#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnc n LEU 58 N 0.00 1.18 -0.04 1.08 -0.00 -1.26 -3.92 117.00 114.05 2pnc n LEU 58 Ca 0.00 -0.35 0.01 0.00 -0.00 0.00 0.00 56.01 55.67 2pnc n LEU 58 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.31 2pnc n LEU 58 CO 0.00 0.23 0.09 0.49 -0.00 0.00 0.00 177.39 178.20 2pnc n PHE 59 N -0.65 0.00 -1.83 1.47 3.72 -1.26 -4.58 117.46 114.33 2pnc n PHE 59 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 2pnc n PHE 59 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 2pnc n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pnc s ALA 60 N -0.89 3.76 0.53 4.37 0.00 -1.25 -4.86 121.76 123.41 2pnc s ALA 60 Ca 0.02 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 2pnc s ALA 60 Cb 0.02 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2pnc s ALA 60 CO 0.08 -0.90 1.29 -0.51 0.00 0.00 0.00 175.76 175.71 2pnc s ASP 61 N 0.65 5.51 0.10 0.00 -0.00 -1.26 -4.88 116.67 116.79 2pnc s ASP 61 Ca 0.65 2.60 -0.35 0.00 -0.00 0.00 0.00 52.55 55.45 2pnc s ASP 61 Cb -0.46 -2.62 -0.15 0.00 -0.00 0.00 0.00 42.92 39.69 2pnc s ASP 61 CO 0.43 -1.39 1.54 0.18 -0.00 0.00 0.00 175.17 175.92 2pnc n LEU 62 N -0.93 2.66 -4.70 1.23 4.77 -1.26 -4.94 117.00 113.82 2pnc n LEU 62 Ca 0.10 1.08 -0.31 0.00 -0.03 0.00 0.00 56.01 56.86 2pnc n LEU 62 Cb 0.46 -1.34 0.14 0.00 -2.33 0.00 0.00 43.42 40.35 2pnc n LEU 62 CO 0.50 -0.50 0.67 -0.94 -1.33 0.00 0.00 177.39 175.79 2pnc s SER 63 N 1.15 3.46 0.29 -1.43 1.04 -1.26 -4.73 113.70 112.22 2pnc s SER 63 Ca 0.82 1.89 0.00 0.00 0.48 0.00 0.00 55.95 59.14 2pnc s SER 63 Cb -0.78 -2.47 0.51 0.00 0.10 0.00 0.00 66.02 63.39 2pnc s SER 63 CO 0.43 -2.71 1.87 -0.09 0.98 0.00 0.00 173.24 173.72 2pnc h ARG 64 N -1.60 1.02 -0.39 4.02 2.43 -1.93 -0.60 114.38 117.34 2pnc h ARG 64 Ca -0.46 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2pnc h ARG 64 Cb 1.26 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 2pnc h ARG 64 CO 0.48 0.68 0.10 1.49 -1.51 0.00 0.00 179.97 181.20 2pnc h GLU 65 N 1.05 0.62 -0.97 0.20 4.81 -2.01 -2.79 114.58 115.49 2pnc h GLU 65 Ca 0.45 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2pnc h GLU 65 Cb 0.32 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2pnc h GLU 65 CO -0.20 0.64 0.64 0.93 -0.73 0.00 0.00 179.01 180.30 2pnc h GLU 66 N 0.48 1.27 -0.65 1.92 5.08 -1.68 -2.39 114.58 118.61 2pnc h GLU 66 Ca 0.12 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2pnc h GLU 66 Cb 0.30 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2pnc h GLU 66 CO 0.00 0.84 0.39 -0.07 -1.00 0.00 0.00 179.01 179.17 2pnc h LEU 67 N 1.31 0.63 -0.63 1.33 4.07 -1.00 -2.61 115.31 118.40 2pnc h LEU 67 Ca 0.36 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.30 2pnc h LEU 67 Cb -0.13 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.46 2pnc h LEU 67 CO -0.08 0.43 0.29 0.74 -1.08 0.00 0.00 178.44 178.73 2pnc h THR 68 N 0.76 1.22 0.07 0.22 2.02 -1.17 -2.40 112.91 113.63 2pnc h THR 68 Ca 0.27 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2pnc h THR 68 Cb 0.06 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2pnc h THR 68 CO -0.12 0.26 -0.16 0.74 0.37 0.00 0.00 175.52 176.61 2pnc h THR 69 N 0.87 0.62 -0.61 3.16 2.02 -1.09 0.13 112.91 118.00 2pnc h THR 69 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 2pnc h THR 69 Cb 0.14 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2pnc h THR 69 CO -0.02 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.79 2pnc h VAL 70 N -0.31 1.00 -0.75 3.16 2.07 -1.43 0.99 116.25 120.97 2pnc h VAL 70 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2pnc h VAL 70 Cb 0.34 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2pnc h VAL 70 CO -0.11 0.12 0.39 0.24 0.02 0.00 0.00 177.57 178.23 2pnc h MET 71 N 0.65 1.05 -0.25 1.57 2.86 -0.97 -0.94 114.93 118.91 2pnc h MET 71 Ca 0.26 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 2pnc h MET 71 Cb 0.12 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2pnc h MET 71 CO -0.15 0.78 -0.46 0.77 1.06 0.00 0.00 176.91 178.91 2pnc h SER 72 N 1.05 0.69 -0.04 1.22 0.02 -0.05 -3.01 113.55 113.43 2pnc h SER 72 Ca 0.26 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2pnc h SER 72 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2pnc h SER 72 CO -0.04 1.05 -0.34 0.15 -1.14 0.00 0.00 176.83 176.50 2pnc h PHE 73 N 0.52 0.61 0.10 3.45 3.04 -0.28 -2.70 116.94 121.68 2pnc h PHE 73 Ca 0.03 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 2pnc h PHE 73 Cb 0.99 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.36 2pnc h PHE 73 CO 0.05 0.80 -0.05 -0.07 -2.02 0.00 0.00 178.31 177.02 2pnc h LEU 74 N 0.45 -0.11 -0.72 0.59 3.38 -1.17 0.02 115.31 117.74 2pnc h LEU 74 Ca 0.05 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.89 2pnc h LEU 74 Cb 0.81 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 2pnc h LEU 74 CO 0.07 0.18 0.34 0.74 0.09 0.00 0.00 178.44 179.86 2pnc h THR 75 N -0.41 0.79 0.00 0.22 2.02 -1.52 0.22 112.91 114.24 2pnc h THR 75 Ca -0.01 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 2pnc h THR 75 Cb 0.34 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2pnc h THR 75 CO 0.02 0.10 -0.72 -0.61 0.37 0.00 0.00 175.52 174.69 2pnc h GLN 76 N 0.56 0.00 0.03 6.66 4.15 -1.42 -3.36 115.11 121.73 2pnc h GLN 76 Ca 0.37 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.43 2pnc h GLN 76 Cb 0.45 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 2pnc h GLN 76 CO -0.31 0.72 -2.23 1.04 -1.93 0.00 0.00 178.83 176.12 2pnc n GLN 77 N -3.44 0.68 -2.31 1.69 1.13 -0.01 -4.95 117.38 110.17 2pnc n GLN 77 Ca 0.00 0.15 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 2pnc n GLN 77 Cb 0.76 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.48 2pnc n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2pnc s LEU 78 N -6.27 4.40 0.06 1.08 1.43 0.74 -4.96 118.68 115.15 2pnc s LEU 78 Ca -0.21 2.22 -0.33 0.00 -1.03 0.00 0.00 54.13 54.78 2pnc s LEU 78 Cb 0.08 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 42.51 2pnc s LEU 78 CO 0.73 -0.50 1.53 1.23 0.23 0.00 0.00 176.35 179.57 2pnc h GLY 79 N 6.18 -1.00 -3.28 -3.19 0.00 -1.91 -3.44 103.07 96.42 2pnc h GLY 79 Ca -0.43 0.37 -0.56 0.00 0.00 0.00 0.00 47.33 46.71 2pnc h GLY 79 CO 0.80 -0.37 0.52 -1.05 0.00 0.00 0.00 176.54 176.45 2pnc n PRO 80 N -5.48 1.81 -2.84 4.80 -0.02 -1.26 -4.97 135.00 127.04 2pnc n PRO 80 Ca -0.14 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2pnc n PRO 80 Cb 0.39 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 2pnc n PRO 80 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2pnc s ASP 81 N -0.71 7.18 -0.01 2.55 2.15 -1.26 -5.04 116.67 121.52 2pnc s ASP 81 Ca 0.66 1.43 -0.03 0.00 0.43 0.00 0.00 52.55 55.04 2pnc s ASP 81 Cb -0.46 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 39.62 2pnc s ASP 81 CO 0.54 -0.26 0.18 -0.76 -0.17 0.00 0.00 175.17 174.70 2pnc s LEU 82 N 1.24 4.37 0.10 -1.34 1.43 -1.26 -4.41 118.68 118.81 2pnc s LEU 82 Ca 0.45 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2pnc s LEU 82 Cb -0.19 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2pnc s LEU 82 CO 0.21 0.27 0.06 -0.69 0.23 0.00 0.00 176.35 176.43 2pnc s VAL 83 N -1.31 4.30 -0.02 -1.59 1.01 0.60 -4.96 120.40 118.43 2pnc s VAL 83 Ca 0.27 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2pnc s VAL 83 Cb -0.13 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 2pnc s VAL 83 CO 0.18 0.07 2.03 -0.67 0.00 0.00 0.00 175.10 176.71 2pnc n ASP 84 N 0.31 3.98 0.31 3.32 4.64 -1.26 -4.28 116.55 123.57 2pnc n ASP 84 Ca -0.09 0.75 0.19 0.00 -1.38 0.00 0.00 54.79 54.26 2pnc n ASP 84 Cb 0.52 -1.53 1.00 0.00 -1.04 0.00 0.00 41.12 40.07 2pnc n ASP 84 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2pnc h ALA 85 N 11.55 1.29 0.00 -1.67 0.00 -1.83 0.12 119.26 128.72 2pnc h ALA 85 Ca -0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2pnc h ALA 85 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2pnc h ALA 85 CO 0.94 -0.17 -0.31 0.00 0.00 0.00 0.00 179.25 179.71 2pnc h ALA 86 N 1.73 1.14 0.00 0.00 0.00 -1.87 -3.19 119.26 117.07 2pnc h ALA 86 Ca 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2pnc h ALA 86 Cb 0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2pnc h ALA 86 CO -0.00 0.38 -0.61 1.04 0.00 0.00 0.00 179.25 180.06 2pnc n GLN 87 N -3.67 1.10 -3.35 0.00 1.13 0.36 -4.37 117.38 108.58 2pnc n GLN 87 Ca -0.01 -2.84 -0.38 0.00 -1.94 0.00 0.00 57.00 51.82 2pnc n GLN 87 Cb 0.42 -1.15 -0.06 0.00 0.11 0.00 0.00 30.24 29.56 2pnc n GLN 87 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pnc s ALA 88 N -2.26 3.60 0.43 -1.58 0.00 -0.82 -4.89 121.76 116.24 2pnc s ALA 88 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2pnc s ALA 88 Cb 0.36 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 2pnc s ALA 88 CO -0.09 0.35 0.64 1.03 0.00 0.00 0.00 175.76 177.70 2pnc s ARG 89 N -0.79 3.18 0.52 0.00 3.00 -1.26 -4.64 118.95 118.96 2pnc s ARG 89 Ca 0.27 -0.45 0.25 0.00 0.00 0.00 0.00 55.73 55.80 2pnc s ARG 89 Cb -0.18 -2.58 1.37 0.00 0.00 0.00 0.00 34.95 33.56 2pnc s ARG 89 CO 0.16 -0.17 1.98 -1.35 0.00 0.00 0.00 175.30 175.93 2pnc h PRO 90 N 0.48 0.04 -0.66 3.54 0.11 -1.93 -1.02 132.00 132.58 2pnc h PRO 90 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pnc h PRO 90 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pnc h PRO 90 CO 0.58 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 2pnc n SER 91 N -4.38 4.09 -4.92 -2.05 3.41 -1.25 -4.46 113.62 104.06 2pnc n SER 91 Ca 0.11 -2.51 -0.22 0.00 -0.26 0.00 0.00 58.87 55.98 2pnc n SER 91 Cb 0.62 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2pnc n SER 91 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pnc s ASP 92 N -0.68 6.08 -0.16 4.04 1.01 -0.39 -2.90 116.67 123.68 2pnc s ASP 92 Ca 0.39 -0.00 -0.18 0.00 0.71 0.00 0.00 52.55 53.47 2pnc s ASP 92 Cb 0.28 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.44 2pnc s ASP 92 CO 0.15 -0.03 0.46 0.20 0.21 0.00 0.00 175.17 176.16 2pnc s ASN 93 N -3.76 6.59 0.03 0.27 0.01 -1.26 -2.43 114.94 114.40 2pnc s ASN 93 Ca 0.34 0.71 -0.22 0.00 -0.71 0.00 0.00 52.86 52.98 2pnc s ASN 93 Cb -0.09 -2.27 0.05 0.00 0.41 0.00 0.00 41.25 39.35 2pnc s ASN 93 CO 0.28 -0.05 0.50 0.00 -1.51 0.00 0.00 177.10 176.31 2pnc s VAL 95 N -2.27 4.79 0.10 0.00 1.01 -1.26 -0.63 120.40 122.14 2pnc s VAL 95 Ca -0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2pnc s VAL 95 Cb -0.01 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2pnc s VAL 95 CO -0.00 -0.78 1.60 0.15 0.00 0.00 0.00 175.10 176.06 2pnc h PHE 96 N 9.00 0.50 -1.95 5.22 3.04 -1.06 -3.40 116.94 128.29 2pnc h PHE 96 Ca -0.27 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2pnc h PHE 96 Cb 1.09 -0.14 -0.20 0.00 2.56 0.00 0.00 35.95 39.27 2pnc h PHE 96 CO 0.76 0.54 0.34 -1.54 -2.02 0.00 0.00 178.31 176.39 2pnc s SER 97 N -5.86 -0.53 -0.02 0.41 1.04 -1.13 0.32 113.70 107.92 2pnc s SER 97 Ca -0.13 0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.81 2pnc s SER 97 Cb 0.08 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2pnc s SER 97 CO 0.74 -0.55 -0.05 0.68 0.98 0.00 0.00 173.24 175.05 2pnc s VAL 98 N -1.50 0.45 0.35 5.02 -7.23 -0.72 -0.10 120.40 116.67 2pnc s VAL 98 Ca -0.06 -0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 59.85 2pnc s VAL 98 Cb -0.00 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.54 2pnc s VAL 98 CO 0.04 0.16 0.61 -1.83 -0.31 0.00 0.00 175.10 173.78 2pnc s GLU 99 N 0.33 2.03 0.14 4.82 -1.05 -1.07 -4.07 118.70 119.83 2pnc s GLU 99 Ca -0.04 -1.57 -0.32 0.00 -0.15 0.00 0.00 54.97 52.89 2pnc s GLU 99 Cb -0.08 0.53 -0.11 0.00 -0.44 0.00 0.00 34.13 34.03 2pnc s GLU 99 CO -0.00 -0.89 1.79 -0.11 0.95 0.00 0.00 175.26 176.99 2pnc n LEU 100 N -0.54 3.92 -4.58 1.83 7.94 -1.26 -0.84 117.00 123.47 2pnc n LEU 100 Ca -0.03 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.46 2pnc n LEU 100 Cb 0.61 -1.53 -0.05 0.00 0.53 0.00 0.00 43.42 42.97 2pnc n LEU 100 CO 0.27 0.12 0.54 -1.58 -1.11 0.00 0.00 177.39 175.64 2pnc s GLN 101 N 2.24 3.73 0.25 1.96 2.00 -0.44 -4.61 119.66 124.79 2pnc s GLN 101 Ca 0.80 0.25 -0.31 0.00 -2.00 0.00 0.00 55.36 54.10 2pnc s GLN 101 Cb -0.52 -3.81 -0.12 0.00 0.80 0.00 0.00 33.01 29.36 2pnc s GLN 101 CO 0.37 -0.84 1.64 1.28 -0.50 0.00 0.00 175.29 177.24 2pnc n LEU 102 N 6.35 4.06 -4.78 3.68 7.99 -1.26 -4.44 117.00 128.60 2pnc n LEU 102 Ca 0.02 1.11 -0.33 0.00 -0.01 0.00 0.00 56.01 56.80 2pnc n LEU 102 Cb 0.48 -1.57 0.05 0.00 -0.11 0.00 0.00 43.42 42.27 2pnc n LEU 102 CO 0.53 0.10 0.73 -2.16 -1.51 0.00 0.00 177.39 175.08 2pnc s PRO 103 N 0.26 2.84 0.34 3.23 0.04 -1.26 -4.99 135.00 135.46 2pnc s PRO 103 Ca 0.70 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2pnc s PRO 103 Cb -0.52 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2pnc s PRO 103 CO 0.41 -1.21 1.53 -2.30 0.04 0.00 0.00 177.00 175.48 2pnc n PRO 104 N -2.50 2.69 -0.18 0.56 -0.02 -1.26 -4.92 135.00 129.37 2pnc n PRO 104 Ca 0.10 0.95 -0.07 0.00 -2.02 0.00 0.00 63.50 62.45 2pnc n PRO 104 Cb 0.52 -2.70 0.02 0.00 -0.02 0.00 0.00 33.50 31.32 2pnc n PRO 104 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pnc h LYS 105 N 3.71 0.71 -0.50 -0.52 3.64 -1.99 -2.02 116.57 119.61 2pnc h LYS 105 Ca -0.49 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2pnc h LYS 105 Cb 1.23 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 2pnc h LYS 105 CO 0.70 0.54 0.25 0.00 -2.27 0.00 0.00 179.45 178.67 2pnc h ALA 106 N 1.13 0.64 0.00 5.00 0.00 -1.99 0.18 119.26 124.22 2pnc h ALA 106 Ca 0.18 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2pnc h ALA 106 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2pnc h ALA 106 CO -0.03 -0.10 -0.51 0.00 0.00 0.00 0.00 179.25 178.60 2pnc h ALA 107 N 1.27 0.95 -0.06 0.00 0.00 -1.93 -1.66 119.26 117.83 2pnc h ALA 107 Ca 0.22 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2pnc h ALA 107 Cb 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pnc h ALA 107 CO -0.16 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.36 2pnc h ALA 108 N 1.49 0.13 -0.07 0.00 0.00 -0.57 -2.77 119.26 117.46 2pnc h ALA 108 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2pnc h ALA 108 Cb 1.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2pnc h ALA 108 CO 0.07 0.23 -0.58 -0.07 0.00 0.00 0.00 179.25 178.89 2pnc h LEU 109 N -0.14 0.25 -1.08 0.00 3.38 -0.70 0.12 115.31 117.14 2pnc h LEU 109 Ca -0.03 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2pnc h LEU 109 Cb 1.04 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2pnc h LEU 109 CO 0.08 0.77 0.60 0.00 0.09 0.00 0.00 178.44 179.98 2pnc h ALA 110 N 1.23 1.33 -0.03 1.53 0.00 -1.35 0.71 119.26 122.67 2pnc h ALA 110 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2pnc h ALA 110 Cb 1.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pnc h ALA 110 CO 0.09 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 181.00 2pnc h HIS 111 N 1.25 0.26 -0.10 0.00 -0.00 -1.18 -1.60 115.15 113.78 2pnc h HIS 111 Ca 0.34 -0.12 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 2pnc h HIS 111 Cb -0.13 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 2pnc h HIS 111 CO 0.00 0.85 -0.30 -0.07 -0.00 0.00 0.00 177.93 178.41 2pnc h LEU 112 N -0.41 0.19 0.00 0.26 3.38 -0.56 -3.04 115.31 115.13 2pnc h LEU 112 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2pnc h LEU 112 Cb 0.89 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2pnc h LEU 112 CO 0.04 0.50 -1.19 0.47 0.09 0.00 0.00 178.44 178.35 2pnc n ASP 113 N -4.13 4.17 -0.16 -0.43 8.00 0.22 -4.74 116.55 119.49 2pnc n ASP 113 Ca -0.01 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.50 2pnc n ASP 113 Cb 0.39 0.95 0.03 0.00 -0.02 0.00 0.00 41.12 42.47 2pnc n ASP 113 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pnc n ARG 114 N -1.81 1.15 -1.22 -1.24 1.74 -0.67 -4.99 116.66 109.61 2pnc n ARG 114 Ca -0.02 -1.16 -0.08 0.00 -0.77 0.00 0.00 57.85 55.82 2pnc n ARG 114 Cb 0.29 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 2pnc n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 115 N 0.00 0.96 3.77 -0.13 0.00 -1.06 -4.94 105.19 103.80 2pnc n GLY 115 Ca 0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2pnc n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnc s SER 116 N -2.78 4.57 0.74 1.61 0.01 -0.81 -4.95 113.70 112.09 2pnc s SER 116 Ca 0.00 1.73 -0.14 0.00 1.31 0.00 0.00 55.95 58.85 2pnc s SER 116 Cb 0.00 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2pnc s SER 116 CO 0.00 -1.98 1.19 -2.84 0.41 0.00 0.00 173.24 170.02 2pnc s PRO 117 N -4.94 2.08 0.69 12.44 0.02 -1.26 -4.16 135.00 139.87 2pnc s PRO 117 Ca 0.61 1.70 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 2pnc s PRO 117 Cb -0.17 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.54 2pnc s PRO 117 CO 0.56 -1.86 1.18 -1.25 -0.33 0.00 0.00 177.00 175.29 2pnc s PRO 118 N -4.02 2.43 0.74 5.54 0.04 -1.26 -4.51 135.00 133.96 2pnc s PRO 118 Ca 0.73 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 2pnc s PRO 118 Cb -0.28 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2pnc s PRO 118 CO 0.46 -1.59 1.11 -2.14 0.04 0.00 0.00 177.00 174.89 2pnc s PRO 119 N -3.90 2.32 -0.12 0.56 0.02 -1.26 -4.89 135.00 127.72 2pnc s PRO 119 Ca 0.72 1.32 -0.34 0.00 0.02 0.00 0.00 61.00 62.73 2pnc s PRO 119 Cb -0.27 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 2pnc s PRO 119 CO 0.43 -1.62 1.94 0.00 -0.33 0.00 0.00 177.00 177.42 2pnc n ALA 120 N -3.15 0.98 -2.28 -1.55 0.00 -1.26 -4.89 120.51 108.35 2pnc n ALA 120 Ca 0.10 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 2pnc n ALA 120 Cb 0.52 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2pnc n ALA 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pnc s ARG 121 N 4.49 4.28 0.15 0.00 3.52 -1.26 -4.95 118.95 125.17 2pnc s ARG 121 Ca 0.95 1.88 0.05 0.00 -0.13 0.00 0.00 55.73 58.49 2pnc s ARG 121 Cb -0.67 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 2pnc s ARG 121 CO 0.50 -0.59 -0.12 -1.21 -0.81 0.00 0.00 175.30 173.08 2pnc s GLU 122 N 2.62 1.08 0.12 5.12 2.02 -1.26 -0.93 118.70 127.47 2pnc s GLU 122 Ca 0.62 -1.41 0.09 0.00 0.02 0.00 0.00 54.97 54.29 2pnc s GLU 122 Cb -0.29 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 2pnc s GLU 122 CO 0.24 0.11 -0.23 0.00 0.02 0.00 0.00 175.26 175.41 2pnc s ALA 123 N -2.96 2.05 -0.24 5.21 0.00 0.99 -1.33 121.76 125.47 2pnc s ALA 123 Ca 0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 2pnc s ALA 123 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2pnc s ALA 123 CO 0.02 0.42 -0.03 -1.17 0.00 0.00 0.00 175.76 175.00 2pnc s LEU 124 N -2.02 3.13 -0.16 0.00 2.96 -0.02 0.25 118.68 122.81 2pnc s LEU 124 Ca 0.10 -0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2pnc s LEU 124 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2pnc s LEU 124 CO 0.05 -0.09 0.10 0.00 -1.32 0.00 0.00 176.35 175.10 2pnc s ALA 125 N 1.42 3.61 -0.30 5.97 0.00 0.16 -2.59 121.76 130.03 2pnc s ALA 125 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2pnc s ALA 125 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2pnc s ALA 125 CO -0.03 0.32 0.18 0.42 0.00 0.00 0.00 175.76 176.65 2pnc s ILE 126 N -0.10 5.01 -0.13 0.00 1.01 0.85 0.09 121.20 127.95 2pnc s ILE 126 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2pnc s ILE 126 Cb -0.12 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2pnc s ILE 126 CO 0.01 0.13 -0.15 -0.69 0.00 0.00 0.00 174.94 174.23 2pnc s VAL 127 N 1.69 2.84 -0.56 2.92 1.01 0.29 -0.37 120.40 128.23 2pnc s VAL 127 Ca 0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2pnc s VAL 127 Cb -0.17 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.09 2pnc s VAL 127 CO 0.09 0.53 0.83 -0.36 0.00 0.00 0.00 175.10 176.19 2pnc s PHE 128 N 0.40 2.87 -1.19 5.22 2.99 0.20 -1.07 117.98 127.40 2pnc s PHE 128 Ca -0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 56.93 56.40 2pnc s PHE 128 Cb -0.16 -3.93 0.22 0.00 0.00 0.00 0.00 43.02 39.15 2pnc s PHE 128 CO 0.06 -1.30 1.56 1.19 -0.00 0.00 0.00 175.22 176.73 2pnc n PHE 129 N 7.03 3.63 1.02 0.36 0.99 0.38 -2.20 117.46 128.66 2pnc n PHE 129 Ca -0.02 -3.05 0.11 0.00 -0.00 0.00 0.00 57.45 54.49 2pnc n PHE 129 Cb 0.46 -1.80 0.15 0.00 -1.00 0.00 0.00 39.48 37.29 2pnc n PHE 129 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pnc n GLY 130 N 2.73 -1.10 2.68 1.37 0.00 -1.02 -1.71 105.19 108.14 2pnc n GLY 130 Ca 0.33 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2pnc n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 131 N 1.49 5.95 3.42 -0.02 0.00 -1.14 -4.23 105.19 110.66 2pnc n GLY 131 Ca 0.06 -2.52 -0.11 0.00 0.00 0.00 0.00 46.02 43.44 2pnc n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pnc s GLN 132 N -4.06 1.25 0.30 1.61 -2.07 -1.26 -4.92 119.66 110.51 2pnc s GLN 132 Ca 0.43 -0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 53.37 2pnc s GLN 132 Cb 0.24 0.55 0.65 0.00 -1.09 0.00 0.00 33.01 33.36 2pnc s GLN 132 CO -0.18 -0.53 1.54 -2.30 -1.32 0.00 0.00 175.29 172.50 2pnc n PRO 133 N -0.34 -0.08 -3.85 9.60 -0.02 -1.26 -3.73 135.00 135.32 2pnc n PRO 133 Ca -0.16 1.50 -0.30 0.00 -2.02 0.00 0.00 63.50 62.52 2pnc n PRO 133 Cb 0.64 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 2pnc n PRO 133 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pnc s GLN 134 N -6.07 1.11 0.35 -0.52 -0.21 -1.26 -5.12 119.66 107.93 2pnc s GLN 134 Ca -0.13 -1.12 -0.27 0.00 0.02 0.00 0.00 55.36 53.85 2pnc s GLN 134 Cb 0.28 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 2pnc s GLN 134 CO 0.77 -0.83 1.18 -1.25 -2.12 0.00 0.00 175.29 173.04 2pnc s PRO 135 N 1.45 4.31 0.14 2.91 0.04 -1.24 -5.02 135.00 137.59 2pnc s PRO 135 Ca 0.04 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2pnc s PRO 135 Cb -0.18 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 2pnc s PRO 135 CO -0.15 -0.12 0.22 0.54 0.04 0.00 0.00 177.00 177.53 2pnc s ASN 136 N -0.91 0.12 -0.21 6.66 2.20 -0.69 -4.29 114.94 117.81 2pnc s ASN 136 Ca 0.51 -0.91 -0.08 0.00 -0.94 0.00 0.00 52.86 51.44 2pnc s ASN 136 Cb -0.33 0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 39.27 2pnc s ASN 136 CO 0.42 -0.83 0.08 -0.69 -2.94 0.00 0.00 177.10 173.15 2pnc s VAL 137 N -3.97 4.77 -0.06 3.54 1.01 -0.50 -0.47 120.40 124.74 2pnc s VAL 137 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.18 2pnc s VAL 137 Cb 0.04 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2pnc s VAL 137 CO -0.01 0.40 -0.25 -0.89 0.00 0.00 0.00 175.10 174.35 2pnc s THR 138 N 0.85 2.05 -0.30 3.92 2.01 -0.23 -3.72 115.64 120.22 2pnc s THR 138 Ca 0.04 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 2pnc s THR 138 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2pnc s THR 138 CO 0.03 0.57 0.19 -1.61 -0.69 0.00 0.00 174.62 173.10 2pnc s GLU 139 N -0.17 3.70 -0.22 4.92 2.02 -1.26 -0.55 118.70 127.14 2pnc s GLU 139 Ca -0.03 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 2pnc s GLU 139 Cb -0.14 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 2pnc s GLU 139 CO 0.04 -0.29 0.01 -0.51 0.02 0.00 0.00 175.26 174.52 2pnc s LEU 140 N 1.72 3.24 -0.31 1.80 1.43 0.11 -1.48 118.68 125.19 2pnc s LEU 140 Ca 0.06 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2pnc s LEU 140 Cb -0.16 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2pnc s LEU 140 CO 0.10 0.02 0.71 -0.69 0.23 0.00 0.00 176.35 176.72 2pnc s VAL 141 N 1.25 4.86 -0.06 -1.59 1.01 0.11 0.38 120.40 126.37 2pnc s VAL 141 Ca 0.04 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.05 2pnc s VAL 141 Cb -0.15 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2pnc s VAL 141 CO 0.01 -0.21 -0.15 -0.69 0.00 0.00 0.00 175.10 174.06 2pnc s VAL 142 N 2.80 2.95 -2.40 2.92 1.01 0.14 -1.03 120.40 126.79 2pnc s VAL 142 Ca 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2pnc s VAL 142 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2pnc s VAL 142 CO 0.12 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.42 2pnc n GLY 143 N 2.45 -1.75 3.86 4.51 0.00 -1.16 -0.01 105.19 113.09 2pnc n GLY 143 Ca -0.17 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 2pnc n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnc s PRO 144 N -1.64 3.80 0.63 1.61 0.04 -1.26 -1.95 135.00 136.23 2pnc s PRO 144 Ca 0.00 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 2pnc s PRO 144 Cb 0.00 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2pnc s PRO 144 CO 0.00 0.60 1.10 -0.51 0.04 0.00 0.00 177.00 178.24 2pnc s LEU 145 N -1.63 3.46 0.06 -3.56 1.43 -0.11 -2.70 118.68 115.62 2pnc s LEU 145 Ca 0.30 1.99 0.28 0.00 -1.03 0.00 0.00 54.13 55.67 2pnc s LEU 145 Cb -0.15 -4.55 1.10 0.00 0.03 0.00 0.00 46.19 42.62 2pnc s LEU 145 CO 0.16 -1.50 1.87 -0.81 0.23 0.00 0.00 176.35 176.31 2pnc n PRO 146 N -2.20 0.08 -3.86 1.29 -0.04 -1.26 -4.61 135.00 124.40 2pnc n PRO 146 Ca 0.10 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 2pnc n PRO 146 Cb 0.52 -1.59 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 2pnc n PRO 146 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2pnc s GLN 147 N -3.03 1.08 0.45 0.54 2.00 -1.10 -4.99 119.66 114.62 2pnc s GLN 147 Ca 0.13 -1.40 -0.24 0.00 -2.00 0.00 0.00 55.36 51.85 2pnc s GLN 147 Cb 0.17 -2.53 -0.07 0.00 0.80 0.00 0.00 33.01 31.38 2pnc s GLN 147 CO 0.55 -0.94 1.28 -2.14 -0.50 0.00 0.00 175.29 173.54 2pnc s PRO 148 N 1.31 3.73 0.00 1.67 0.02 -1.19 -4.37 135.00 136.17 2pnc s PRO 148 Ca 0.09 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2pnc s PRO 148 Cb -0.18 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.79 2pnc s PRO 148 CO -0.17 -0.67 0.07 -1.13 -0.33 0.00 0.00 177.00 174.78 2pnc n SER 149 N -0.29 0.14 -4.03 2.53 3.41 -0.82 -4.88 113.62 109.67 2pnc n SER 149 Ca 0.06 -0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.13 2pnc n SER 149 Cb 0.45 0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.65 2pnc n SER 149 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2pnc s TYR 150 N -0.35 0.40 -0.33 7.33 -0.85 -0.93 -5.04 117.35 117.58 2pnc s TYR 150 Ca 0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 2pnc s TYR 150 Cb 0.00 -0.30 0.14 0.00 0.38 0.00 0.00 41.96 42.18 2pnc s TYR 150 CO 0.00 -0.35 0.28 1.41 -1.52 0.00 0.00 175.55 175.37 2pnc s MET 151 N -3.24 0.44 -0.24 -3.49 1.75 -1.26 -2.99 119.30 110.27 2pnc s MET 151 Ca 0.01 -0.67 -0.08 0.00 -1.25 0.00 0.00 55.69 53.70 2pnc s MET 151 Cb 0.03 -0.89 -0.03 0.00 2.84 0.00 0.00 34.83 36.78 2pnc s MET 151 CO -0.08 -1.12 0.09 1.03 -0.65 0.00 0.00 175.02 174.30 2pnc s ARG 152 N 1.77 3.77 -0.53 4.11 3.00 -0.20 -4.90 118.95 125.96 2pnc s ARG 152 Ca 0.13 -0.42 -0.28 0.00 0.00 0.00 0.00 55.73 55.16 2pnc s ARG 152 Cb -0.16 -3.36 0.01 0.00 0.00 0.00 0.00 34.95 31.43 2pnc s ARG 152 CO -0.18 -0.10 1.40 0.34 0.00 0.00 0.00 175.30 176.76 2pnc s ASP 153 N 1.41 6.19 -0.07 0.23 3.68 -1.26 0.09 116.67 126.94 2pnc s ASP 153 Ca 0.06 0.37 0.19 0.00 2.13 0.00 0.00 52.55 55.30 2pnc s ASP 153 Cb -0.15 -2.55 0.66 0.00 -1.45 0.00 0.00 42.92 39.44 2pnc s ASP 153 CO 0.05 -1.64 1.57 1.33 0.13 0.00 0.00 175.17 176.60 2pnc n VAL 154 N 6.89 1.53 0.07 1.11 0.24 -0.55 -4.70 118.33 122.93 2pnc n VAL 154 Ca 0.13 -1.15 -0.04 0.00 -2.04 0.00 0.00 64.34 61.24 2pnc n VAL 154 Cb 0.49 0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 33.09 2pnc n VAL 154 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2pnc h THR 155 N 3.93 0.00 -0.92 3.34 2.02 -1.89 -0.04 112.91 119.34 2pnc h THR 155 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2pnc h THR 155 Cb 1.26 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 2pnc h THR 155 CO 0.14 0.00 0.59 0.58 0.37 0.00 0.00 175.52 177.20 2pnc h VAL 156 N -0.25 0.82 -0.29 3.16 2.07 -1.84 -1.09 116.25 118.82 2pnc h VAL 156 Ca -0.02 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2pnc h VAL 156 Cb 0.21 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2pnc h VAL 156 CO -0.01 0.13 0.14 -0.08 0.02 0.00 0.00 177.57 177.76 2pnc h GLU 157 N 0.72 0.28 0.00 1.57 4.81 -1.78 0.13 114.58 120.31 2pnc h GLU 157 Ca 0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2pnc h GLU 157 Cb 0.75 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2pnc h GLU 157 CO -0.23 0.19 -0.48 0.00 -0.73 0.00 0.00 179.01 177.75 2pnc h ARG 158 N 0.29 0.00 0.00 1.92 3.08 0.11 -3.38 114.38 116.39 2pnc h ARG 158 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2pnc h ARG 158 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2pnc h ARG 158 CO -0.10 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.52 2pnc n HIS 159 N -2.44 0.00 0.00 3.04 8.25 -0.52 -5.01 115.22 118.55 2pnc n HIS 159 Ca 0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2pnc n HIS 159 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2pnc n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pnc n GLY 160 N -0.02 2.88 1.19 -1.41 0.00 0.45 -4.88 105.19 103.41 2pnc n GLY 160 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pnc n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 161 N -1.98 1.29 3.79 -0.02 0.00 -1.24 -4.95 105.19 102.08 2pnc n GLY 161 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 2pnc n GLY 161 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pnc s PRO 162 N -2.02 3.26 -0.40 1.61 0.02 -1.26 -3.81 135.00 132.40 2pnc s PRO 162 Ca 0.06 1.37 -0.23 0.00 0.02 0.00 0.00 61.00 62.22 2pnc s PRO 162 Cb -0.01 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.51 2pnc s PRO 162 CO 0.02 -0.88 0.77 -0.51 -0.33 0.00 0.00 177.00 176.07 2pnc s LEU 163 N -4.28 4.20 0.27 -5.54 1.43 -1.24 -5.02 118.68 108.50 2pnc s LEU 163 Ca 0.67 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 2pnc s LEU 163 Cb -0.19 -2.97 -0.14 0.00 0.03 0.00 0.00 46.19 42.92 2pnc s LEU 163 CO 0.33 -0.80 1.04 -2.65 0.23 0.00 0.00 176.35 174.50 2pnc n PRO 164 N 6.51 1.33 0.19 1.29 -0.02 -1.26 -1.41 135.00 141.64 2pnc n PRO 164 Ca 0.02 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 2pnc n PRO 164 Cb 0.48 -1.86 0.58 0.00 -0.02 0.00 0.00 33.50 32.68 2pnc n PRO 164 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2pnc h TYR 165 N 2.22 0.00 0.00 6.00 5.03 -1.90 -2.45 116.97 125.87 2pnc h TYR 165 Ca -0.40 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.91 2pnc h TYR 165 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.62 2pnc h TYR 165 CO 0.49 0.00 -0.26 2.48 -1.32 0.00 0.00 178.16 179.54 2pnc n TYR 166 N -2.60 0.02 0.45 -3.82 0.18 -1.26 -3.38 117.16 106.75 2pnc n TYR 166 Ca 0.01 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.92 2pnc n TYR 166 Cb 0.26 -0.38 0.28 0.00 -0.38 0.00 0.00 39.34 39.12 2pnc n TYR 166 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnc h ARG 167 N 0.00 0.00 -6.90 -3.48 3.08 -1.73 -3.44 114.38 101.90 2pnc h ARG 167 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2pnc h ARG 167 Cb 0.51 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.65 2pnc h ARG 167 CO 0.00 0.00 0.81 -0.98 -1.07 0.00 0.00 179.97 178.73 2pnc s ARG 168 N -3.16 4.12 0.54 0.04 1.70 -1.22 -4.47 118.95 116.50 2pnc s ARG 168 Ca 0.08 2.57 -0.21 0.00 -0.47 0.00 0.00 55.73 57.70 2pnc s ARG 168 Cb 0.09 -2.99 -0.06 0.00 -0.57 0.00 0.00 34.95 31.43 2pnc s ARG 168 CO 0.64 -0.55 1.15 -2.30 -1.08 0.00 0.00 175.30 173.15 2pnc n PRO 169 N 0.96 1.34 -2.08 3.89 -0.02 -1.26 -4.90 135.00 132.92 2pnc n PRO 169 Ca 0.03 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2pnc n PRO 169 Cb 0.39 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2pnc n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pnc s VAL 170 N -1.37 3.67 0.72 -1.45 1.01 -1.26 -4.97 120.40 116.74 2pnc s VAL 170 Ca 0.71 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 63.30 2pnc s VAL 170 Cb -0.44 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2pnc s VAL 170 CO 0.50 -0.24 1.17 0.18 0.00 0.00 0.00 175.10 176.72 2pnc n LEU 171 N 8.24 4.83 -0.32 3.92 4.32 -1.26 -4.85 117.00 131.88 2pnc n LEU 171 Ca 0.19 0.71 -0.04 0.00 -0.02 0.00 0.00 56.01 56.85 2pnc n LEU 171 Cb 0.45 -1.50 0.08 0.00 -1.62 0.00 0.00 43.42 40.83 2pnc n LEU 171 CO 0.64 -1.51 1.19 0.25 -1.22 0.00 0.00 177.39 176.74 2pnc h LEU 172 N -0.13 1.05 -1.71 2.23 5.85 -1.92 -0.89 115.31 119.78 2pnc h LEU 172 Ca -0.48 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 2pnc h LEU 172 Cb 1.33 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2pnc h LEU 172 CO 0.49 0.82 -0.17 -0.09 -0.34 0.00 0.00 178.44 179.15 2pnc h ARG 173 N 1.19 0.00 -0.25 1.25 9.65 -1.84 -1.96 114.38 122.42 2pnc h ARG 173 Ca 0.31 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 59.00 2pnc h ARG 173 Cb -0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2pnc h ARG 173 CO -0.06 0.17 -0.59 1.49 2.80 0.00 0.00 179.97 183.78 2pnc h GLU 174 N 0.00 0.82 -0.55 0.20 4.81 -1.46 -2.17 114.58 116.23 2pnc h GLU 174 Ca -0.00 -0.54 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 2pnc h GLU 174 Cb 0.43 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2pnc h GLU 174 CO 0.02 1.17 0.23 1.88 -0.73 0.00 0.00 179.01 181.59 2pnc h TYR 175 N 0.61 0.82 -0.41 0.92 -1.99 -0.72 -1.33 116.97 114.88 2pnc h TYR 175 Ca 0.00 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 2pnc h TYR 175 Cb 1.20 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 2pnc h TYR 175 CO 0.07 0.66 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.66 2pnc h LEU 176 N 0.75 0.78 -0.95 3.88 3.38 -1.36 -0.68 115.31 121.09 2pnc h LEU 176 Ca 0.19 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2pnc h LEU 176 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2pnc h LEU 176 CO -0.02 0.94 -0.51 0.44 0.09 0.00 0.00 178.44 179.38 2pnc h ASP 177 N 0.69 0.00 -0.25 -0.43 3.32 -1.27 -1.30 116.42 117.18 2pnc h ASP 177 Ca 0.11 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 2pnc h ASP 177 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2pnc h ASP 177 CO 0.05 0.51 -0.36 0.40 -1.72 0.00 0.00 179.24 178.12 2pnc h ILE 178 N 0.00 1.28 -0.41 0.35 2.04 -0.79 -2.74 117.51 117.24 2pnc h ILE 178 Ca -0.01 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.29 2pnc h ILE 178 Cb 0.93 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2pnc h ILE 178 CO 0.07 0.50 0.10 0.44 0.00 0.00 0.00 178.15 179.25 2pnc h ASP 179 N 0.65 0.63 -0.22 1.72 5.19 -0.76 -1.59 116.42 122.03 2pnc h ASP 179 Ca 0.06 -0.24 0.06 0.00 -0.62 0.00 0.00 57.03 56.29 2pnc h ASP 179 Cb 0.91 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 2pnc h ASP 179 CO 0.08 0.70 -0.16 1.56 -3.12 0.00 0.00 179.24 178.30 2pnc h GLN 180 N 0.53 -0.15 -0.42 3.56 1.08 -1.22 0.89 115.11 119.38 2pnc h GLN 180 Ca 0.13 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2pnc h GLN 180 Cb 0.32 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 2pnc h GLN 180 CO 0.00 -0.10 0.19 1.98 -0.95 0.00 0.00 178.83 179.95 2pnc h MET 181 N -0.16 0.38 0.36 1.46 4.05 -1.34 0.42 114.93 120.10 2pnc h MET 181 Ca 0.13 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2pnc h MET 181 Cb 0.35 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2pnc h MET 181 CO -0.32 0.25 -0.17 0.82 0.23 0.00 0.00 176.91 177.72 2pnc h ILE 182 N 0.39 0.65 -0.02 1.77 2.04 -0.85 -0.93 117.51 120.57 2pnc h ILE 182 Ca 0.19 -0.36 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 2pnc h ILE 182 Cb 0.12 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2pnc h ILE 182 CO -0.15 0.07 -0.80 -0.26 0.00 0.00 0.00 178.15 177.02 2pnc h PHE 183 N -0.69 0.29 0.00 1.37 -1.00 -0.75 0.31 116.94 116.47 2pnc h PHE 183 Ca -0.05 -0.14 -0.23 0.00 2.81 0.00 0.00 57.97 60.35 2pnc h PHE 183 Cb 0.48 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 2pnc h PHE 183 CO -0.00 0.91 -2.06 0.09 -1.61 0.00 0.00 178.31 175.64 2pnc n ASN 184 N -3.72 0.22 -0.36 2.17 5.03 0.15 -4.49 115.26 114.26 2pnc n ASN 184 Ca -0.03 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.52 2pnc n ASN 184 Cb 0.75 1.03 0.00 0.00 -1.02 0.00 0.00 39.78 40.54 2pnc n ASN 184 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2pnc n ARG 185 N -2.67 0.05 0.04 3.52 1.85 -0.43 -4.85 116.66 114.18 2pnc n ARG 185 Ca -0.20 -0.92 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 2pnc n ARG 185 Cb 0.94 -0.53 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 2pnc n ARG 185 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2pnc n GLU 186 N -0.04 0.00 -0.32 2.89 -0.58 -0.75 -4.90 120.64 116.95 2pnc n GLU 186 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2pnc n GLU 186 Cb 0.65 -0.25 0.08 0.00 -0.57 0.00 0.00 31.44 31.36 2pnc n GLU 186 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pnc h LEU 187 N 0.00 1.00 -2.56 -4.62 3.38 -0.63 -2.27 115.31 109.61 2pnc h LEU 187 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pnc h LEU 187 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pnc h LEU 187 CO 0.00 0.72 0.11 -0.65 0.09 0.00 0.00 178.44 178.71 2pnc h PRO 188 N 1.18 0.00 0.00 1.13 0.11 -1.81 -0.20 132.00 132.41 2pnc h PRO 188 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2pnc h PRO 188 Cb -0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2pnc h PRO 188 CO -0.07 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.76 2pnc n GLN 189 N -3.31 0.41 -2.23 1.05 6.02 -0.85 -2.83 117.38 115.63 2pnc n GLN 189 Ca -0.02 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.02 2pnc n GLN 189 Cb 0.19 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.00 2pnc n GLN 189 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pnc n ALA 190 N -1.22 2.88 -0.14 -1.58 0.00 -0.09 -4.50 120.51 115.86 2pnc n ALA 190 Ca 0.12 -2.80 -0.09 0.00 0.00 0.00 0.00 53.44 50.68 2pnc n ALA 190 Cb 0.16 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 2pnc n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc h ALA 191 N 2.01 0.54 -0.48 0.00 0.00 -1.48 -1.04 119.26 118.81 2pnc h ALA 191 Ca -0.09 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2pnc h ALA 191 Cb 1.46 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2pnc h ALA 191 CO 0.22 0.10 0.04 0.78 0.00 0.00 0.00 179.25 180.39 2pnc h GLY 192 N 0.53 0.53 2.00 0.00 0.00 -1.90 1.90 103.07 106.14 2pnc h GLY 192 Ca 0.14 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 2pnc h GLY 192 CO -0.02 -0.10 -0.63 -0.24 0.00 0.00 0.00 176.54 175.55 2pnc h VAL 193 N 0.17 1.20 0.13 4.60 3.04 -1.90 -2.59 116.25 120.90 2pnc h VAL 193 Ca 0.24 -2.37 -0.29 0.00 -1.01 0.00 0.00 66.70 63.26 2pnc h VAL 193 Cb 0.34 2.38 0.03 0.00 -2.01 0.00 0.00 31.29 32.03 2pnc h VAL 193 CO -0.36 0.62 -1.23 -0.07 -1.01 0.00 0.00 177.57 175.51 2pnc h LEU 194 N 0.00 0.85 -0.87 3.16 4.07 -0.11 -1.46 115.31 120.95 2pnc h LEU 194 Ca -0.01 -0.84 0.11 0.00 0.08 0.00 0.00 57.88 57.23 2pnc h LEU 194 Cb 1.33 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.72 2pnc h LEU 194 CO 0.08 1.61 0.50 0.45 -1.08 0.00 0.00 178.44 180.00 2pnc h HIS 195 N 0.22 0.90 0.62 1.13 3.86 0.29 0.87 115.15 123.05 2pnc h HIS 195 Ca -0.19 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 2pnc h HIS 195 Cb 1.91 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 30.12 2pnc h HIS 195 CO 0.12 0.33 -0.30 1.25 0.86 0.00 0.00 177.93 180.20 2pnc h HIS 196 N 0.80 -0.78 -0.25 2.45 6.17 -1.38 -2.65 115.15 119.50 2pnc h HIS 196 Ca 0.43 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.42 2pnc h HIS 196 Cb 0.45 0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 2pnc h HIS 196 CO -0.05 -0.45 -0.13 0.00 0.71 0.00 0.00 177.93 178.01 2pnc n SER 199 N 0.24 -0.54 -4.58 0.00 2.88 -1.00 -4.64 113.62 105.98 2pnc n SER 199 Ca 0.08 -1.26 -0.42 0.00 -1.33 0.00 0.00 58.87 55.94 2pnc n SER 199 Cb 1.08 -1.76 -0.03 0.00 -0.75 0.00 0.00 64.21 62.75 2pnc n SER 199 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2pnc s TYR 200 N -4.12 2.23 0.00 0.66 5.04 -1.06 -3.67 117.35 116.43 2pnc s TYR 200 Ca 0.13 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2pnc s TYR 200 Cb -0.07 -4.33 0.00 0.00 0.35 0.00 0.00 41.96 37.90 2pnc s TYR 200 CO 0.98 -2.07 0.00 1.63 -1.34 0.00 0.00 175.55 174.75 2pnc n LYS 201 N 8.55 0.00 -2.39 4.97 5.02 -1.26 -4.46 118.16 128.59 2pnc n LYS 201 Ca 0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 2pnc n LYS 201 Cb 0.49 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2pnc n LYS 201 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2pnc n GLN 202 N -1.97 3.77 -1.91 1.97 0.00 -1.25 -4.56 117.38 113.43 2pnc n GLN 202 Ca 0.00 -3.64 -0.18 0.00 -0.00 0.00 0.00 57.00 53.18 2pnc n GLN 202 Cb 0.00 -2.86 -0.05 0.00 0.00 0.00 0.00 30.24 27.33 2pnc n GLN 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pnc n GLY 203 N 2.56 0.76 0.00 1.69 0.00 -1.26 -4.94 105.19 104.00 2pnc n GLY 203 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2pnc n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 204 N -0.60 3.59 3.81 -0.02 0.00 -1.26 -5.12 105.19 105.59 2pnc n GLY 204 Ca -0.20 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 2pnc n GLY 204 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pnc s GLN 205 N 2.90 2.01 0.04 1.61 -1.52 -1.24 -4.87 119.66 118.59 2pnc s GLN 205 Ca 0.00 0.55 -0.04 0.00 -1.95 0.00 0.00 55.36 53.91 2pnc s GLN 205 Cb 0.00 -1.92 -0.05 0.00 -0.22 0.00 0.00 33.01 30.83 2pnc s GLN 205 CO 0.00 -1.65 0.26 0.21 -0.25 0.00 0.00 175.29 173.86 2pnc s LYS 206 N -5.21 3.54 0.32 2.91 2.47 -1.26 -4.42 119.74 118.08 2pnc s LYS 206 Ca 0.61 -0.19 0.08 0.00 -1.56 0.00 0.00 55.97 54.90 2pnc s LYS 206 Cb -0.14 -3.03 -0.03 0.00 -1.46 0.00 0.00 37.83 33.17 2pnc s LYS 206 CO 0.54 0.61 0.22 -0.51 0.16 0.00 0.00 175.35 176.36 2pnc s LEU 207 N -2.13 3.52 0.20 5.43 1.02 -1.26 0.72 118.68 126.17 2pnc s LEU 207 Ca 0.32 -0.54 -0.05 0.00 0.02 0.00 0.00 54.13 53.88 2pnc s LEU 207 Cb -0.13 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 2pnc s LEU 207 CO 0.21 -0.27 0.21 -1.48 0.02 0.00 0.00 176.35 175.04 2pnc s LEU 208 N -3.91 1.03 0.15 1.79 0.05 0.21 -4.64 118.68 113.36 2pnc s LEU 208 Ca 0.38 -1.20 0.07 0.00 0.05 0.00 0.00 54.13 53.43 2pnc s LEU 208 Cb -0.05 0.77 -0.04 0.00 -2.05 0.00 0.00 46.19 44.82 2pnc s LEU 208 CO 0.25 -0.90 -0.03 0.42 -0.55 0.00 0.00 176.35 175.54 2pnc s THR 209 N -4.09 3.64 -0.02 5.48 -4.23 -1.26 0.00 115.64 115.16 2pnc s THR 209 Ca 0.31 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 2pnc s THR 209 Cb 0.05 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2pnc s THR 209 CO 0.08 -0.02 -0.20 -0.32 -0.54 0.00 0.00 174.62 173.62 2pnc s MET 210 N -2.67 1.74 0.49 3.99 1.75 -0.53 -4.94 119.30 119.13 2pnc s MET 210 Ca 0.26 -0.73 -0.06 0.00 -1.25 0.00 0.00 55.69 53.90 2pnc s MET 210 Cb -0.10 -1.64 -0.04 0.00 2.84 0.00 0.00 34.83 35.89 2pnc s MET 210 CO 0.17 0.41 0.81 1.21 -0.65 0.00 0.00 175.02 176.98 2pnc s ASN 211 N -0.40 6.27 0.18 1.11 2.47 -1.26 -2.01 114.94 121.29 2pnc s ASN 211 Ca 0.06 0.99 -0.08 0.00 0.42 0.00 0.00 52.86 54.25 2pnc s ASN 211 Cb -0.09 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.42 2pnc s ASN 211 CO -0.00 -0.60 0.27 -0.94 -3.72 0.00 0.00 177.10 172.11 2pnc s SER 212 N -4.08 0.06 -0.04 -4.21 1.04 -1.25 -4.94 113.70 100.29 2pnc s SER 212 Ca 0.48 -0.97 -0.25 0.00 0.48 0.00 0.00 55.95 55.69 2pnc s SER 212 Cb -0.10 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2pnc s SER 212 CO 0.45 -0.90 0.55 0.00 0.98 0.00 0.00 173.24 174.32 2pnc s ALA 213 N -4.00 -1.43 1.03 5.32 0.00 -1.26 -4.72 121.76 116.70 2pnc s ALA 213 Ca 0.21 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 2pnc s ALA 213 Cb 0.04 0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.25 2pnc s ALA 213 CO 0.03 -0.33 0.43 -0.35 0.00 0.00 0.00 175.76 175.54 2pnc n PRO 214 N 1.07 -0.92 -3.53 0.00 -0.04 -1.26 -0.54 135.00 129.79 2pnc n PRO 214 Ca -0.20 -0.67 -0.28 0.00 -0.04 0.00 0.00 63.50 62.31 2pnc n PRO 214 Cb 0.57 -0.51 -0.09 0.00 -0.04 0.00 0.00 33.50 33.43 2pnc n PRO 214 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pnc n ARG 215 N -2.22 2.44 -0.65 0.54 1.74 -1.26 -4.83 116.66 112.43 2pnc n ARG 215 Ca 0.06 -4.62 0.00 0.00 -0.77 0.00 0.00 57.85 52.51 2pnc n ARG 215 Cb 0.20 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2pnc n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 216 N 1.18 0.73 0.00 -0.13 0.00 -0.94 -1.08 105.19 104.95 2pnc n GLY 216 Ca 0.27 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2pnc n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pnc n VAL 217 N 9.00 0.00 -3.81 1.61 0.24 -1.26 -5.03 118.33 119.08 2pnc n VAL 217 Ca 0.00 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.34 61.87 2pnc n VAL 217 Cb 0.00 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2pnc n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pnc s GLN 218 N -0.20 1.48 0.36 7.34 -2.07 -1.26 -5.08 119.66 120.23 2pnc s GLN 218 Ca 0.00 -0.88 -0.28 0.00 -1.82 0.00 0.00 55.36 52.38 2pnc s GLN 218 Cb 0.00 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.28 2pnc s GLN 218 CO 0.00 -0.69 1.38 -1.12 -1.32 0.00 0.00 175.29 173.55 2pnc s SER 219 N -3.08 6.52 0.00 12.60 0.01 -1.26 -2.54 113.70 125.95 2pnc s SER 219 Ca 0.15 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.25 2pnc s SER 219 Cb -0.03 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2pnc s SER 219 CO 0.05 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2pnc n GLY 220 N 0.64 1.56 3.75 3.44 0.00 -1.26 -5.05 105.19 108.27 2pnc n GLY 220 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2pnc n GLY 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnc s ASP 221 N -1.78 7.48 -0.37 1.61 1.01 -1.05 -4.98 116.67 118.60 2pnc s ASP 221 Ca 0.00 2.03 0.13 0.00 0.71 0.00 0.00 52.55 55.42 2pnc s ASP 221 Cb 0.00 -2.61 0.39 0.00 1.01 0.00 0.00 42.92 41.71 2pnc s ASP 221 CO 0.00 0.01 0.83 -1.14 0.21 0.00 0.00 175.17 175.08 2pnc n ARG 222 N 1.69 1.26 -4.04 8.23 0.63 -1.08 -4.68 116.66 118.68 2pnc n ARG 222 Ca -0.01 -3.47 -0.33 0.00 -0.92 0.00 0.00 57.85 53.12 2pnc n ARG 222 Cb 0.47 -1.60 -0.15 0.00 0.45 0.00 0.00 32.46 31.62 2pnc n ARG 222 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2pnc s SER 223 N -2.77 4.06 -0.12 6.15 0.01 -0.24 -0.96 113.70 119.83 2pnc s SER 223 Ca 0.36 -1.02 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 2pnc s SER 223 Cb 0.38 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2pnc s SER 223 CO -0.05 -0.12 -0.06 -0.89 0.41 0.00 0.00 173.24 172.53 2pnc s THR 224 N 1.23 3.75 -0.48 1.44 2.01 -0.90 -2.22 115.64 120.47 2pnc s THR 224 Ca -0.02 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 2pnc s THR 224 Cb -0.17 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.76 2pnc s THR 224 CO -0.07 0.54 1.40 0.26 -0.69 0.00 0.00 174.62 176.07 2pnc s TRP 225 N -0.15 2.37 -0.22 4.92 0.52 -1.26 -2.09 118.94 123.02 2pnc s TRP 225 Ca 0.02 0.59 -0.09 0.00 0.02 0.00 0.00 56.10 56.64 2pnc s TRP 225 Cb -0.13 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.79 2pnc s TRP 225 CO 0.03 -1.94 0.12 -0.06 0.02 0.00 0.00 176.95 175.12 2pnc s PHE 226 N 5.69 3.27 0.24 -1.98 0.08 -0.35 -3.75 117.98 121.18 2pnc s PHE 226 Ca 0.57 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.66 2pnc s PHE 226 Cb -0.12 -2.21 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 2pnc s PHE 226 CO 0.29 0.04 0.52 0.20 -0.10 0.00 0.00 175.22 176.17 2pnc s GLY 227 N 0.91 2.05 -0.19 4.36 0.00 -0.85 -0.81 107.32 112.80 2pnc s GLY 227 Ca 0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 44.23 2pnc s GLY 227 CO 0.03 -0.37 0.06 -0.42 0.00 0.00 0.00 173.10 172.40 2pnc s ILE 228 N -1.92 4.65 0.17 0.90 -1.09 -0.09 -1.45 121.20 122.37 2pnc s ILE 228 Ca 0.44 -0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.83 2pnc s ILE 228 Cb -0.11 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.62 2pnc s ILE 228 CO 0.26 0.44 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.02 2pnc s TYR 229 N 0.57 1.37 0.52 3.97 2.02 0.10 -1.42 117.35 124.48 2pnc s TYR 229 Ca 0.03 -0.78 -0.21 0.00 -0.37 0.00 0.00 57.07 55.73 2pnc s TYR 229 Cb -0.13 -0.72 -0.06 0.00 -0.40 0.00 0.00 41.96 40.65 2pnc s TYR 229 CO 0.01 0.07 1.16 0.71 -1.57 0.00 0.00 175.55 175.94 2pnc s TYR 230 N -3.32 2.71 -0.43 2.71 4.12 -0.96 0.68 117.35 122.86 2pnc s TYR 230 Ca 0.20 1.53 0.06 0.00 0.02 0.00 0.00 57.07 58.88 2pnc s TYR 230 Cb 0.03 -3.36 0.44 0.00 -1.52 0.00 0.00 41.96 37.55 2pnc s TYR 230 CO 0.03 -1.66 1.36 -1.71 0.02 0.00 0.00 175.55 173.59 2pnc n ASN 231 N -1.00 3.62 -4.66 2.29 4.05 0.22 -4.48 115.26 115.30 2pnc n ASN 231 Ca 0.10 -2.72 -0.50 0.00 0.45 0.00 0.00 54.58 51.92 2pnc n ASN 231 Cb 0.49 -0.65 -0.05 0.00 1.23 0.00 0.00 39.78 40.80 2pnc n ASN 231 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnc n ILE 232 N 0.00 0.49 -1.74 -1.44 3.06 -1.26 -4.79 119.36 113.69 2pnc n ILE 232 Ca 0.24 -0.13 -0.33 0.00 -2.50 0.00 0.00 62.75 60.03 2pnc n ILE 232 Cb 0.97 -1.79 0.05 0.00 0.54 0.00 0.00 39.64 39.41 2pnc n ILE 232 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2pnc n THR 233 N 5.42 3.28 -0.83 9.51 -1.04 -1.26 -4.58 114.28 124.78 2pnc n THR 233 Ca 0.26 -3.74 0.00 0.00 -2.04 0.00 0.00 64.05 58.52 2pnc n THR 233 Cb 0.27 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 2pnc n THR 233 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pnc n LYS 234 N -0.74 3.50 -1.44 -2.82 5.02 -1.26 -4.97 118.16 115.45 2pnc n LYS 234 Ca 0.54 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.48 2pnc n LYS 234 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.55 2pnc n LYS 234 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pnc n GLY 235 N 5.00 1.49 0.00 0.72 0.00 -1.26 -4.40 105.19 106.74 2pnc n GLY 235 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2pnc n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 236 N 5.18 2.94 0.09 -0.02 0.00 -1.26 -4.84 105.19 107.27 2pnc n GLY 236 Ca 0.47 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2pnc n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnc h PRO 237 N 0.00 0.00 -2.18 1.61 0.13 -1.81 -3.39 132.00 126.37 2pnc h PRO 237 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2pnc h PRO 237 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2pnc h PRO 237 CO 0.00 0.47 1.15 0.66 -0.23 0.00 0.00 178.00 180.04 2pnc n TYR 238 N -4.54 2.54 0.12 1.56 4.01 -1.26 -4.07 117.16 115.52 2pnc n TYR 238 Ca -0.18 -2.39 0.02 0.00 -0.16 0.00 0.00 57.90 55.19 2pnc n TYR 238 Cb 0.45 -1.35 0.02 0.00 -0.31 0.00 0.00 39.34 38.14 2pnc n TYR 238 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pnc n LEU 239 N 0.32 1.40 -3.47 7.72 4.32 -1.26 -1.90 117.00 124.12 2pnc n LEU 239 Ca 0.52 -1.12 -0.27 0.00 -0.02 0.00 0.00 56.01 55.13 2pnc n LEU 239 Cb 0.31 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 42.01 2pnc n LEU 239 CO 0.50 0.32 -0.23 1.41 -1.22 0.00 0.00 177.39 178.17 2pnc n HIS 240 N 0.14 0.35 -2.36 -1.77 8.25 -1.26 -5.00 115.22 113.57 2pnc n HIS 240 Ca 0.02 -3.62 -0.41 0.00 -0.26 0.00 0.00 57.72 53.46 2pnc n HIS 240 Cb 0.11 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 2pnc n HIS 240 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2pnc s PRO 241 N -0.62 4.54 0.18 -0.41 0.04 -1.26 -2.27 135.00 135.19 2pnc s PRO 241 Ca 0.32 1.93 0.24 0.00 0.04 0.00 0.00 61.00 63.53 2pnc s PRO 241 Cb 0.05 -3.16 0.34 0.00 0.04 0.00 0.00 34.50 31.77 2pnc s PRO 241 CO -0.17 0.06 1.36 0.28 0.04 0.00 0.00 177.00 178.57 2pnc h VAL 242 N 3.17 0.00 0.00 -0.36 2.07 -1.61 -3.44 116.25 116.09 2pnc h VAL 242 Ca -0.47 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2pnc h VAL 242 Cb 1.22 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2pnc h VAL 242 CO 0.68 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.88 2pnc n GLY 243 N 1.28 0.56 3.24 2.17 0.00 -1.26 -4.74 105.19 106.44 2pnc n GLY 243 Ca 0.03 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2pnc n GLY 243 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 244 N 0.00 3.80 -0.03 0.99 2.96 -1.26 0.92 118.68 126.06 2pnc s LEU 244 Ca 0.00 -1.02 0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2pnc s LEU 244 Cb 0.00 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2pnc s LEU 244 CO 0.00 -0.23 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.94 2pnc s GLU 245 N 1.36 2.21 -0.11 1.98 2.02 0.55 -0.91 118.70 125.80 2pnc s GLU 245 Ca -0.01 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.09 2pnc s GLU 245 Cb -0.18 -2.08 -0.00 0.00 0.10 0.00 0.00 34.13 31.97 2pnc s GLU 245 CO -0.00 0.53 -0.22 -0.51 0.02 0.00 0.00 175.26 175.08 2pnc s LEU 246 N -0.52 2.21 -0.73 1.80 1.43 0.01 -0.45 118.68 122.43 2pnc s LEU 246 Ca 0.07 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2pnc s LEU 246 Cb -0.11 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.78 2pnc s LEU 246 CO 0.00 0.15 0.88 -0.22 0.23 0.00 0.00 176.35 177.39 2pnc s LEU 247 N 0.41 5.27 -0.38 1.79 0.20 0.08 -1.21 118.68 124.84 2pnc s LEU 247 Ca -0.16 -1.68 -0.15 0.00 0.69 0.00 0.00 54.13 52.83 2pnc s LEU 247 Cb -0.17 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 2pnc s LEU 247 CO 0.07 -1.10 0.32 0.54 -0.29 0.00 0.00 176.35 175.89 2pnc s VAL 248 N 2.64 5.22 -0.51 1.68 0.11 -0.89 0.98 120.40 129.63 2pnc s VAL 248 Ca 0.20 -0.36 -0.28 0.00 -2.93 0.00 0.00 61.98 58.61 2pnc s VAL 248 Cb -0.15 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.83 2pnc s VAL 248 CO 0.01 -0.21 1.49 -0.62 -3.33 0.00 0.00 175.10 172.44 2pnc s ASP 249 N 1.72 6.07 -0.29 3.54 -1.08 0.22 -2.12 116.67 124.74 2pnc s ASP 249 Ca 0.08 0.52 0.07 0.00 -0.52 0.00 0.00 52.55 52.69 2pnc s ASP 249 Cb -0.18 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 2pnc s ASP 249 CO 0.11 -1.71 1.20 0.00 0.52 0.00 0.00 175.17 175.29 2pnc n HIS 250 N 9.78 2.61 0.07 -5.34 1.44 -0.13 -1.96 115.22 121.68 2pnc n HIS 250 Ca 0.15 -2.19 -0.10 0.00 -2.01 0.00 0.00 57.72 53.57 2pnc n HIS 250 Cb 0.49 -0.34 -0.13 0.00 0.12 0.00 0.00 29.99 30.13 2pnc n HIS 250 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2pnc h LYS 251 N 2.12 0.09 -6.85 -1.40 3.64 -1.89 -3.46 116.57 108.81 2pnc h LYS 251 Ca 0.35 -0.15 -0.53 0.00 -1.27 0.00 0.00 60.65 59.05 2pnc h LYS 251 Cb 1.51 0.06 0.08 0.00 -0.41 0.00 0.00 32.23 33.46 2pnc h LYS 251 CO 0.73 1.06 0.75 0.00 -2.27 0.00 0.00 179.45 179.72 2pnc s ALA 252 N -2.69 3.60 0.10 5.00 0.00 -1.26 -4.90 121.76 121.60 2pnc s ALA 252 Ca -0.01 1.43 0.34 0.00 0.00 0.00 0.00 51.96 53.72 2pnc s ALA 252 Cb 0.09 -3.57 1.42 0.00 0.00 0.00 0.00 23.12 21.06 2pnc s ALA 252 CO 0.84 -0.85 1.99 -0.07 0.00 0.00 0.00 175.76 177.67 2pnc h LEU 253 N 3.94 0.00 -8.36 0.00 4.07 -1.92 -3.38 115.31 109.65 2pnc h LEU 253 Ca -0.48 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 56.76 2pnc h LEU 253 Cb 1.23 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.73 2pnc h LEU 253 CO 0.71 0.00 -0.46 -0.62 -1.08 0.00 0.00 178.44 176.99 2pnc s ASP 254 N -5.52 5.88 0.55 -0.43 3.68 -1.26 -3.89 116.67 115.69 2pnc s ASP 254 Ca 0.01 -1.08 0.27 0.00 2.13 0.00 0.00 52.55 53.88 2pnc s ASP 254 Cb 0.09 -2.08 1.45 0.00 -1.45 0.00 0.00 42.92 40.93 2pnc s ASP 254 CO 0.52 -0.46 1.98 -0.65 0.13 0.00 0.00 175.17 176.69 2pnc h PRO 255 N 8.53 0.00 0.00 4.34 0.11 -1.99 0.36 132.00 143.35 2pnc h PRO 255 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2pnc h PRO 255 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pnc h PRO 255 CO 0.73 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2pnc n ALA 256 N -2.56 1.38 0.87 -0.75 0.00 -1.26 -1.54 120.51 116.65 2pnc n ALA 256 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.61 2pnc n ALA 256 Cb 0.62 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 2pnc n ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pnc n ASP 257 N -1.58 1.39 -4.77 0.00 9.92 0.13 -4.96 116.55 116.68 2pnc n ASP 257 Ca 0.02 -1.19 -0.40 0.00 -0.53 0.00 0.00 54.79 52.69 2pnc n ASP 257 Cb 0.10 0.72 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2pnc n ASP 257 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2pnc s TRP 258 N -2.47 2.67 0.11 1.24 0.51 -0.59 -4.90 118.94 115.51 2pnc s TRP 258 Ca 0.12 1.34 0.01 0.00 -2.12 0.00 0.00 56.10 55.45 2pnc s TRP 258 Cb 0.15 -3.79 -0.04 0.00 -0.81 0.00 0.00 33.47 28.98 2pnc s TRP 258 CO 0.62 -2.46 -0.03 0.95 -0.51 0.00 0.00 176.95 175.52 2pnc s THR 259 N -1.23 0.50 -0.29 2.01 -4.23 -0.83 -4.99 115.64 106.58 2pnc s THR 259 Ca 0.58 -1.91 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 2pnc s THR 259 Cb -0.41 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2pnc s THR 259 CO 0.53 -0.77 0.39 0.68 -0.54 0.00 0.00 174.62 174.91 2pnc s VAL 260 N -3.76 5.15 -0.73 2.29 -7.23 -1.26 0.71 120.40 115.57 2pnc s VAL 260 Ca 0.15 0.48 0.24 0.00 -1.81 0.00 0.00 61.98 61.04 2pnc s VAL 260 Cb 0.06 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 2pnc s VAL 260 CO -0.03 0.08 1.26 0.00 -0.31 0.00 0.00 175.10 176.09 2pnc n GLN 261 N 5.39 0.21 -3.63 4.82 1.13 0.28 -4.90 117.38 120.68 2pnc n GLN 261 Ca -0.08 0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 54.97 2pnc n GLN 261 Cb 0.50 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 2pnc n GLN 261 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2pnc s LYS 262 N -3.13 0.22 -0.01 -1.09 2.20 -1.24 -4.89 119.74 111.80 2pnc s LYS 262 Ca 0.07 0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.88 2pnc s LYS 262 Cb 0.15 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2pnc s LYS 262 CO 0.74 -0.05 -0.22 0.14 -0.36 0.00 0.00 175.35 175.60 2pnc s VAL 263 N -0.56 2.42 -0.21 4.02 -7.23 0.41 -0.74 120.40 118.50 2pnc s VAL 263 Ca 0.06 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.14 2pnc s VAL 263 Cb -0.03 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.01 2pnc s VAL 263 CO -0.08 0.52 -0.10 0.12 -0.31 0.00 0.00 175.10 175.24 2pnc s PHE 264 N -0.71 2.91 -0.21 2.82 5.36 0.40 -0.14 117.98 128.41 2pnc s PHE 264 Ca 0.11 -1.26 0.01 0.00 -0.96 0.00 0.00 56.93 54.83 2pnc s PHE 264 Cb -0.10 -2.04 0.05 0.00 -0.34 0.00 0.00 43.02 40.59 2pnc s PHE 264 CO 0.01 -0.66 -0.09 0.12 -1.46 0.00 0.00 175.22 173.14 2pnc s PHE 265 N 1.39 2.46 -1.62 10.12 2.19 0.14 -0.33 117.98 132.34 2pnc s PHE 265 Ca 0.05 -1.69 -0.05 0.00 0.33 0.00 0.00 56.93 55.57 2pnc s PHE 265 Cb -0.14 -1.63 0.05 0.00 -1.31 0.00 0.00 43.02 39.99 2pnc s PHE 265 CO -0.07 -0.76 0.14 1.04 1.83 0.00 0.00 175.22 177.41 2pnc n GLN 266 N 4.66 -1.00 0.00 10.12 6.02 0.26 -2.19 117.38 135.26 2pnc n GLN 266 Ca -0.14 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2pnc n GLN 266 Cb 0.45 -3.86 0.00 0.00 1.02 0.00 0.00 30.24 27.85 2pnc n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnc n GLY 267 N -2.25 3.42 3.68 1.08 0.00 -1.26 -5.02 105.19 104.84 2pnc n GLY 267 Ca -0.23 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 2pnc n GLY 267 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pnc s ARG 268 N 0.00 2.32 0.07 1.61 1.70 -0.93 -5.10 118.95 118.62 2pnc s ARG 268 Ca 0.00 -1.49 0.01 0.00 -0.47 0.00 0.00 55.73 53.78 2pnc s ARG 268 Cb 0.00 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 32.19 2pnc s ARG 268 CO 0.00 0.25 0.21 0.71 -1.08 0.00 0.00 175.30 175.38 2pnc s TYR 269 N -2.38 3.49 0.04 5.89 1.51 -1.26 -0.68 117.35 123.96 2pnc s TYR 269 Ca 0.34 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 2pnc s TYR 269 Cb -0.04 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2pnc s TYR 269 CO 0.21 0.58 -0.05 0.71 -1.11 0.00 0.00 175.55 175.89 2pnc s TYR 270 N -1.53 0.51 0.26 2.71 1.51 0.81 -4.96 117.35 116.65 2pnc s TYR 270 Ca 0.34 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2pnc s TYR 270 Cb -0.13 -0.33 0.35 0.00 -0.11 0.00 0.00 41.96 41.74 2pnc s TYR 270 CO 0.28 -0.18 1.74 0.93 -1.11 0.00 0.00 175.55 177.20 2pnc h GLU 271 N 4.14 0.68 -2.98 -0.62 4.39 -1.91 0.12 114.58 118.41 2pnc h GLU 271 Ca -0.34 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.21 2pnc h GLU 271 Cb 1.19 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.73 2pnc h GLU 271 CO 0.48 0.77 0.24 0.54 -1.16 0.00 0.00 179.01 179.88 2pnc s ASN 272 N -6.72 -0.24 0.44 1.42 2.20 -1.26 -3.88 114.94 106.91 2pnc s ASN 272 Ca -0.09 -0.65 0.22 0.00 -0.94 0.00 0.00 52.86 51.41 2pnc s ASN 272 Cb 0.14 0.73 0.99 0.00 -2.00 0.00 0.00 41.25 41.11 2pnc s ASN 272 CO 0.81 -1.36 1.87 -0.07 -2.94 0.00 0.00 177.10 175.41 2pnc h LEU 273 N 2.00 0.00 -0.74 3.54 3.38 -1.92 -2.49 115.31 119.07 2pnc h LEU 273 Ca -0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2pnc h LEU 273 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2pnc h LEU 273 CO 0.24 0.25 -0.41 0.00 0.09 0.00 0.00 178.44 178.62 2pnc h ALA 274 N 1.75 0.92 -0.45 1.53 0.00 -1.94 -1.84 119.26 119.23 2pnc h ALA 274 Ca -0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2pnc h ALA 274 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2pnc h ALA 274 CO 0.03 0.63 -0.26 0.37 0.00 0.00 0.00 179.25 180.03 2pnc h GLN 275 N 0.39 0.97 -0.53 0.00 4.15 -1.83 -3.06 115.11 115.20 2pnc h GLN 275 Ca 0.03 -0.44 -0.05 0.00 0.77 0.00 0.00 58.65 58.96 2pnc h GLN 275 Cb 0.88 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 2pnc h GLN 275 CO 0.07 1.11 0.14 1.25 -1.93 0.00 0.00 178.83 179.47 2pnc h LEU 276 N 0.81 0.79 -0.56 -2.39 5.85 -1.36 -3.00 115.31 115.46 2pnc h LEU 276 Ca 0.10 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2pnc h LEU 276 Cb 0.84 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2pnc h LEU 276 CO 0.07 0.82 0.24 -0.08 -0.34 0.00 0.00 178.44 179.15 2pnc h GLU 277 N 0.74 0.83 -0.23 1.25 4.57 -1.31 -1.80 114.58 118.63 2pnc h GLU 277 Ca 0.17 -0.14 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 2pnc h GLU 277 Cb 0.33 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2pnc h GLU 277 CO 0.00 0.70 -0.63 1.05 -1.18 0.00 0.00 179.01 178.95 2pnc h GLU 278 N 0.76 0.81 -0.50 1.92 4.11 -1.56 0.35 114.58 120.47 2pnc h GLU 278 Ca 0.19 -0.57 -0.02 0.00 0.07 0.00 0.00 59.36 59.04 2pnc h GLU 278 Cb 0.17 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2pnc h GLU 278 CO -0.02 1.19 0.24 1.96 0.07 0.00 0.00 179.01 182.45 2pnc h GLN 279 N 0.60 0.70 0.13 1.06 4.20 -1.49 0.46 115.11 120.77 2pnc h GLN 279 Ca -0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2pnc h GLN 279 Cb 1.24 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2pnc h GLN 279 CO 0.13 0.54 -0.06 0.35 -0.67 0.00 0.00 178.83 179.12 2pnc h PHE 280 N 0.70 -0.17 -0.93 2.96 3.57 -1.02 1.07 116.94 123.12 2pnc h PHE 280 Ca 0.18 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.78 2pnc h PHE 280 Cb 0.07 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 2pnc h PHE 280 CO 0.01 0.09 0.60 0.93 -2.23 0.00 0.00 178.31 177.70 2pnc h GLU 281 N -0.41 0.88 -0.36 1.11 4.39 -0.44 0.24 114.58 119.98 2pnc h GLU 281 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2pnc h GLU 281 Cb 0.33 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2pnc h GLU 281 CO 0.03 0.58 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 2pnc n ALA 282 N -2.39 2.51 -3.71 3.43 0.00 0.16 -4.85 120.51 115.66 2pnc n ALA 282 Ca 0.16 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 2pnc n ALA 282 Cb 0.33 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.82 2pnc n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnc n GLY 283 N 0.35 -0.51 0.56 0.00 0.00 0.07 -4.87 105.19 100.78 2pnc n GLY 283 Ca 0.01 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2pnc n GLY 283 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pnc n GLN 284 N -4.62 1.26 -4.37 1.61 6.02 0.37 -4.95 117.38 112.70 2pnc n GLN 284 Ca 0.02 -1.29 -0.29 0.00 -0.01 0.00 0.00 57.00 55.43 2pnc n GLN 284 Cb 0.54 -1.28 -0.17 0.00 1.02 0.00 0.00 30.24 30.36 2pnc n GLN 284 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pnc s VAL 285 N -1.37 1.50 -0.28 5.09 1.01 -1.17 -4.88 120.40 120.29 2pnc s VAL 285 Ca 0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 2pnc s VAL 285 Cb 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2pnc s VAL 285 CO 0.23 0.44 0.91 0.21 0.00 0.00 0.00 175.10 176.89 2pnc s ASN 286 N 1.09 6.85 -0.25 3.32 3.04 -1.26 -4.88 114.94 122.84 2pnc s ASN 286 Ca -0.04 0.97 -0.07 0.00 0.04 0.00 0.00 52.86 53.76 2pnc s ASN 286 Cb -0.14 -2.47 -0.03 0.00 -1.54 0.00 0.00 41.25 37.07 2pnc s ASN 286 CO -0.03 -0.67 0.06 -0.69 -3.04 0.00 0.00 177.10 172.74 2pnc s VAL 287 N 3.14 4.26 -0.24 -5.21 1.01 -1.26 -5.04 120.40 117.06 2pnc s VAL 287 Ca 0.38 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2pnc s VAL 287 Cb -0.14 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2pnc s VAL 287 CO 0.11 0.34 0.87 -0.69 0.00 0.00 0.00 175.10 175.73 2pnc s VAL 288 N 1.61 4.80 0.07 2.92 1.01 -1.26 -4.96 120.40 124.58 2pnc s VAL 288 Ca 0.06 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 2pnc s VAL 288 Cb -0.15 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2pnc s VAL 288 CO 0.03 -0.11 1.24 0.54 0.00 0.00 0.00 175.10 176.80 2pnc s VAL 289 N 2.93 3.89 -0.26 2.92 0.11 -1.26 -4.75 120.40 123.99 2pnc s VAL 289 Ca 0.37 1.36 -0.05 0.00 -2.93 0.00 0.00 61.98 60.73 2pnc s VAL 289 Cb -0.15 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.84 2pnc s VAL 289 CO 0.07 0.10 0.00 -0.63 -3.33 0.00 0.00 175.10 171.32 2pnc s ILE 290 N 1.12 3.51 0.06 7.04 1.01 -0.22 -5.06 121.20 128.66 2pnc s ILE 290 Ca 0.60 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 2pnc s ILE 290 Cb -0.31 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 2pnc s ILE 290 CO 0.29 0.24 0.43 -2.16 0.00 0.00 0.00 174.94 173.74 2pnc s PRO 291 N 1.45 3.86 0.00 2.79 0.04 -1.26 -4.66 135.00 137.23 2pnc s PRO 291 Ca 0.03 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2pnc s PRO 291 Cb -0.16 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2pnc s PRO 291 CO -0.01 0.60 0.00 -3.47 0.04 0.00 0.00 177.00 174.16 2pnc n ASP 292 N 1.24 0.00 0.00 6.66 2.03 -1.26 -5.12 116.55 120.09 2pnc n ASP 292 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2pnc n ASP 292 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2pnc n ASP 292 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2pnc n ARG 321 N 0.00 -1.68 -3.66 -0.67 0.63 -1.26 -4.97 116.66 105.05 2pnc n ARG 321 Ca 0.00 0.41 -0.14 0.00 -0.92 0.00 0.00 57.85 57.20 2pnc n ARG 321 Cb 0.00 -4.87 -0.07 0.00 0.45 0.00 0.00 32.46 27.97 2pnc n ARG 321 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2pnc s PHE 322 N -0.98 -0.32 -0.16 -0.14 -0.71 -1.26 -4.23 117.98 110.18 2pnc s PHE 322 Ca 0.00 0.41 -0.01 0.00 -1.04 0.00 0.00 56.93 56.28 2pnc s PHE 322 Cb 0.00 0.23 0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2pnc s PHE 322 CO 0.00 -0.53 -0.02 -1.54 -1.34 0.00 0.00 175.22 171.79 2pnc s SER 323 N -1.68 2.65 -0.12 1.98 1.04 -0.54 -4.97 113.70 112.06 2pnc s SER 323 Ca -0.09 -0.61 -0.22 0.00 0.48 0.00 0.00 55.95 55.51 2pnc s SER 323 Cb -0.02 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.32 2pnc s SER 323 CO 0.02 -0.22 0.67 0.54 0.98 0.00 0.00 173.24 175.23 2pnc s VAL 324 N 1.75 5.03 -0.25 5.02 0.11 -1.26 -2.66 120.40 128.14 2pnc s VAL 324 Ca 0.01 1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 60.38 2pnc s VAL 324 Cb -0.15 -4.00 0.11 0.00 -1.53 0.00 0.00 36.38 30.81 2pnc s VAL 324 CO -0.07 0.19 0.23 -1.10 -3.33 0.00 0.00 175.10 171.02 2pnc s GLN 325 N 1.26 0.24 7.02 1.54 -0.21 -0.75 -5.02 119.66 123.74 2pnc s GLN 325 Ca 0.34 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.64 2pnc s GLN 325 Cb -0.17 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.83 2pnc s GLN 325 CO 0.14 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 2pnc n GLY 326 N 5.30 1.39 1.38 3.09 0.00 -1.26 -3.26 105.19 111.83 2pnc n GLY 326 Ca -0.04 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.53 2pnc n GLY 326 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pnc n ASN 327 N 7.87 4.18 -4.18 1.61 6.94 -1.26 -4.94 115.26 125.48 2pnc n ASN 327 Ca 0.00 -2.18 -0.34 0.00 -0.02 0.00 0.00 54.58 52.05 2pnc n ASN 327 Cb 0.00 -0.50 -0.15 0.00 -2.36 0.00 0.00 39.78 36.76 2pnc n ASN 327 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2pnc s ARG 328 N -1.33 3.11 -0.17 -3.83 6.06 -1.20 -0.61 118.95 120.97 2pnc s ARG 328 Ca 0.48 -0.77 -0.09 0.00 -2.50 0.00 0.00 55.73 52.84 2pnc s ARG 328 Cb 0.27 -2.69 -0.05 0.00 0.06 0.00 0.00 34.95 32.55 2pnc s ARG 328 CO 0.29 -0.19 0.14 0.08 -2.50 0.00 0.00 175.30 173.12 2pnc s VAL 329 N 1.30 5.43 -0.09 7.11 1.01 -0.64 -1.82 120.40 132.70 2pnc s VAL 329 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 2pnc s VAL 329 Cb -0.14 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2pnc s VAL 329 CO -0.09 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.53 2pnc s ALA 330 N -0.05 0.57 0.00 5.51 0.00 -1.09 -2.38 121.76 124.33 2pnc s ALA 330 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2pnc s ALA 330 Cb -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2pnc s ALA 330 CO 0.00 -0.66 0.00 -1.13 0.00 0.00 0.00 175.76 173.97 2pnc n SER 331 N 5.20 0.99 0.21 0.00 3.41 -0.15 -1.47 113.62 121.81 2pnc n SER 331 Ca -0.06 -0.61 0.09 0.00 -0.26 0.00 0.00 58.87 58.03 2pnc n SER 331 Cb 0.49 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.82 2pnc n SER 331 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pnc h SER 332 N 0.00 0.00 0.00 4.04 4.64 -2.00 -3.36 113.55 116.87 2pnc h SER 332 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2pnc h SER 332 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pnc h SER 332 CO 0.00 0.23 -1.07 0.18 -0.87 0.00 0.00 176.83 175.30 2pnc n LEU 333 N -3.31 0.00 -4.52 5.97 4.77 -1.26 -4.81 117.00 113.84 2pnc n LEU 333 Ca 0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 2pnc n LEU 333 Cb 0.48 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2pnc n LEU 333 CO 0.34 0.03 -0.47 0.26 -1.33 0.00 0.00 177.39 176.22 2pnc s TRP 334 N -2.03 2.61 -0.12 -1.77 0.52 -1.26 0.19 118.94 117.08 2pnc s TRP 334 Ca -0.01 -0.22 -0.05 0.00 0.02 0.00 0.00 56.10 55.84 2pnc s TRP 334 Cb 0.00 -1.38 0.06 0.00 -1.15 0.00 0.00 33.47 31.00 2pnc s TRP 334 CO 0.04 0.39 0.26 0.99 0.02 0.00 0.00 176.95 178.66 2pnc s THR 335 N -1.16 -0.27 -0.10 2.01 2.01 -0.26 -0.98 115.64 116.89 2pnc s THR 335 Ca 0.19 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.18 2pnc s THR 335 Cb -0.11 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.04 2pnc s THR 335 CO 0.11 0.10 0.57 0.72 -0.69 0.00 0.00 174.62 175.43 2pnc s PHE 336 N 1.98 -0.55 -0.21 4.92 -0.71 -1.00 0.13 117.98 122.53 2pnc s PHE 336 Ca -0.03 1.10 -0.15 0.00 -1.04 0.00 0.00 56.93 56.81 2pnc s PHE 336 Cb -0.11 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 2pnc s PHE 336 CO -0.09 -0.46 0.35 -1.12 -1.34 0.00 0.00 175.22 172.56 2pnc s SER 337 N -0.71 6.37 0.42 1.98 0.01 0.12 -1.62 113.70 120.28 2pnc s SER 337 Ca -0.08 0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.69 2pnc s SER 337 Cb -0.03 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2pnc s SER 337 CO 0.06 -0.04 0.40 0.72 0.41 0.00 0.00 173.24 174.78 2pnc s PHE 338 N 1.22 2.70 0.00 2.43 -0.12 0.22 0.20 117.98 124.62 2pnc s PHE 338 Ca 0.17 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 2pnc s PHE 338 Cb -0.14 -2.19 0.00 0.00 -0.63 0.00 0.00 43.02 40.06 2pnc s PHE 338 CO 0.07 -0.16 0.07 0.41 -0.05 0.00 0.00 175.22 175.56 2pnc n GLY 339 N -1.58 0.78 2.94 1.99 0.00 -0.46 -4.73 105.19 104.13 2pnc n GLY 339 Ca 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2pnc n GLY 339 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 340 N 0.00 -0.50 -0.05 0.99 2.96 -1.26 -2.42 118.68 118.40 2pnc s LEU 340 Ca 0.02 0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 2pnc s LEU 340 Cb -0.00 0.96 -0.04 0.00 0.50 0.00 0.00 46.19 47.61 2pnc s LEU 340 CO 0.00 -0.29 1.25 -0.83 -1.32 0.00 0.00 176.35 175.16 2pnc s GLY 341 N 2.50 2.01 0.60 7.98 0.00 0.18 -4.90 107.32 115.69 2pnc s GLY 341 Ca 0.08 0.67 0.29 0.00 0.00 0.00 0.00 44.72 45.76 2pnc s GLY 341 CO -0.14 2.30 2.00 0.00 0.00 0.00 0.00 173.10 177.27 2pnc h ALA 342 N 7.61 1.89 0.00 3.20 0.00 -1.93 0.12 119.26 130.15 2pnc h ALA 342 Ca -0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2pnc h ALA 342 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2pnc h ALA 342 CO 0.89 -0.47 -1.17 1.19 0.00 0.00 0.00 179.25 179.69 2pnc n PHE 343 N -3.65 0.00 0.29 0.00 3.72 -1.26 -1.69 117.46 114.87 2pnc n PHE 343 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 2pnc n PHE 343 Cb 0.47 -0.11 0.13 0.00 -0.94 0.00 0.00 39.48 39.03 2pnc n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pnc h SER 344 N -0.00 0.00 0.00 4.37 4.64 -1.81 -2.57 113.55 118.17 2pnc h SER 344 Ca -0.07 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2pnc h SER 344 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2pnc h SER 344 CO -0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2pnc n GLY 345 N 1.20 -1.55 3.75 -0.77 0.00 0.39 -4.17 105.19 104.04 2pnc n GLY 345 Ca 0.03 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 2pnc n GLY 345 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pnc n PRO 346 N 0.00 2.53 -3.87 1.61 -0.04 -1.26 0.51 135.00 134.47 2pnc n PRO 346 Ca 0.00 0.89 -0.09 0.00 -0.04 0.00 0.00 63.50 64.26 2pnc n PRO 346 Cb 0.00 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 30.79 2pnc n PRO 346 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2pnc s ARG 347 N -1.67 0.86 -0.01 0.54 3.03 -1.02 -1.80 118.95 118.88 2pnc s ARG 347 Ca 0.56 -0.99 -0.01 0.00 2.03 0.00 0.00 55.73 57.33 2pnc s ARG 347 Cb -0.51 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 33.75 2pnc s ARG 347 CO 0.60 -0.27 0.03 0.08 -1.13 0.00 0.00 175.30 174.61 2pnc s VAL 348 N -3.87 0.02 0.13 4.99 1.01 0.08 -1.35 120.40 121.41 2pnc s VAL 348 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2pnc s VAL 348 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 2pnc s VAL 348 CO -0.10 -0.07 -0.17 -0.36 0.00 0.00 0.00 175.10 174.39 2pnc s PHE 349 N -0.20 1.66 -1.24 5.22 0.40 0.54 -0.42 117.98 123.94 2pnc s PHE 349 Ca -0.02 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 2pnc s PHE 349 Cb -0.02 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 2pnc s PHE 349 CO -0.00 0.24 0.74 -3.47 0.70 0.00 0.00 175.22 173.43 2pnc n ASP 350 N 0.59 -2.61 -4.60 1.36 4.64 0.13 -0.70 116.55 115.37 2pnc n ASP 350 Ca -0.16 -0.84 -0.43 0.00 -1.38 0.00 0.00 54.79 51.98 2pnc n ASP 350 Cb 0.56 -4.08 -0.02 0.00 -1.04 0.00 0.00 41.12 36.54 2pnc n ASP 350 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2pnc s VAL 351 N -3.60 3.70 -0.11 5.18 1.01 0.05 -4.27 120.40 122.35 2pnc s VAL 351 Ca 0.15 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.84 2pnc s VAL 351 Cb -0.04 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2pnc s VAL 351 CO 0.81 -0.61 -0.17 -0.13 0.00 0.00 0.00 175.10 175.00 2pnc s ARG 352 N 5.31 3.21 -0.29 2.72 0.52 0.12 0.11 118.95 130.64 2pnc s ARG 352 Ca 0.70 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 55.12 2pnc s ARG 352 Cb -0.18 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 32.82 2pnc s ARG 352 CO 0.33 0.23 0.02 0.12 0.02 0.00 0.00 175.30 176.02 2pnc s PHE 353 N 0.27 3.18 -1.74 -0.53 5.36 0.75 -1.10 117.98 124.17 2pnc s PHE 353 Ca -0.12 -1.50 -0.01 0.00 -0.96 0.00 0.00 56.93 54.34 2pnc s PHE 353 Cb -0.16 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 2pnc s PHE 353 CO 0.06 -0.72 0.14 1.04 -1.46 0.00 0.00 175.22 174.28 2pnc n GLN 354 N 4.73 -2.42 0.00 10.12 6.02 0.13 -2.17 117.38 133.79 2pnc n GLN 354 Ca -0.14 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2pnc n GLN 354 Cb 0.46 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.01 2pnc n GLN 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnc n GLY 355 N -1.13 0.92 3.50 1.08 0.00 -1.26 -5.05 105.19 103.25 2pnc n GLY 355 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2pnc n GLY 355 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnc s GLU 356 N -0.89 3.75 0.02 1.61 2.12 -0.92 -5.03 118.70 119.36 2pnc s GLU 356 Ca 0.00 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 2pnc s GLU 356 Cb 0.00 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 2pnc s GLU 356 CO 0.00 -0.11 1.56 0.50 -0.54 0.00 0.00 175.26 176.67 2pnc s ARG 357 N 1.44 4.22 -0.12 4.30 3.52 -1.26 -0.18 118.95 130.88 2pnc s ARG 357 Ca 0.06 2.17 -0.04 0.00 -0.13 0.00 0.00 55.73 57.78 2pnc s ARG 357 Cb -0.15 -3.67 -0.26 0.00 -1.56 0.00 0.00 34.95 29.31 2pnc s ARG 357 CO 0.05 -0.70 0.37 1.28 -0.81 0.00 0.00 175.30 175.49 2pnc n LEU 358 N 5.86 2.46 -3.82 -0.88 4.77 0.30 -4.61 117.00 121.08 2pnc n LEU 358 Ca 0.15 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2pnc n LEU 358 Cb 0.42 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 2pnc n LEU 358 CO 0.61 0.81 -0.12 0.00 -1.33 0.00 0.00 177.39 177.36 2pnc s ALA 359 N -2.56 -0.49 0.09 -1.18 0.00 -1.14 -0.95 121.76 115.53 2pnc s ALA 359 Ca -0.21 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 2pnc s ALA 359 Cb 0.07 -0.09 -0.19 0.00 0.00 0.00 0.00 23.12 22.91 2pnc s ALA 359 CO 0.77 -0.17 1.23 -0.92 0.00 0.00 0.00 175.76 176.67 2pnc h TYR 360 N 4.84 0.94 -2.24 0.00 3.20 -1.45 0.18 116.97 122.44 2pnc h TYR 360 Ca -0.28 -0.50 -0.03 0.00 3.14 0.00 0.00 58.73 61.05 2pnc h TYR 360 Cb 1.19 -0.11 -0.23 0.00 1.54 0.00 0.00 36.73 39.12 2pnc h TYR 360 CO 0.50 1.34 -0.10 -2.00 -1.64 0.00 0.00 178.16 176.26 2pnc s GLU 361 N -3.34 0.59 -0.26 1.82 2.12 -1.24 -0.69 118.70 117.69 2pnc s GLU 361 Ca -0.09 1.07 0.01 0.00 0.36 0.00 0.00 54.97 56.32 2pnc s GLU 361 Cb 0.08 0.08 0.07 0.00 0.26 0.00 0.00 34.13 34.62 2pnc s GLU 361 CO 0.91 -0.15 -0.03 0.42 -0.54 0.00 0.00 175.26 175.86 2pnc s ILE 362 N 1.57 1.68 0.03 -3.70 1.01 0.44 -1.44 121.20 120.78 2pnc s ILE 362 Ca -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.09 2pnc s ILE 362 Cb -0.06 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2pnc s ILE 362 CO -0.17 -0.22 -0.04 -0.94 0.00 0.00 0.00 174.94 173.56 2pnc s SER 363 N 1.30 0.45 0.06 3.58 1.04 -0.75 -0.74 113.70 118.64 2pnc s SER 363 Ca -0.02 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 55.52 2pnc s SER 363 Cb -0.19 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 2pnc s SER 363 CO -0.08 -0.31 1.14 -0.22 0.98 0.00 0.00 173.24 174.75 2pnc s LEU 364 N -1.70 4.38 -0.26 2.42 2.96 -0.74 -0.34 118.68 125.40 2pnc s LEU 364 Ca -0.11 1.96 -0.12 0.00 -0.22 0.00 0.00 54.13 55.64 2pnc s LEU 364 Cb -0.08 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.89 2pnc s LEU 364 CO -0.02 -0.40 -0.24 0.00 -1.32 0.00 0.00 176.35 174.38 2pnc n GLN 365 N 3.72 0.60 -3.57 1.98 1.13 0.23 -4.43 117.38 117.05 2pnc n GLN 365 Ca 0.08 0.28 -0.16 0.00 -1.94 0.00 0.00 57.00 55.26 2pnc n GLN 365 Cb 0.47 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 2pnc n GLN 365 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2pnc s GLU 366 N -2.49 0.93 -0.14 -1.09 2.56 -1.15 -4.65 118.70 112.66 2pnc s GLU 366 Ca -0.36 0.53 0.02 0.00 0.00 0.00 0.00 54.97 55.16 2pnc s GLU 366 Cb 0.12 0.44 0.00 0.00 2.00 0.00 0.00 34.13 36.70 2pnc s GLU 366 CO 0.53 -0.23 -0.20 0.00 -0.56 0.00 0.00 175.26 174.81 2pnc s ALA 367 N -0.56 2.33 0.30 6.30 0.00 -1.26 0.18 121.76 129.05 2pnc s ALA 367 Ca -0.06 -1.05 0.11 0.00 0.00 0.00 0.00 51.96 50.97 2pnc s ALA 367 Cb -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2pnc s ALA 367 CO 0.06 0.04 -0.17 0.20 0.00 0.00 0.00 175.76 175.88 2pnc s GLY 368 N 0.71 1.97 -0.21 0.00 0.00 0.84 -0.05 107.32 110.59 2pnc s GLY 368 Ca -0.09 -1.94 -0.10 0.00 0.00 0.00 0.00 44.72 42.60 2pnc s GLY 368 CO 0.01 -1.99 0.48 0.00 0.00 0.00 0.00 173.10 171.60 2pnc s ALA 369 N -2.54 -1.30 -0.15 3.20 0.00 -0.58 -1.53 121.76 118.85 2pnc s ALA 369 Ca 0.31 1.76 0.01 0.00 0.00 0.00 0.00 51.96 54.03 2pnc s ALA 369 Cb -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2pnc s ALA 369 CO 0.15 -0.45 -0.17 0.08 0.00 0.00 0.00 175.76 175.38 2pnc s VAL 370 N 1.83 2.49 0.38 0.00 1.01 -1.06 0.43 120.40 125.47 2pnc s VAL 370 Ca -0.08 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2pnc s VAL 370 Cb -0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2pnc s VAL 370 CO -0.15 0.52 0.33 -0.31 0.00 0.00 0.00 175.10 175.50 2pnc s TYR 371 N 0.87 2.80 0.02 5.22 1.51 -0.88 -1.70 117.35 125.19 2pnc s TYR 371 Ca -0.05 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2pnc s TYR 371 Cb -0.15 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2pnc s TYR 371 CO -0.02 0.04 0.04 0.20 -1.11 0.00 0.00 175.55 174.70 2pnc s GLY 372 N -4.06 0.21 0.00 0.71 0.00 -0.46 -4.76 107.32 98.96 2pnc s GLY 372 Ca 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2pnc s GLY 372 CO 0.27 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 173.32 2pnc n GLY 373 N 1.18 0.24 1.03 0.20 0.00 -1.23 -3.66 105.19 102.95 2pnc n GLY 373 Ca -0.21 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2pnc n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pnc n ASN 374 N 0.00 3.48 -4.64 1.61 6.94 -1.26 -4.27 115.26 117.13 2pnc n ASN 374 Ca 0.00 -2.00 -0.30 0.00 -0.02 0.00 0.00 54.58 52.26 2pnc n ASN 374 Cb 0.00 -0.37 -0.09 0.00 -2.36 0.00 0.00 39.78 36.96 2pnc n ASN 374 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2pnc s THR 375 N -1.00 3.77 0.07 5.53 -4.23 -1.26 -5.00 115.64 113.51 2pnc s THR 375 Ca 0.37 -1.05 -0.20 0.00 -1.18 0.00 0.00 61.69 59.63 2pnc s THR 375 Cb 0.19 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 2pnc s THR 375 CO 0.25 0.15 1.32 -0.65 -0.54 0.00 0.00 174.62 175.16 2pnc h PRO 376 N 3.64 -0.36 -0.25 3.99 0.11 -1.98 0.16 132.00 137.32 2pnc h PRO 376 Ca -0.48 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2pnc h PRO 376 Cb 1.17 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 2pnc h PRO 376 CO 0.56 -0.24 -0.13 0.00 -0.21 0.00 0.00 178.00 177.99 2pnc h ALA 377 N -0.81 0.07 0.00 -0.75 0.00 -1.98 0.14 119.26 115.93 2pnc h ALA 377 Ca 0.01 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2pnc h ALA 377 Cb 0.41 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2pnc h ALA 377 CO -0.24 -0.54 -0.33 0.00 0.00 0.00 0.00 179.25 178.14 2pnc h ALA 378 N 1.10 1.22 -0.03 0.00 0.00 -1.87 0.86 119.26 120.53 2pnc h ALA 378 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 2pnc h ALA 378 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pnc h ALA 378 CO -0.31 0.42 -0.68 1.98 0.00 0.00 0.00 179.25 180.65 2pnc h MET 379 N 0.00 0.13 0.00 0.00 -1.53 0.49 -2.39 114.93 111.63 2pnc h MET 379 Ca -0.00 -0.10 -0.28 0.00 -3.44 0.00 0.00 59.70 55.87 2pnc h MET 379 Cb 0.69 0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.71 2pnc h MET 379 CO 0.04 0.76 -2.10 -0.11 0.14 0.00 0.00 176.91 175.64 2pnc n LEU 380 N -3.78 0.00 -4.67 3.39 0.00 -0.08 -4.74 117.00 107.12 2pnc n LEU 380 Ca -0.02 0.00 -0.48 0.00 0.00 0.00 0.00 56.01 55.51 2pnc n LEU 380 Cb 0.67 0.38 -0.05 0.00 0.00 0.00 0.00 43.42 44.42 2pnc n LEU 380 CO 0.44 0.38 1.35 0.41 0.00 0.00 0.00 177.39 179.97 2pnc n THR 381 N -2.57 0.32 -3.61 1.96 -1.04 0.27 -4.60 114.28 105.00 2pnc n THR 381 Ca -0.25 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.41 2pnc n THR 381 Cb 1.00 -1.68 -0.15 0.00 -1.82 0.00 0.00 70.33 67.68 2pnc n THR 381 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2pnc s ARG 382 N 2.69 0.37 0.04 -2.82 3.00 0.30 -2.07 118.95 120.46 2pnc s ARG 382 Ca 0.87 -0.69 -0.26 0.00 0.00 0.00 0.00 55.73 55.65 2pnc s ARG 382 Cb -0.71 -1.46 -0.05 0.00 0.00 0.00 0.00 34.95 32.72 2pnc s ARG 382 CO 0.47 -0.99 0.80 0.71 0.00 0.00 0.00 175.30 176.29 2pnc s TYR 383 N 1.94 3.73 -0.70 -0.53 2.02 0.17 -4.21 117.35 119.76 2pnc s TYR 383 Ca 0.09 1.52 0.05 0.00 -0.37 0.00 0.00 57.07 58.36 2pnc s TYR 383 Cb -0.16 -2.88 0.17 0.00 -0.40 0.00 0.00 41.96 38.69 2pnc s TYR 383 CO -0.32 0.23 0.49 -1.64 -1.57 0.00 0.00 175.55 172.74 2pnc s MET 384 N 0.10 2.46 0.49 -0.62 -1.94 -1.26 -1.52 119.30 117.01 2pnc s MET 384 Ca 0.41 -3.34 0.20 0.00 -1.71 0.00 0.00 55.69 51.24 2pnc s MET 384 Cb -0.21 -3.41 1.08 0.00 2.01 0.00 0.00 34.83 34.30 2pnc s MET 384 CO 0.24 -1.29 1.56 -0.44 -0.01 0.00 0.00 175.02 175.08 2pnc h ASP 385 N 5.40 0.00 0.85 3.03 3.32 -0.85 0.22 116.42 128.39 2pnc h ASP 385 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2pnc h ASP 385 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2pnc h ASP 385 CO 0.72 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 179.01 2pnc h SER 386 N 0.00 0.00 0.52 6.45 4.64 -1.78 -0.04 113.55 123.34 2pnc h SER 386 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnc h SER 386 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2pnc h SER 386 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2pnc n GLY 387 N -0.00 -1.13 0.51 -0.77 0.00 0.79 -3.46 105.19 101.13 2pnc n GLY 387 Ca 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2pnc n GLY 387 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pnc n PHE 388 N -2.16 0.00 0.00 1.61 3.01 -0.37 -4.78 117.46 114.78 2pnc n PHE 388 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2pnc n PHE 388 Cb 0.17 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 2pnc n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnc n GLY 389 N 2.09 2.87 0.17 1.37 0.00 -0.17 -4.81 105.19 106.72 2pnc n GLY 389 Ca -0.25 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 2pnc n GLY 389 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pnc h MET 390 N 0.00 0.22 0.04 1.61 2.86 -1.43 -1.29 114.93 116.93 2pnc h MET 390 Ca 0.00 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 2pnc h MET 390 Cb 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2pnc h MET 390 CO 0.00 0.72 -0.68 0.78 1.06 0.00 0.00 176.91 178.80 2pnc h GLY 391 N 1.46 0.10 0.49 8.32 0.00 -1.29 -3.05 103.07 109.10 2pnc h GLY 391 Ca -0.00 -0.25 0.18 0.00 0.00 0.00 0.00 47.33 47.25 2pnc h GLY 391 CO 0.09 0.22 0.55 -1.82 0.00 0.00 0.00 176.54 175.58 2pnc h TYR 392 N -0.79 0.49 -0.50 5.60 3.20 -1.38 0.30 116.97 123.89 2pnc h TYR 392 Ca -0.16 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2pnc h TYR 392 Cb 1.30 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 2pnc h TYR 392 CO 0.20 0.16 0.03 1.19 -1.64 0.00 0.00 178.16 178.10 2pnc n PHE 393 N -4.48 1.79 -2.56 -3.82 3.72 -0.49 -4.96 117.46 106.65 2pnc n PHE 393 Ca 0.17 -0.85 -0.33 0.00 -0.05 0.00 0.00 57.45 56.38 2pnc n PHE 393 Cb 0.62 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 2pnc n PHE 393 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pnc s ALA 394 N -2.83 2.94 0.26 4.37 0.00 0.09 0.03 121.76 126.62 2pnc s ALA 394 Ca 0.51 0.45 0.11 0.00 0.00 0.00 0.00 51.96 53.03 2pnc s ALA 394 Cb 0.40 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 2pnc s ALA 394 CO 0.13 -0.20 -0.19 0.95 0.00 0.00 0.00 175.76 176.46 2pnc s THR 395 N -2.19 2.26 0.21 0.00 -4.23 -0.32 -4.84 115.64 106.53 2pnc s THR 395 Ca 0.64 -2.34 -0.31 0.00 -1.18 0.00 0.00 61.69 58.50 2pnc s THR 395 Cb -0.13 -2.22 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 2pnc s THR 395 CO 0.21 -0.45 1.53 -2.16 -0.54 0.00 0.00 174.62 173.21 2pnc s PRO 396 N -3.52 4.22 0.05 3.99 0.04 -1.26 -4.57 135.00 133.95 2pnc s PRO 396 Ca 0.27 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2pnc s PRO 396 Cb -0.04 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2pnc s PRO 396 CO 0.12 -0.54 1.00 -0.51 0.04 0.00 0.00 177.00 177.11 2pnc s LEU 397 N 0.39 4.42 -0.43 -3.56 1.43 -0.26 -5.00 118.68 115.67 2pnc s LEU 397 Ca 0.65 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 2pnc s LEU 397 Cb -0.44 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.23 2pnc s LEU 397 CO 0.38 -0.22 1.05 -0.63 0.23 0.00 0.00 176.35 177.16 2pnc s ILE 398 N 0.65 4.38 0.06 -0.59 1.09 -1.26 -4.92 121.20 120.60 2pnc s ILE 398 Ca 0.51 1.22 -0.34 0.00 -1.10 0.00 0.00 60.65 60.94 2pnc s ILE 398 Cb -0.23 -4.49 -0.13 0.00 -1.06 0.00 0.00 42.46 36.55 2pnc s ILE 398 CO 0.29 -0.80 1.71 0.54 -0.10 0.00 0.00 174.94 176.58 2pnc n ARG 399 N 7.35 2.19 0.00 2.79 1.74 -1.26 -0.23 116.66 129.24 2pnc n ARG 399 Ca 0.10 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2pnc n ARG 399 Cb 0.48 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 2pnc n ARG 399 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 400 N 3.85 2.95 0.03 -0.13 0.00 0.98 -4.82 105.19 108.06 2pnc n GLY 400 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 2pnc n GLY 400 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pnc n VAL 401 N 0.00 0.48 -0.04 1.61 0.31 -0.07 -4.74 118.33 115.88 2pnc n VAL 401 Ca 0.00 0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 64.57 2pnc n VAL 401 Cb 0.00 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 2pnc n VAL 401 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2pnc h ASP 402 N -0.32 0.87 -4.51 4.52 3.32 -0.92 -3.45 116.42 115.93 2pnc h ASP 402 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 57.03 56.24 2pnc h ASP 402 Cb 0.32 -0.25 -0.23 0.00 0.22 0.00 0.00 39.33 39.38 2pnc h ASP 402 CO 0.00 1.29 -0.74 0.00 -1.72 0.00 0.00 179.24 178.06 2pnc n PRO 404 N 1.87 0.28 0.08 0.00 -0.02 -1.26 -0.01 135.00 135.94 2pnc n PRO 404 Ca -0.20 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.50 2pnc n PRO 404 Cb 0.56 -1.61 0.55 0.00 -0.02 0.00 0.00 33.50 32.98 2pnc n PRO 404 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2pnc h TYR 405 N -0.21 0.24 -0.84 6.00 0.05 -1.91 -2.19 116.97 118.11 2pnc h TYR 405 Ca -0.45 0.01 -0.34 0.00 0.05 0.00 0.00 58.73 58.00 2pnc h TYR 405 Cb 1.37 -0.08 -0.20 0.00 1.01 0.00 0.00 36.73 38.83 2pnc h TYR 405 CO 0.31 0.14 0.42 1.28 -1.05 0.00 0.00 178.16 179.26 2pnc n LEU 406 N -4.49 6.34 -4.85 3.88 4.77 -1.26 -4.88 117.00 116.51 2pnc n LEU 406 Ca 0.03 -3.39 -0.31 0.00 -0.03 0.00 0.00 56.01 52.31 2pnc n LEU 406 Cb 0.20 -0.78 0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2pnc n LEU 406 CO 0.35 0.92 0.72 0.00 -1.33 0.00 0.00 177.39 178.04 2pnc s ALA 407 N -3.13 2.87 0.04 -1.18 0.00 -0.82 -4.93 121.76 114.61 2pnc s ALA 407 Ca 0.56 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 2pnc s ALA 407 Cb 0.46 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 2pnc s ALA 407 CO 0.12 -1.01 0.56 0.99 0.00 0.00 0.00 175.76 176.42 2pnc s THR 408 N -3.17 4.83 -0.16 0.00 2.01 0.79 -4.93 115.64 115.02 2pnc s THR 408 Ca 0.57 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.75 2pnc s THR 408 Cb -0.12 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.53 2pnc s THR 408 CO 0.54 0.51 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.54 2pnc s TYR 409 N -0.78 2.19 0.21 4.92 1.51 -1.26 -1.25 117.35 122.88 2pnc s TYR 409 Ca 0.29 -1.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.14 2pnc s TYR 409 Cb -0.19 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2pnc s TYR 409 CO 0.18 -0.68 0.08 -1.64 -1.11 0.00 0.00 175.55 172.37 2pnc s MET 410 N 1.48 2.63 0.40 -0.62 -1.94 -1.05 -4.86 119.30 115.33 2pnc s MET 410 Ca 0.04 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.00 2pnc s MET 410 Cb -0.14 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 34.25 2pnc s MET 410 CO -0.10 0.43 0.44 -0.51 -0.01 0.00 0.00 175.02 175.27 2pnc s ASP 411 N -3.31 5.39 0.01 3.03 1.11 -1.26 -1.28 116.67 120.35 2pnc s ASP 411 Ca 0.30 -0.54 -0.00 0.00 0.18 0.00 0.00 52.55 52.49 2pnc s ASP 411 Cb -0.09 -0.73 -0.01 0.00 1.07 0.00 0.00 42.92 43.16 2pnc s ASP 411 CO 0.21 -0.62 -0.01 0.86 1.18 0.00 0.00 175.17 176.80 2pnc s TRP 412 N -2.37 0.10 0.01 4.23 -0.00 0.09 -4.82 118.94 116.17 2pnc s TRP 412 Ca 0.49 -0.20 0.07 0.00 -0.00 0.00 0.00 56.10 56.46 2pnc s TRP 412 Cb -0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 33.47 33.31 2pnc s TRP 412 CO 0.30 -0.08 -0.21 -1.01 -0.00 0.00 0.00 176.95 175.94 2pnc s HIS 413 N -0.59 1.88 -0.12 5.86 3.76 -1.26 0.19 115.29 125.01 2pnc s HIS 413 Ca -0.07 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 2pnc s HIS 413 Cb -0.04 -1.17 0.04 0.00 1.11 0.00 0.00 32.58 32.52 2pnc s HIS 413 CO -0.00 0.02 0.47 -0.59 -0.85 0.00 0.00 174.74 173.79 2pnc s PHE 414 N -0.63 -0.46 -0.48 1.40 -0.12 0.51 -4.87 117.98 113.33 2pnc s PHE 414 Ca 0.08 1.03 0.03 0.00 -0.05 0.00 0.00 56.93 58.02 2pnc s PHE 414 Cb -0.08 0.19 0.12 0.00 -0.63 0.00 0.00 43.02 42.62 2pnc s PHE 414 CO 0.00 -0.33 0.22 0.54 -0.05 0.00 0.00 175.22 175.60 2pnc s VAL 415 N -0.31 2.67 -0.17 -2.49 0.11 -1.26 -0.05 120.40 118.89 2pnc s VAL 415 Ca -0.05 -2.97 -0.01 0.00 -2.93 0.00 0.00 61.98 56.03 2pnc s VAL 415 Cb -0.03 -2.86 0.05 0.00 -1.53 0.00 0.00 36.38 32.00 2pnc s VAL 415 CO 0.03 -0.75 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.32 2pnc s VAL 416 N 0.11 1.08 -1.00 2.04 1.01 -1.26 -1.75 120.40 120.63 2pnc s VAL 416 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2pnc s VAL 416 Cb -0.23 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2pnc s VAL 416 CO -0.03 0.07 0.57 -0.62 0.00 0.00 0.00 175.10 175.09 2pnc n GLU 417 N 4.87 -4.15 -3.75 2.72 1.02 0.15 -5.00 120.64 116.50 2pnc n GLU 417 Ca -0.11 0.59 -0.10 0.00 -0.02 0.00 0.00 57.16 57.52 2pnc n GLU 417 Cb 0.47 -4.83 -0.04 0.00 -0.02 0.00 0.00 31.44 27.01 2pnc n GLU 417 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2pnc s SER 418 N -2.97 -0.21 -0.15 1.62 1.04 -1.26 -3.14 113.70 108.63 2pnc s SER 418 Ca 0.28 -0.51 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 2pnc s SER 418 Cb -0.12 0.54 -0.18 0.00 0.10 0.00 0.00 66.02 66.35 2pnc s SER 418 CO 0.35 -0.99 0.44 1.56 0.98 0.00 0.00 173.24 175.58 2pnc h GLN 419 N 2.29 0.00 -6.08 4.02 1.08 -1.95 -3.45 115.11 111.02 2pnc h GLN 419 Ca -0.30 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.30 2pnc h GLN 419 Cb 1.26 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.65 2pnc h GLN 419 CO 0.41 0.76 -0.34 0.95 -0.95 0.00 0.00 178.83 179.66 2pnc s THR 420 N -2.15 5.21 0.32 -0.54 -4.23 -1.26 -4.96 115.64 108.03 2pnc s THR 420 Ca -0.18 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.08 2pnc s THR 420 Cb 0.00 -3.62 -0.12 0.00 1.34 0.00 0.00 72.50 70.10 2pnc s THR 420 CO 0.52 0.13 1.36 -2.65 -0.54 0.00 0.00 174.62 173.44 2pnc n PRO 421 N 0.37 2.21 -4.10 3.99 -0.02 -1.26 -4.81 135.00 131.38 2pnc n PRO 421 Ca -0.05 0.78 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2pnc n PRO 421 Cb 0.52 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2pnc n PRO 421 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2pnc s LYS 422 N -1.45 2.81 -0.11 -0.52 3.01 0.92 -4.92 119.74 119.47 2pnc s LYS 422 Ca 0.59 -0.87 0.03 0.00 -1.01 0.00 0.00 55.97 54.71 2pnc s LYS 422 Cb -0.57 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 2pnc s LYS 422 CO 0.58 0.50 -0.23 -0.08 0.51 0.00 0.00 175.35 176.63 2pnc s THR 423 N -1.66 2.02 -0.40 2.17 -1.32 -1.26 -0.36 115.64 114.83 2pnc s THR 423 Ca 0.30 -0.98 -0.13 0.00 -1.21 0.00 0.00 61.69 59.66 2pnc s THR 423 Cb -0.10 -1.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.14 2pnc s THR 423 CO 0.22 0.55 0.27 -0.22 -2.21 0.00 0.00 174.62 173.23 2pnc s LEU 424 N 0.55 4.98 0.20 9.08 0.20 0.52 -4.95 118.68 129.26 2pnc s LEU 424 Ca -0.14 -0.96 -0.30 0.00 0.69 0.00 0.00 54.13 53.42 2pnc s LEU 424 Cb -0.17 -2.11 -0.08 0.00 -0.43 0.00 0.00 46.19 43.40 2pnc s LEU 424 CO 0.04 -0.43 1.08 -1.00 -0.29 0.00 0.00 176.35 175.75 2pnc s HIS 425 N 1.63 3.63 -1.35 5.38 3.76 -1.26 -0.73 115.29 126.35 2pnc s HIS 425 Ca 0.04 1.65 -0.02 0.00 -0.15 0.00 0.00 55.06 56.58 2pnc s HIS 425 Cb -0.19 -3.24 0.01 0.00 1.11 0.00 0.00 32.58 30.27 2pnc s HIS 425 CO 0.09 -0.47 0.72 -0.25 -0.85 0.00 0.00 174.74 173.98 2pnc n ASP 426 N 2.11 -1.67 0.09 1.40 10.43 -1.13 -4.03 116.55 123.75 2pnc n ASP 426 Ca 0.02 -0.83 -0.05 0.00 2.57 0.00 0.00 54.79 56.50 2pnc n ASP 426 Cb 0.46 -3.96 0.12 0.00 1.84 0.00 0.00 41.12 39.58 2pnc n ASP 426 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pnc h ALA 427 N 0.88 0.84 -2.10 2.24 0.00 -1.27 -0.68 119.26 119.18 2pnc h ALA 427 Ca -0.61 -0.55 -0.55 0.00 0.00 0.00 0.00 54.91 53.20 2pnc h ALA 427 Cb 1.36 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2pnc h ALA 427 CO 0.59 0.74 -0.71 -0.06 0.00 0.00 0.00 179.25 179.81 2pnc s PHE 428 N -3.72 2.13 -0.17 0.00 0.40 -1.12 -4.32 117.98 111.18 2pnc s PHE 428 Ca -0.04 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.63 2pnc s PHE 428 Cb 0.12 -1.10 0.05 0.00 0.51 0.00 0.00 43.02 42.60 2pnc s PHE 428 CO 0.80 0.50 0.45 0.00 0.70 0.00 0.00 175.22 177.66 2pnc s VAL 430 N 0.44 1.56 0.20 0.00 1.01 -0.38 -0.61 120.40 122.62 2pnc s VAL 430 Ca -0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2pnc s VAL 430 Cb -0.04 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2pnc s VAL 430 CO -0.02 0.45 0.48 0.72 0.00 0.00 0.00 175.10 176.73 2pnc s PHE 431 N 0.09 0.05 -0.08 5.22 -0.71 -0.62 -0.15 117.98 121.79 2pnc s PHE 431 Ca -0.06 -0.41 -0.15 0.00 -1.04 0.00 0.00 56.93 55.27 2pnc s PHE 431 Cb -0.13 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 2pnc s PHE 431 CO 0.03 -0.91 0.38 -1.21 -1.34 0.00 0.00 175.22 172.17 2pnc s GLU 432 N -3.92 4.08 -0.30 1.99 2.02 -1.26 -0.22 118.70 121.10 2pnc s GLU 432 Ca 0.13 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.45 2pnc s GLU 432 Cb -0.00 -3.32 0.08 0.00 0.10 0.00 0.00 34.13 30.99 2pnc s GLU 432 CO 0.00 0.45 0.01 -1.14 0.02 0.00 0.00 175.26 174.60 2pnc s GLN 433 N -0.26 1.51 -0.49 1.61 2.00 0.23 -4.93 119.66 119.33 2pnc s GLN 433 Ca 0.22 -1.44 -0.27 0.00 -2.00 0.00 0.00 55.36 51.87 2pnc s GLN 433 Cb -0.15 -2.80 -0.01 0.00 0.80 0.00 0.00 33.01 30.85 2pnc s GLN 433 CO 0.10 -0.80 1.74 1.21 -0.50 0.00 0.00 175.29 177.04 2pnc s ASN 434 N 1.18 5.68 0.62 6.67 3.04 -1.26 -1.21 114.94 129.65 2pnc s ASN 434 Ca 0.03 0.69 0.34 0.00 0.04 0.00 0.00 52.86 53.97 2pnc s ASN 434 Cb -0.19 -2.53 2.00 0.00 -1.54 0.00 0.00 41.25 38.99 2pnc s ASN 434 CO -0.10 -1.99 2.27 0.11 -3.04 0.00 0.00 177.10 174.35 2pnc h LYS 435 N 13.39 0.00 0.00 0.43 1.79 -0.37 -3.45 116.57 128.36 2pnc h LYS 435 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2pnc h LYS 435 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2pnc h LYS 435 CO 1.14 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 2pnc n GLY 436 N -1.25 0.76 3.41 3.86 0.00 -1.26 -5.00 105.19 105.70 2pnc n GLY 436 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2pnc n GLY 436 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 437 N 0.00 2.63 0.04 0.99 2.96 -1.26 -4.98 118.68 119.06 2pnc s LEU 437 Ca 0.00 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 2pnc s LEU 437 Cb 0.00 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 45.07 2pnc s LEU 437 CO 0.00 0.26 1.65 -2.16 -1.32 0.00 0.00 176.35 174.78 2pnc s PRO 438 N -0.25 4.20 0.25 0.98 0.04 -1.26 -1.08 135.00 137.87 2pnc s PRO 438 Ca 0.01 2.29 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2pnc s PRO 438 Cb -0.13 -3.68 0.30 0.00 0.04 0.00 0.00 34.50 31.02 2pnc s PRO 438 CO 0.03 -0.75 1.64 1.25 0.04 0.00 0.00 177.00 179.21 2pnc h LEU 439 N 8.90 0.53 0.00 -3.56 6.46 -1.57 -3.42 115.31 122.65 2pnc h LEU 439 Ca -0.42 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.13 2pnc h LEU 439 Cb 1.20 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2pnc h LEU 439 CO 0.93 0.84 0.00 -2.11 -0.62 0.00 0.00 178.44 177.48 2pnc n ARG 440 N -4.06 3.31 -1.58 1.25 1.85 -1.23 -5.01 116.66 111.19 2pnc n ARG 440 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 2pnc n ARG 440 Cb 0.48 -0.28 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 2pnc n ARG 440 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2pnc n ARG 441 N 0.00 -4.52 -1.67 2.89 1.74 -1.26 -4.82 116.66 109.02 2pnc n ARG 441 Ca 0.00 3.34 -0.48 0.00 -0.77 0.00 0.00 57.85 59.95 2pnc n ARG 441 Cb 0.00 -3.74 -0.05 0.00 -1.02 0.00 0.00 32.46 27.65 2pnc n ARG 441 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 452 N -0.57 1.14 0.00 -0.13 0.00 -1.26 -4.85 105.19 99.52 2pnc n GLY 452 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2pnc n GLY 452 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 453 N 3.62 6.36 3.51 -0.02 0.00 -1.26 -5.18 105.19 112.22 2pnc n GLY 453 Ca 0.19 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 2pnc n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnc s VAL 454 N -0.09 0.00 0.96 1.61 0.11 -1.26 -5.03 120.40 116.69 2pnc s VAL 454 Ca 0.00 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.74 2pnc s VAL 454 Cb 0.00 -1.20 0.16 0.00 -1.53 0.00 0.00 36.38 33.82 2pnc s VAL 454 CO 0.00 0.00 1.09 0.00 -3.33 0.00 0.00 175.10 172.86 2pnc s ALA 455 N -3.75 1.18 -0.51 1.54 0.00 -1.26 -1.87 121.76 117.09 2pnc s ALA 455 Ca 0.03 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 2pnc s ALA 455 Cb -0.02 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.98 2pnc s ALA 455 CO -0.09 -2.65 0.77 -1.14 0.00 0.00 0.00 175.76 172.66 2pnc s GLN 456 N -4.92 3.25 -0.15 0.00 0.74 -0.24 -4.35 119.66 113.99 2pnc s GLN 456 Ca 0.65 -0.50 -0.03 0.00 0.05 0.00 0.00 55.36 55.52 2pnc s GLN 456 Cb -0.19 -4.05 -0.03 0.00 1.10 0.00 0.00 33.01 29.85 2pnc s GLN 456 CO 0.58 -1.30 -0.03 -0.08 -0.55 0.00 0.00 175.29 173.90 2pnc s THR 457 N 3.26 3.94 0.07 -0.34 -1.32 -1.26 0.46 115.64 120.45 2pnc s THR 457 Ca 0.24 -0.35 0.07 0.00 -1.21 0.00 0.00 61.69 60.44 2pnc s THR 457 Cb -0.15 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.09 2pnc s THR 457 CO 0.17 0.50 -0.19 -0.69 -2.21 0.00 0.00 174.62 172.20 2pnc s VAL 458 N 0.23 1.52 -0.22 5.08 1.01 -0.35 -4.40 120.40 123.27 2pnc s VAL 458 Ca -0.02 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 2pnc s VAL 458 Cb -0.14 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2pnc s VAL 458 CO 0.03 -0.00 0.36 -0.22 0.00 0.00 0.00 175.10 175.27 2pnc s LEU 459 N -1.57 4.13 -0.16 3.92 2.96 -0.91 0.76 118.68 127.82 2pnc s LEU 459 Ca 0.05 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2pnc s LEU 459 Cb -0.09 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.17 2pnc s LEU 459 CO 0.03 -0.08 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.09 2pnc s VAL 460 N 1.43 2.17 -0.28 1.68 1.01 0.69 0.04 120.40 127.15 2pnc s VAL 460 Ca 0.17 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2pnc s VAL 460 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2pnc s VAL 460 CO 0.08 0.54 0.09 0.12 0.00 0.00 0.00 175.10 175.93 2pnc s PHE 461 N 0.99 3.13 0.12 5.22 5.36 0.13 -1.59 117.98 131.34 2pnc s PHE 461 Ca -0.02 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.29 2pnc s PHE 461 Cb -0.15 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 2pnc s PHE 461 CO -0.05 -0.48 -0.11 0.50 -1.46 0.00 0.00 175.22 173.62 2pnc s ARG 462 N 1.56 0.96 -0.01 10.12 3.52 0.22 -0.57 118.95 134.76 2pnc s ARG 462 Ca 0.04 -1.29 -0.29 0.00 -0.13 0.00 0.00 55.73 54.07 2pnc s ARG 462 Cb -0.16 -0.64 0.10 0.00 -1.56 0.00 0.00 34.95 32.69 2pnc s ARG 462 CO 0.03 0.10 0.91 -1.54 -0.81 0.00 0.00 175.30 173.99 2pnc s SER 463 N -2.72 -0.35 -0.06 -2.12 1.04 -1.03 -1.39 113.70 107.07 2pnc s SER 463 Ca 0.10 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.54 2pnc s SER 463 Cb -0.01 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2pnc s SER 463 CO 0.01 -0.60 -0.08 -0.69 0.98 0.00 0.00 173.24 172.85 2pnc s VAL 464 N -3.08 0.86 -0.17 5.02 1.01 -1.26 -0.48 120.40 122.31 2pnc s VAL 464 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2pnc s VAL 464 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2pnc s VAL 464 CO -0.09 0.30 0.09 -0.44 0.00 0.00 0.00 175.10 174.97 2pnc s SER 465 N 0.88 5.93 -0.10 3.32 0.01 -0.06 -1.17 113.70 122.51 2pnc s SER 465 Ca -0.11 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2pnc s SER 465 Cb -0.15 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.12 2pnc s SER 465 CO 0.01 0.24 -0.11 -0.89 0.41 0.00 0.00 173.24 172.90 2pnc s THR 466 N -0.03 1.22 -0.19 1.44 2.01 0.10 -0.19 115.64 120.00 2pnc s THR 466 Ca 0.08 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 2pnc s THR 466 Cb -0.12 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.28 2pnc s THR 466 CO 0.00 0.39 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.25 2pnc s MET 467 N 1.20 1.32 -1.97 4.92 -1.94 -1.26 -4.71 119.30 116.86 2pnc s MET 467 Ca -0.04 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2pnc s MET 467 Cb -0.14 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.50 2pnc s MET 467 CO -0.03 -0.52 0.00 1.28 -0.01 0.00 0.00 175.02 175.73 2pnc n LEU 468 N 4.85 -1.76 -1.03 -0.03 4.32 -1.26 -4.74 117.00 117.35 2pnc n LEU 468 Ca -0.11 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 2pnc n LEU 468 Cb 0.46 -2.90 0.00 0.00 -1.62 0.00 0.00 43.42 39.36 2pnc n LEU 468 CO 0.16 -0.59 0.00 0.59 -1.22 0.00 0.00 177.39 176.33 2pnc n ASN 469 N -1.71 -1.37 0.00 -1.43 3.02 -1.26 -4.89 115.26 107.62 2pnc n ASN 469 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2pnc n ASN 469 Cb 0.69 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2pnc n ASN 469 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pnc n ASP 471 N -0.46 0.00 -4.51 6.41 10.43 -0.27 -3.12 116.55 125.04 2pnc n ASP 471 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 2pnc n ASP 471 Cb 0.12 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.96 2pnc n ASP 471 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2pnc s TYR 472 N 0.00 3.13 -0.36 1.24 4.12 0.73 -1.41 117.35 124.81 2pnc s TYR 472 Ca 0.00 -0.24 -0.12 0.00 0.02 0.00 0.00 57.07 56.73 2pnc s TYR 472 Cb 0.00 -2.19 0.00 0.00 -1.52 0.00 0.00 41.96 38.25 2pnc s TYR 472 CO 0.00 -0.19 0.23 0.54 0.02 0.00 0.00 175.55 176.15 2pnc s VAL 473 N 1.24 5.01 -0.36 0.71 0.11 -0.19 -0.88 120.40 126.04 2pnc s VAL 473 Ca 0.05 -0.49 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 2pnc s VAL 473 Cb -0.14 -3.66 -0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2pnc s VAL 473 CO 0.04 -0.11 0.49 0.26 -3.33 0.00 0.00 175.10 172.45 2pnc s TRP 474 N 1.66 3.18 -0.10 1.54 0.52 0.37 -2.39 118.94 123.72 2pnc s TRP 474 Ca 0.05 0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.27 2pnc s TRP 474 Cb -0.18 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2pnc s TRP 474 CO 0.09 -0.55 -0.08 -0.51 0.02 0.00 0.00 176.95 175.92 2pnc s ASP 475 N 1.77 4.50 -0.16 2.95 1.11 -0.84 -2.45 116.67 123.54 2pnc s ASP 475 Ca 0.17 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.78 2pnc s ASP 475 Cb -0.16 -1.37 0.04 0.00 1.07 0.00 0.00 42.92 42.50 2pnc s ASP 475 CO 0.13 0.27 -0.09 -0.04 1.18 0.00 0.00 175.17 176.63 2pnc s MET 476 N -0.29 1.80 -0.11 8.23 -1.94 0.27 -2.28 119.30 124.99 2pnc s MET 476 Ca 0.04 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 2pnc s MET 476 Cb -0.13 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 2pnc s MET 476 CO 0.03 -0.37 -0.19 0.54 -0.01 0.00 0.00 175.02 175.02 2pnc s VAL 477 N 1.55 2.55 -0.27 -6.03 0.11 0.03 0.20 120.40 118.54 2pnc s VAL 477 Ca 0.02 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2pnc s VAL 477 Cb -0.15 -2.02 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 2pnc s VAL 477 CO -0.09 0.55 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.85 2pnc s PHE 478 N 0.25 3.13 0.42 1.54 0.40 0.11 -1.07 117.98 122.76 2pnc s PHE 478 Ca -0.13 -1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 54.55 2pnc s PHE 478 Cb -0.16 -2.11 -0.06 0.00 0.51 0.00 0.00 43.02 41.20 2pnc s PHE 478 CO 0.07 -0.72 0.80 0.71 0.70 0.00 0.00 175.22 176.77 2pnc s TYR 479 N 1.34 3.47 -1.38 0.36 1.51 -0.19 -2.13 117.35 120.33 2pnc s TYR 479 Ca -0.01 1.10 0.21 0.00 -1.01 0.00 0.00 57.07 57.36 2pnc s TYR 479 Cb -0.18 -2.49 1.04 0.00 -0.11 0.00 0.00 41.96 40.22 2pnc s TYR 479 CO -0.02 -0.15 1.67 -0.35 -1.11 0.00 0.00 175.55 175.58 2pnc n PRO 480 N -1.38 0.26 0.00 -1.71 -0.04 -1.26 -2.57 135.00 128.30 2pnc n PRO 480 Ca 0.03 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2pnc n PRO 480 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2pnc n PRO 480 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pnc n ASN 481 N -1.31 1.92 0.00 3.54 6.94 -1.26 -4.74 115.26 120.34 2pnc n ASN 481 Ca 0.09 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 2pnc n ASN 481 Cb 0.18 0.54 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 2pnc n ASN 481 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pnc n GLY 482 N 1.43 0.78 3.82 4.83 0.00 -1.06 -4.81 105.19 110.18 2pnc n GLY 482 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2pnc n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnc s ALA 483 N -2.00 3.45 -0.06 4.61 0.00 -1.26 -4.61 121.76 121.89 2pnc s ALA 483 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.14 2pnc s ALA 483 Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2pnc s ALA 483 CO 0.00 0.35 -0.23 0.42 0.00 0.00 0.00 175.76 176.30 2pnc s ILE 484 N -1.46 2.25 -0.11 0.00 1.01 0.52 -1.02 121.20 122.39 2pnc s ILE 484 Ca 0.41 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2pnc s ILE 484 Cb -0.17 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.47 2pnc s ILE 484 CO 0.21 0.57 -0.22 -0.70 0.00 0.00 0.00 174.94 174.80 2pnc s GLU 485 N -0.23 2.87 -0.21 2.79 2.12 -0.23 0.05 118.70 125.86 2pnc s GLU 485 Ca -0.01 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2pnc s GLU 485 Cb -0.13 -2.25 0.04 0.00 0.26 0.00 0.00 34.13 32.05 2pnc s GLU 485 CO 0.03 0.08 -0.13 0.08 -0.54 0.00 0.00 175.26 174.79 2pnc s VAL 486 N 0.58 1.86 0.12 3.70 1.01 -0.58 -0.79 120.40 126.30 2pnc s VAL 486 Ca -0.14 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.79 2pnc s VAL 486 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2pnc s VAL 486 CO 0.04 0.21 -0.21 -0.54 0.00 0.00 0.00 175.10 174.61 2pnc s LYS 487 N 1.30 1.18 -0.05 2.72 -0.14 -0.96 -0.53 119.74 123.26 2pnc s LYS 487 Ca -0.02 -1.24 0.06 0.00 -1.36 0.00 0.00 55.97 53.42 2pnc s LYS 487 Cb -0.16 -1.41 -0.01 0.00 -1.68 0.00 0.00 37.83 34.56 2pnc s LYS 487 CO -0.09 0.32 -0.25 -1.17 -0.76 0.00 0.00 175.35 173.41 2pnc s LEU 488 N -2.13 2.10 -0.13 3.17 2.96 0.41 -1.99 118.68 123.08 2pnc s LEU 488 Ca 0.09 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2pnc s LEU 488 Cb -0.09 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.25 2pnc s LEU 488 CO 0.05 0.27 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.22 2pnc s HIS 489 N -0.29 1.98 0.00 5.38 3.76 -1.00 -1.71 115.29 123.41 2pnc s HIS 489 Ca 0.00 -1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 53.74 2pnc s HIS 489 Cb -0.13 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 2pnc s HIS 489 CO 0.02 -0.60 0.36 0.00 -0.85 0.00 0.00 174.74 173.68 2pnc s ALA 490 N 1.42 3.74 0.03 -1.40 0.00 -1.26 -1.03 121.76 123.26 2pnc s ALA 490 Ca 0.02 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 2pnc s ALA 490 Cb -0.13 -2.28 0.09 0.00 0.00 0.00 0.00 23.12 20.80 2pnc s ALA 490 CO -0.08 0.53 0.88 -0.08 0.00 0.00 0.00 175.76 177.01 2pnc s THR 491 N -1.16 0.00 0.00 0.00 -1.32 -0.50 -4.52 115.64 108.14 2pnc s THR 491 Ca 0.25 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2pnc s THR 491 Cb -0.15 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2pnc s THR 491 CO 0.13 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 2pnc n GLY 492 N -0.29 0.18 3.80 6.08 0.00 -0.99 -1.11 105.19 112.85 2pnc n GLY 492 Ca -0.09 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2pnc n GLY 492 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnc s TYR 493 N 0.00 3.60 0.41 1.61 4.12 -1.18 -0.90 117.35 125.01 2pnc s TYR 493 Ca 0.00 0.79 -0.15 0.00 0.02 0.00 0.00 57.07 57.74 2pnc s TYR 493 Cb 0.00 -2.29 -0.08 0.00 -1.52 0.00 0.00 41.96 38.07 2pnc s TYR 493 CO 0.00 0.48 0.83 0.96 0.02 0.00 0.00 175.55 177.84 2pnc s ILE 494 N -0.40 4.65 0.31 2.71 -4.36 -1.26 -4.93 121.20 117.91 2pnc s ILE 494 Ca 0.21 0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 61.28 2pnc s ILE 494 Cb -0.15 -3.67 -0.09 0.00 1.25 0.00 0.00 42.46 39.79 2pnc s ILE 494 CO 0.09 -0.43 1.05 -0.94 0.24 0.00 0.00 174.94 174.95 2pnc s SER 495 N -2.74 7.19 0.30 4.36 1.04 -1.26 -4.66 113.70 117.93 2pnc s SER 495 Ca 0.55 2.13 0.09 0.00 0.48 0.00 0.00 55.95 59.20 2pnc s SER 495 Cb -0.10 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.36 2pnc s SER 495 CO 0.25 -0.19 0.03 -0.44 0.98 0.00 0.00 173.24 173.87 2pnc s SER 496 N -1.16 4.47 0.02 7.02 0.01 -0.80 -4.38 113.70 118.89 2pnc s SER 496 Ca 0.48 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2pnc s SER 496 Cb -0.27 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 2pnc s SER 496 CO 0.35 -0.12 -0.10 0.00 0.41 0.00 0.00 173.24 173.77 2pnc s ALA 497 N -2.40 0.84 0.17 1.44 0.00 -0.63 -4.88 121.76 116.30 2pnc s ALA 497 Ca 0.34 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 2pnc s ALA 497 Cb -0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 2pnc s ALA 497 CO 0.20 0.15 1.52 0.12 0.00 0.00 0.00 175.76 177.75 2pnc s PHE 498 N -0.69 3.08 -0.22 0.00 5.36 -1.26 -0.46 117.98 123.80 2pnc s PHE 498 Ca -0.00 0.74 -0.25 0.00 -0.96 0.00 0.00 56.93 56.46 2pnc s PHE 498 Cb -0.06 -3.87 -0.01 0.00 -0.34 0.00 0.00 43.02 38.73 2pnc s PHE 498 CO 0.00 -3.15 0.82 -1.17 -1.46 0.00 0.00 175.22 170.27 2pnc s LEU 499 N 0.90 4.11 0.05 6.12 2.96 -0.45 -4.75 118.68 127.61 2pnc s LEU 499 Ca 0.68 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 55.46 2pnc s LEU 499 Cb -0.42 -3.19 0.04 0.00 0.50 0.00 0.00 46.19 43.11 2pnc s LEU 499 CO 0.33 -0.47 0.46 0.72 -1.32 0.00 0.00 176.35 176.07 2pnc s PHE 500 N 2.59 -0.34 0.00 5.38 -0.71 -1.26 -4.82 117.98 118.82 2pnc s PHE 500 Ca 0.36 0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.59 2pnc s PHE 500 Cb -0.16 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 2pnc s PHE 500 CO 0.09 -0.60 0.00 0.41 -1.34 0.00 0.00 175.22 173.78 2pnc n GLY 501 N 0.46 2.11 2.16 1.99 0.00 -1.26 -2.70 105.19 107.95 2pnc n GLY 501 Ca -0.18 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2pnc n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnc n ALA 502 N 6.95 6.81 0.19 4.61 0.00 -1.26 -4.55 120.51 133.26 2pnc n ALA 502 Ca 0.00 -2.59 0.05 0.00 0.00 0.00 0.00 53.44 50.90 2pnc n ALA 502 Cb 0.00 -2.69 0.38 0.00 0.00 0.00 0.00 19.45 17.14 2pnc n ALA 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc h ALA 503 N 3.75 1.11 0.00 0.00 0.00 -1.92 -2.86 119.26 119.34 2pnc h ALA 503 Ca 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pnc h ALA 503 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2pnc h ALA 503 CO 0.86 0.46 0.00 0.54 0.00 0.00 0.00 179.25 181.11 2pnc n ARG 504 N -3.69 0.05 0.00 0.00 1.74 -1.26 -0.83 116.66 112.66 2pnc n ARG 504 Ca -0.01 0.33 0.10 0.00 -0.77 0.00 0.00 57.85 57.50 2pnc n ARG 504 Cb 0.46 -1.61 0.48 0.00 -1.02 0.00 0.00 32.46 30.77 2pnc n ARG 504 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2pnc n ARG 505 N -1.70 0.20 -0.86 5.56 0.63 -1.08 -3.34 116.66 116.06 2pnc n ARG 505 Ca 0.03 0.12 0.04 0.00 -0.92 0.00 0.00 57.85 57.11 2pnc n ARG 505 Cb 0.16 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.63 2pnc n ARG 505 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2pnc n TYR 506 N -1.35 0.00 -0.17 -0.14 4.01 -0.01 -4.99 117.16 114.51 2pnc n TYR 506 Ca 0.08 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 2pnc n TYR 506 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2pnc n TYR 506 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnc n GLY 507 N -0.16 0.91 3.37 2.72 0.00 -1.21 -0.75 105.19 110.06 2pnc n GLY 507 Ca 0.07 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 2pnc n GLY 507 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pnc s ASN 508 N -4.00 3.16 0.00 1.61 0.01 -1.06 -4.30 114.94 110.36 2pnc s ASN 508 Ca 0.00 -0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 51.10 2pnc s ASN 508 Cb 0.00 -0.20 -0.05 0.00 0.41 0.00 0.00 41.25 41.40 2pnc s ASN 508 CO 0.00 0.15 1.34 -1.58 -1.51 0.00 0.00 177.10 175.50 2pnc s GLN 509 N -2.08 4.31 0.00 -0.60 0.74 -1.26 0.20 119.66 120.97 2pnc s GLN 509 Ca 0.13 1.90 0.08 0.00 0.05 0.00 0.00 55.36 57.51 2pnc s GLN 509 Cb -0.10 -3.52 0.05 0.00 1.10 0.00 0.00 33.01 30.54 2pnc s GLN 509 CO 0.06 -0.51 0.72 1.33 -0.55 0.00 0.00 175.29 176.33 2pnc n VAL 510 N 4.53 0.00 0.00 1.34 0.24 -0.26 -4.70 118.33 119.48 2pnc n VAL 510 Ca 0.12 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2pnc n VAL 510 Cb 0.44 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2pnc n VAL 510 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnc n GLY 511 N 0.47 0.42 3.68 7.63 0.00 -1.17 -4.93 105.19 111.29 2pnc n GLY 511 Ca 0.04 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 2pnc n GLY 511 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pnc n GLU 512 N -0.06 2.37 -1.66 1.61 4.71 -1.26 -1.05 120.64 125.30 2pnc n GLU 512 Ca 0.00 0.86 -0.20 0.00 -0.01 0.00 0.00 57.16 57.81 2pnc n GLU 512 Cb 0.00 -2.67 -0.08 0.00 -1.01 0.00 0.00 31.44 27.68 2pnc n GLU 512 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2pnc n HIS 513 N 4.39 -0.09 -3.99 -0.32 8.25 -1.26 -4.96 115.22 117.24 2pnc n HIS 513 Ca 0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.39 2pnc n HIS 513 Cb 0.31 -3.43 -0.17 0.00 1.12 0.00 0.00 29.99 27.83 2pnc n HIS 513 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2pnc s THR 514 N -2.77 0.85 -0.05 1.59 2.01 -0.21 -1.35 115.64 115.71 2pnc s THR 514 Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2pnc s THR 514 Cb 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2pnc s THR 514 CO 0.00 0.33 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.02 2pnc s LEU 515 N 1.56 3.43 -0.56 4.42 2.96 0.40 -1.11 118.68 129.78 2pnc s LEU 515 Ca 0.01 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2pnc s LEU 515 Cb -0.13 -1.84 0.13 0.00 0.50 0.00 0.00 46.19 44.85 2pnc s LEU 515 CO -0.05 0.34 0.54 -0.83 -1.32 0.00 0.00 176.35 175.03 2pnc s GLY 516 N -1.09 2.05 0.50 7.98 0.00 0.13 -1.61 107.32 115.28 2pnc s GLY 516 Ca 0.15 -2.51 -0.22 0.00 0.00 0.00 0.00 44.72 42.14 2pnc s GLY 516 CO 0.05 1.27 1.22 2.56 0.00 0.00 0.00 173.10 178.19 2pnc s PRO 517 N 1.75 3.51 0.54 2.90 0.04 -1.26 -2.57 135.00 139.92 2pnc s PRO 517 Ca 0.05 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 2pnc s PRO 517 Cb -0.28 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 2pnc s PRO 517 CO 0.03 -0.79 1.31 0.14 0.04 0.00 0.00 177.00 177.74 2pnc s VAL 518 N -1.49 2.26 -0.01 -0.36 -7.23 0.07 -4.57 120.40 109.07 2pnc s VAL 518 Ca 0.67 0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 2pnc s VAL 518 Cb -0.32 -3.10 0.08 0.00 0.56 0.00 0.00 36.38 33.61 2pnc s VAL 518 CO 0.38 -0.01 0.74 -1.38 -0.31 0.00 0.00 175.10 174.52 2pnc s HIS 519 N -1.36 -0.54 -0.03 2.82 -3.43 -1.14 -1.35 115.29 110.25 2pnc s HIS 519 Ca 0.72 0.71 0.03 0.00 -0.80 0.00 0.00 55.06 55.72 2pnc s HIS 519 Cb -0.38 0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 31.22 2pnc s HIS 519 CO 0.44 -0.62 -0.11 0.95 -2.00 0.00 0.00 174.74 173.41 2pnc s THR 520 N -2.09 3.37 -0.03 -5.38 -4.23 -0.69 -0.31 115.64 106.27 2pnc s THR 520 Ca -0.04 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2pnc s THR 520 Cb -0.00 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2pnc s THR 520 CO 0.00 0.52 0.12 -1.00 -0.54 0.00 0.00 174.62 173.72 2pnc s HIS 521 N -0.84 3.42 0.01 3.99 3.76 -0.04 -2.57 115.29 123.02 2pnc s HIS 521 Ca 0.13 0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 55.24 2pnc s HIS 521 Cb -0.11 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.79 2pnc s HIS 521 CO 0.03 0.61 0.25 -1.12 -0.85 0.00 0.00 174.74 173.66 2pnc s SER 522 N -1.64 -0.09 -0.03 1.40 0.01 -0.58 -1.62 113.70 111.15 2pnc s SER 522 Ca 0.22 -0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 2pnc s SER 522 Cb -0.12 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.40 2pnc s SER 522 CO 0.13 -0.48 0.15 0.00 0.41 0.00 0.00 173.24 173.45 2pnc s ALA 523 N -1.76 -0.35 -0.08 1.44 0.00 -0.14 -0.11 121.76 120.76 2pnc s ALA 523 Ca -0.11 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2pnc s ALA 523 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2pnc s ALA 523 CO 0.01 -0.15 -0.22 -1.58 0.00 0.00 0.00 175.76 173.82 2pnc s HIS 524 N -0.74 2.54 0.02 0.00 2.46 0.13 -2.01 115.29 117.68 2pnc s HIS 524 Ca -0.08 -0.73 0.08 0.00 0.47 0.00 0.00 55.06 54.80 2pnc s HIS 524 Cb -0.05 -1.66 -0.02 0.00 -0.13 0.00 0.00 32.58 30.72 2pnc s HIS 524 CO 0.01 -0.22 -0.25 0.71 -2.47 0.00 0.00 174.74 172.52 2pnc s TYR 525 N -0.05 2.22 -0.35 3.88 1.51 -0.46 0.76 117.35 124.86 2pnc s TYR 525 Ca -0.06 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.45 2pnc s TYR 525 Cb -0.15 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 2pnc s TYR 525 CO 0.05 0.06 0.26 0.21 -1.11 0.00 0.00 175.55 175.02 2pnc s LYS 526 N -0.99 3.39 -0.80 -0.62 2.20 0.54 -1.84 119.74 121.61 2pnc s LYS 526 Ca 0.10 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 2pnc s LYS 526 Cb -0.10 -3.84 0.20 0.00 -1.51 0.00 0.00 37.83 32.58 2pnc s LYS 526 CO 0.01 -0.51 0.65 0.08 -0.36 0.00 0.00 175.35 175.22 2pnc s VAL 527 N 1.72 3.83 -1.36 4.02 1.01 0.33 -1.81 120.40 128.14 2pnc s VAL 527 Ca 0.06 -3.86 -0.16 0.00 0.00 0.00 0.00 61.98 58.02 2pnc s VAL 527 Cb -0.18 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.84 2pnc s VAL 527 CO 0.10 -1.03 1.93 -0.67 0.00 0.00 0.00 175.10 175.44 2pnc n ASP 528 N 2.39 4.51 -4.76 3.32 2.03 -0.52 -1.57 116.55 121.95 2pnc n ASP 528 Ca 0.19 -2.89 -0.41 0.00 0.52 0.00 0.00 54.79 52.20 2pnc n ASP 528 Cb 0.36 -1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 39.03 2pnc n ASP 528 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pnc s LEU 529 N 3.28 4.43 -0.62 -2.67 1.43 -1.26 -1.15 118.68 122.12 2pnc s LEU 529 Ca 0.51 2.59 0.06 0.00 -1.03 0.00 0.00 54.13 56.26 2pnc s LEU 529 Cb 0.08 -3.64 0.25 0.00 0.03 0.00 0.00 46.19 42.91 2pnc s LEU 529 CO 0.01 -0.52 0.72 0.47 0.23 0.00 0.00 176.35 177.26 2pnc n ASP 530 N 1.44 3.48 -4.60 2.29 8.00 -0.12 -4.67 116.55 122.37 2pnc n ASP 530 Ca 0.02 -3.38 -0.43 0.00 0.71 0.00 0.00 54.79 51.71 2pnc n ASP 530 Cb 0.42 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2pnc n ASP 530 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pnc s VAL 531 N -2.35 3.54 -1.27 2.53 1.01 -1.26 -2.31 120.40 120.29 2pnc s VAL 531 Ca 0.39 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 2pnc s VAL 531 Cb 0.14 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2pnc s VAL 531 CO -0.02 -0.45 0.05 0.61 0.00 0.00 0.00 175.10 175.29 2pnc n GLY 532 N 5.34 -0.25 0.00 4.51 0.00 -1.26 -3.78 105.19 109.76 2pnc n GLY 532 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2pnc n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 533 N -1.05 -1.57 0.46 -0.02 0.00 -0.98 -4.77 105.19 97.27 2pnc n GLY 533 Ca -0.17 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.49 2pnc n GLY 533 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pnc h LEU 534 N 0.00 -0.97 -8.91 0.99 4.07 -1.86 -3.42 115.31 105.21 2pnc h LEU 534 Ca 0.00 0.03 -0.61 0.00 0.08 0.00 0.00 57.88 57.38 2pnc h LEU 534 Cb 0.00 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2pnc h LEU 534 CO 0.00 -0.69 1.41 1.21 -1.08 0.00 0.00 178.44 179.29 2pnc n GLU 535 N -5.58 1.78 -4.24 1.13 2.13 -1.26 -4.17 120.64 110.42 2pnc n GLU 535 Ca -0.15 0.53 -0.22 0.00 0.66 0.00 0.00 57.16 57.98 2pnc n GLU 535 Cb 0.46 -2.92 -0.12 0.00 0.27 0.00 0.00 31.44 29.13 2pnc n GLU 535 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2pnc s ASN 536 N 7.25 2.21 0.36 4.31 0.02 -0.29 -4.00 114.94 124.79 2pnc s ASN 536 Ca 1.02 -0.68 0.07 0.00 -1.02 0.00 0.00 52.86 52.26 2pnc s ASN 536 Cb -0.54 -0.10 -0.07 0.00 0.02 0.00 0.00 41.25 40.55 2pnc s ASN 536 CO 0.42 -0.00 -0.03 0.26 0.02 0.00 0.00 177.10 177.77 2pnc s TRP 537 N -1.29 2.32 -0.06 2.20 0.51 -0.50 -1.18 118.94 120.94 2pnc s TRP 537 Ca 0.04 -0.65 0.05 0.00 -2.12 0.00 0.00 56.10 53.42 2pnc s TRP 537 Cb -0.10 -1.48 -0.01 0.00 -0.81 0.00 0.00 33.47 31.08 2pnc s TRP 537 CO 0.04 0.41 -0.23 0.08 -0.51 0.00 0.00 176.95 176.74 2pnc s VAL 538 N -2.80 1.93 0.08 4.03 1.01 -1.26 -1.12 120.40 122.27 2pnc s VAL 538 Ca 0.33 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.43 2pnc s VAL 538 Cb 0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2pnc s VAL 538 CO 0.16 0.54 -0.26 0.26 0.00 0.00 0.00 175.10 175.80 2pnc s TRP 539 N -0.00 2.28 -0.37 5.22 0.52 -0.46 -1.62 118.94 124.51 2pnc s TRP 539 Ca -0.07 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.67 2pnc s TRP 539 Cb -0.14 -1.31 0.11 0.00 -1.15 0.00 0.00 33.47 30.98 2pnc s TRP 539 CO 0.05 0.21 0.14 0.00 0.02 0.00 0.00 176.95 177.36 2pnc s ALA 540 N -0.91 2.29 -0.08 0.98 0.00 0.52 -2.48 121.76 122.07 2pnc s ALA 540 Ca 0.12 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 49.74 2pnc s ALA 540 Cb -0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2pnc s ALA 540 CO 0.04 -1.81 -0.00 -1.21 0.00 0.00 0.00 175.76 172.78 2pnc s GLU 541 N 0.89 2.97 0.00 0.00 2.02 -0.05 -2.04 118.70 122.49 2pnc s GLU 541 Ca 0.13 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2pnc s GLU 541 Cb -0.20 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2pnc s GLU 541 CO -0.11 0.70 0.00 -3.47 0.02 0.00 0.00 175.26 172.40 2pnc n ASP 542 N 2.13 0.00 -4.57 -0.19 -0.08 -0.29 -1.34 116.55 112.22 2pnc n ASP 542 Ca -0.19 -0.51 -0.25 0.00 -1.51 0.00 0.00 54.79 52.34 2pnc n ASP 542 Cb 0.54 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.90 2pnc n ASP 542 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pnc s MET 543 N -0.53 1.93 -0.07 -0.67 0.23 -1.26 -0.71 119.30 118.22 2pnc s MET 543 Ca 0.00 -1.79 -0.29 0.00 -1.03 0.00 0.00 55.69 52.58 2pnc s MET 543 Cb 0.00 -1.84 0.07 0.00 -1.53 0.00 0.00 34.83 31.53 2pnc s MET 543 CO 0.00 0.20 0.66 0.00 -2.03 0.00 0.00 175.02 173.85 2pnc s ALA 544 N -2.53 -1.71 -0.21 3.16 0.00 -0.57 -4.82 121.76 115.08 2pnc s ALA 544 Ca 0.33 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 2pnc s ALA 544 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2pnc s ALA 544 CO 0.18 -0.36 -0.03 -0.06 0.00 0.00 0.00 175.76 175.48 2pnc s PHE 545 N -1.03 2.97 -0.16 0.00 0.40 -1.26 -1.04 117.98 117.87 2pnc s PHE 545 Ca -0.10 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.50 2pnc s PHE 545 Cb -0.01 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2pnc s PHE 545 CO 0.09 -0.42 -0.18 0.08 0.70 0.00 0.00 175.22 175.49 2pnc s VAL 546 N 1.24 1.86 -0.24 -0.44 1.01 -0.59 -4.84 120.40 118.40 2pnc s VAL 546 Ca 0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2pnc s VAL 546 Cb -0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2pnc s VAL 546 CO -0.01 0.51 1.71 -2.16 0.00 0.00 0.00 175.10 175.15 2pnc s PRO 547 N 1.24 3.65 0.12 2.72 0.04 -1.26 -1.29 135.00 140.22 2pnc s PRO 547 Ca 0.02 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2pnc s PRO 547 Cb -0.14 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2pnc s PRO 547 CO -0.09 -1.48 -0.10 0.95 0.04 0.00 0.00 177.00 176.32 2pnc s THR 548 N 5.79 1.04 0.36 1.26 -4.23 -1.10 -4.93 115.64 113.83 2pnc s THR 548 Ca 0.76 -1.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.11 2pnc s THR 548 Cb -0.25 -1.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.85 2pnc s THR 548 CO 0.31 -0.69 1.14 0.00 -0.54 0.00 0.00 174.62 174.85 2pnc s ALA 549 N -3.02 3.25 -0.12 3.99 0.00 -1.26 -1.08 121.76 123.51 2pnc s ALA 549 Ca 0.12 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 2pnc s ALA 549 Cb 0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2pnc s ALA 549 CO -0.00 -0.39 1.31 0.42 0.00 0.00 0.00 175.76 177.10 2pnc s ILE 550 N -1.36 4.15 0.28 0.00 1.01 0.02 -4.87 121.20 120.43 2pnc s ILE 550 Ca 0.53 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.62 2pnc s ILE 550 Cb -0.30 -3.92 0.27 0.00 0.01 0.00 0.00 42.46 38.52 2pnc s ILE 550 CO 0.39 -0.09 1.76 -0.65 0.00 0.00 0.00 174.94 176.35 2pnc h PRO 551 N 8.19 0.64 -0.02 2.79 0.11 -1.94 0.20 132.00 141.97 2pnc h PRO 551 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2pnc h PRO 551 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2pnc h PRO 551 CO 0.95 0.42 0.00 -2.67 -0.21 0.00 0.00 178.00 176.49 2pnc n TRP 552 N -4.85 0.01 -2.87 0.65 2.14 -1.26 -4.34 117.44 106.92 2pnc n TRP 552 Ca 0.20 -0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.65 2pnc n TRP 552 Cb 0.51 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.03 2pnc n TRP 552 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2pnc n SER 553 N 0.20 -2.04 0.34 -0.67 2.88 0.42 -5.02 113.62 109.74 2pnc n SER 553 Ca 0.19 -3.18 0.20 0.00 -1.33 0.00 0.00 58.87 54.76 2pnc n SER 553 Cb 0.36 1.18 1.09 0.00 -0.75 0.00 0.00 64.21 66.09 2pnc n SER 553 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2pnc h PRO 554 N 3.91 0.00 0.00 -1.46 0.11 -0.96 0.22 132.00 133.82 2pnc h PRO 554 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2pnc h PRO 554 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2pnc h PRO 554 CO 0.35 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.53 2pnc n GLU 555 N -3.01 0.18 -4.21 1.05 4.71 -1.26 -4.56 120.64 113.53 2pnc n GLU 555 Ca -0.03 0.26 -0.29 0.00 -0.01 0.00 0.00 57.16 57.10 2pnc n GLU 555 Cb 0.17 -1.76 -0.09 0.00 -1.01 0.00 0.00 31.44 28.76 2pnc n GLU 555 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2pnc s HIS 556 N -3.15 2.79 0.33 -0.32 3.76 0.78 -5.04 115.29 114.44 2pnc s HIS 556 Ca 0.09 -0.14 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 2pnc s HIS 556 Cb 0.12 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.34 2pnc s HIS 556 CO 0.48 0.47 0.04 -0.65 -0.85 0.00 0.00 174.74 174.23 2pnc s GLN 557 N -2.46 2.16 -0.14 1.40 -0.21 -1.26 -0.80 119.66 118.34 2pnc s GLN 557 Ca 0.24 -1.68 -0.06 0.00 0.02 0.00 0.00 55.36 53.89 2pnc s GLN 557 Cb -0.11 -2.00 0.06 0.00 1.00 0.00 0.00 33.01 31.97 2pnc s GLN 557 CO 0.16 0.15 0.29 -1.50 -2.12 0.00 0.00 175.29 172.27 2pnc s ILE 558 N -2.48 -0.33 -0.86 1.08 2.07 -0.24 -4.83 121.20 115.61 2pnc s ILE 558 Ca 0.35 0.22 -0.25 0.00 -1.41 0.00 0.00 60.65 59.56 2pnc s ILE 558 Cb -0.01 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 42.03 2pnc s ILE 558 CO 0.20 0.09 2.10 -1.10 -1.91 0.00 0.00 174.94 174.32 2pnc s GLN 559 N 2.09 2.24 -0.16 3.50 -1.52 -1.26 -2.69 119.66 121.85 2pnc s GLN 559 Ca -0.03 -0.03 -0.29 0.00 -1.95 0.00 0.00 55.36 53.07 2pnc s GLN 559 Cb -0.11 -4.97 -0.03 0.00 -0.22 0.00 0.00 33.01 27.68 2pnc s GLN 559 CO -0.09 -3.73 1.59 1.03 -0.25 0.00 0.00 175.29 173.84 2pnc s ARG 560 N 7.63 3.96 0.04 2.91 1.81 -0.41 -4.68 118.95 130.22 2pnc s ARG 560 Ca 0.78 1.83 -0.30 0.00 -1.72 0.00 0.00 55.73 56.31 2pnc s ARG 560 Cb -0.09 -3.99 -0.05 0.00 -0.45 0.00 0.00 34.95 30.37 2pnc s ARG 560 CO 0.02 -1.10 1.12 -1.17 -0.68 0.00 0.00 175.30 173.49 2pnc s LEU 561 N 4.68 4.37 0.17 2.53 2.96 -1.26 -1.54 118.68 130.60 2pnc s LEU 561 Ca 0.70 1.89 -0.10 0.00 -0.22 0.00 0.00 54.13 56.41 2pnc s LEU 561 Cb -0.27 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.84 2pnc s LEU 561 CO 0.28 -0.39 0.32 0.00 -1.32 0.00 0.00 176.35 175.24 2pnc s GLN 562 N 1.00 1.20 -0.18 1.98 -2.07 -0.21 -4.98 119.66 116.41 2pnc s GLN 562 Ca 0.56 -1.14 -0.11 0.00 -1.82 0.00 0.00 55.36 52.85 2pnc s GLN 562 Cb -0.27 0.40 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 2pnc s GLN 562 CO 0.29 -0.45 0.19 0.08 -1.32 0.00 0.00 175.29 174.08 2pnc s VAL 563 N -3.96 5.37 -0.08 3.63 1.01 -1.26 -1.51 120.40 123.60 2pnc s VAL 563 Ca 0.16 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 2pnc s VAL 563 Cb 0.03 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2pnc s VAL 563 CO 0.00 0.44 0.09 0.42 0.00 0.00 0.00 175.10 176.05 2pnc s THR 564 N 0.25 4.97 0.00 3.92 -4.23 0.11 -4.95 115.64 115.71 2pnc s THR 564 Ca 0.12 -0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2pnc s THR 564 Cb -0.12 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 2pnc s THR 564 CO 0.01 0.56 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.42 2pnc s ARG 565 N -1.14 0.76 -0.18 3.99 0.52 -1.26 -1.14 118.95 120.51 2pnc s ARG 565 Ca 0.16 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 54.86 2pnc s ARG 565 Cb -0.12 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.69 2pnc s ARG 565 CO 0.06 0.19 0.42 0.21 0.02 0.00 0.00 175.30 176.20 2pnc s LYS 566 N -0.44 0.39 -0.29 3.54 2.36 -0.86 -4.97 119.74 119.46 2pnc s LYS 566 Ca 0.02 0.83 -0.21 0.00 -2.55 0.00 0.00 55.97 54.06 2pnc s LYS 566 Cb -0.05 0.02 -0.01 0.00 -1.05 0.00 0.00 37.83 36.75 2pnc s LYS 566 CO -0.00 -0.17 0.67 -1.14 1.55 0.00 0.00 175.35 176.26 2pnc s GLN 567 N 1.56 3.98 0.25 4.03 0.74 -1.26 -0.35 119.66 128.60 2pnc s GLN 567 Ca -0.09 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 2pnc s GLN 567 Cb -0.09 -3.70 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 2pnc s GLN 567 CO -0.13 -0.55 1.10 -0.51 -0.55 0.00 0.00 175.29 174.66 2pnc s LEU 568 N 2.66 4.53 -0.18 3.68 1.02 -0.64 -4.97 118.68 124.79 2pnc s LEU 568 Ca 0.27 2.22 0.05 0.00 0.02 0.00 0.00 54.13 56.69 2pnc s LEU 568 Cb -0.15 -3.62 -0.14 0.00 0.02 0.00 0.00 46.19 42.30 2pnc s LEU 568 CO 0.11 -0.17 -0.10 -0.62 0.02 0.00 0.00 176.35 175.59 2pnc n GLU 569 N 1.56 0.82 -4.46 1.70 -0.58 -1.26 -4.48 120.64 113.94 2pnc n GLU 569 Ca 0.00 0.07 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 2pnc n GLU 569 Cb 0.45 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 2pnc n GLU 569 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2pnc s THR 570 N -2.37 2.37 0.34 2.62 -4.23 -1.26 0.04 115.64 113.16 2pnc s THR 570 Ca -0.20 -2.37 0.06 0.00 -1.18 0.00 0.00 61.69 58.00 2pnc s THR 570 Cb 0.06 -2.31 0.31 0.00 1.34 0.00 0.00 72.50 71.90 2pnc s THR 570 CO 0.49 -0.40 1.90 -0.33 -0.54 0.00 0.00 174.62 175.74 2pnc h GLU 571 N 2.28 0.76 -0.73 3.99 5.08 -1.16 -2.54 114.58 122.26 2pnc h GLU 571 Ca -0.40 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2pnc h GLU 571 Cb 1.25 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2pnc h GLU 571 CO 0.61 0.50 0.48 0.93 -1.00 0.00 0.00 179.01 180.53 2pnc h GLU 572 N 0.78 0.93 0.00 2.33 3.07 -1.89 -1.81 114.58 117.99 2pnc h GLU 572 Ca 0.40 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 2pnc h GLU 572 Cb 0.49 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2pnc h GLU 572 CO -0.17 0.62 -0.35 1.96 -1.40 0.00 0.00 179.01 179.66 2pnc h GLN 573 N 0.96 0.00 -0.53 2.33 4.20 -1.87 -3.13 115.11 117.07 2pnc h GLN 573 Ca 0.27 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2pnc h GLN 573 Cb -0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2pnc h GLN 573 CO -0.06 0.35 0.04 0.00 -0.67 0.00 0.00 178.83 178.49 2pnc n ALA 574 N -2.43 3.82 -2.99 3.87 0.00 -0.70 -4.81 120.51 117.28 2pnc n ALA 574 Ca -0.02 -2.08 -0.42 0.00 0.00 0.00 0.00 53.44 50.92 2pnc n ALA 574 Cb 0.41 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 2pnc n ALA 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc s ALA 575 N -2.83 3.41 -0.34 0.00 0.00 -1.10 -2.47 121.76 118.43 2pnc s ALA 575 Ca 0.52 -2.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 2pnc s ALA 575 Cb 0.41 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2pnc s ALA 575 CO 0.14 -1.63 0.20 -0.06 0.00 0.00 0.00 175.76 174.41 2pnc s PHE 576 N 1.55 3.21 0.24 0.00 0.08 -0.21 -5.02 117.98 117.83 2pnc s PHE 576 Ca 0.03 -0.58 -0.31 0.00 0.12 0.00 0.00 56.93 56.19 2pnc s PHE 576 Cb -0.23 -2.42 -0.11 0.00 -0.57 0.00 0.00 43.02 39.69 2pnc s PHE 576 CO 0.05 -0.49 1.64 -2.14 -0.10 0.00 0.00 175.22 174.18 2pnc s PRO 577 N 1.63 4.14 0.28 0.24 0.02 -1.26 0.15 135.00 140.20 2pnc s PRO 577 Ca 0.04 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 2pnc s PRO 577 Cb -0.18 -3.07 -0.12 0.00 0.02 0.00 0.00 34.50 31.16 2pnc s PRO 577 CO 0.08 -0.67 1.60 -0.11 -0.33 0.00 0.00 177.00 177.57 2pnc n LEU 578 N 3.19 4.26 0.00 -5.54 7.94 0.12 -1.81 117.00 125.17 2pnc n LEU 578 Ca 0.12 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 2pnc n LEU 578 Cb 0.37 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.73 2pnc n LEU 578 CO 0.63 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.65 2pnc n GLY 579 N 2.36 0.81 1.31 -3.96 0.00 -1.26 -4.81 105.19 99.64 2pnc n GLY 579 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2pnc n GLY 579 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 580 N -2.00 3.03 3.61 -0.02 0.00 -0.75 -5.13 105.19 103.93 2pnc n GLY 580 Ca 0.00 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 2pnc n GLY 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnc s ALA 581 N -2.28 3.17 0.29 4.61 0.00 -1.26 -4.97 121.76 121.33 2pnc s ALA 581 Ca 0.10 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.34 2pnc s ALA 581 Cb -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 2pnc s ALA 581 CO 0.06 0.46 0.00 -1.12 0.00 0.00 0.00 175.76 175.17 2pnc s SER 582 N -0.45 4.41 0.28 0.00 0.01 -1.26 -4.95 113.70 111.74 2pnc s SER 582 Ca 0.08 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.27 2pnc s SER 582 Cb -0.12 -0.72 -0.13 0.00 0.21 0.00 0.00 66.02 65.26 2pnc s SER 582 CO 0.02 -0.09 1.29 -2.65 0.41 0.00 0.00 173.24 172.22 2pnc n PRO 583 N -0.92 1.91 0.01 12.44 -0.02 -1.26 -4.86 135.00 142.29 2pnc n PRO 583 Ca -0.05 0.68 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 2pnc n PRO 583 Cb 0.60 -2.25 0.43 0.00 -0.02 0.00 0.00 33.50 32.26 2pnc n PRO 583 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pnc h ARG 584 N 3.18 0.52 -3.95 -0.52 3.08 -1.96 -3.30 114.38 111.43 2pnc h ARG 584 Ca -0.44 -0.03 -0.66 0.00 0.07 0.00 0.00 59.98 58.92 2pnc h ARG 584 Cb 1.29 -0.12 -0.39 0.00 0.08 0.00 0.00 29.97 30.83 2pnc h ARG 584 CO 0.68 0.35 -0.62 0.71 -1.07 0.00 0.00 179.97 180.02 2pnc s TYR 585 N -5.48 3.45 -0.34 3.04 2.02 -0.45 -5.01 117.35 114.58 2pnc s TYR 585 Ca -0.08 -2.99 -0.06 0.00 -0.37 0.00 0.00 57.07 53.57 2pnc s TYR 585 Cb 0.17 -2.94 0.04 0.00 -0.40 0.00 0.00 41.96 38.84 2pnc s TYR 585 CO 0.73 -0.85 0.09 -1.17 -1.57 0.00 0.00 175.55 172.79 2pnc s LEU 586 N 0.27 4.30 0.02 -1.29 2.96 -1.25 -0.87 118.68 122.83 2pnc s LEU 586 Ca 0.14 -1.20 0.05 0.00 -0.22 0.00 0.00 54.13 52.91 2pnc s LEU 586 Cb -0.23 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2pnc s LEU 586 CO -0.04 -0.33 -0.15 -0.72 -1.32 0.00 0.00 176.35 173.80 2pnc s TYR 587 N 1.37 1.29 -0.05 5.38 1.13 -1.03 -2.15 117.35 123.29 2pnc s TYR 587 Ca -0.02 -0.31 -0.24 0.00 -1.41 0.00 0.00 57.07 55.08 2pnc s TYR 587 Cb -0.20 -0.79 -0.04 0.00 -1.10 0.00 0.00 41.96 39.84 2pnc s TYR 587 CO 0.02 0.02 0.74 -0.51 -2.51 0.00 0.00 175.55 173.31 2pnc s LEU 588 N -0.86 4.33 0.26 -3.49 1.02 -1.01 -1.36 118.68 117.58 2pnc s LEU 588 Ca 0.03 1.26 0.12 0.00 0.02 0.00 0.00 54.13 55.56 2pnc s LEU 588 Cb -0.07 -3.15 -0.05 0.00 0.02 0.00 0.00 46.19 42.94 2pnc s LEU 588 CO 0.01 -0.12 -0.19 0.00 0.02 0.00 0.00 176.35 176.06 2pnc s ALA 589 N 0.77 2.74 0.62 4.21 0.00 -0.27 -1.93 121.76 127.90 2pnc s ALA 589 Ca 0.39 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 2pnc s ALA 589 Cb -0.18 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.68 2pnc s ALA 589 CO 0.20 0.31 0.88 0.45 0.00 0.00 0.00 175.76 177.59 2pnc s SER 590 N -3.37 5.06 0.20 0.00 0.15 -0.32 -1.40 113.70 114.02 2pnc s SER 590 Ca 0.28 0.18 -0.10 0.00 0.70 0.00 0.00 55.95 57.02 2pnc s SER 590 Cb -0.06 -0.96 0.14 0.00 -1.71 0.00 0.00 66.02 63.43 2pnc s SER 590 CO 0.14 -1.35 1.80 0.11 1.20 0.00 0.00 173.24 175.14 2pnc h LYS 591 N -0.23 1.05 -7.18 5.44 6.56 -1.84 -3.43 116.57 116.94 2pnc h LYS 591 Ca -0.43 -0.14 -0.46 0.00 -1.06 0.00 0.00 60.65 58.56 2pnc h LYS 591 Cb 1.30 -0.19 0.08 0.00 -0.57 0.00 0.00 32.23 32.85 2pnc h LYS 591 CO 0.55 0.80 0.14 1.14 -2.06 0.00 0.00 179.45 180.03 2pnc s GLN 592 N -5.75 1.86 0.41 3.15 -2.07 -1.26 -5.01 119.66 110.99 2pnc s GLN 592 Ca -0.13 -0.76 0.06 0.00 -1.82 0.00 0.00 55.36 52.71 2pnc s GLN 592 Cb 0.15 -2.27 -0.07 0.00 -1.09 0.00 0.00 33.01 29.73 2pnc s GLN 592 CO 0.81 -1.36 0.02 -1.12 -1.32 0.00 0.00 175.29 172.31 2pnc s SER 593 N -4.64 3.73 0.93 12.60 0.01 -1.26 -2.93 113.70 122.14 2pnc s SER 593 Ca 0.64 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2pnc s SER 593 Cb -0.07 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2pnc s SER 593 CO 0.44 -0.53 0.00 -0.46 0.41 0.00 0.00 173.24 173.10 2pnc n ASN 594 N -0.98 0.00 0.32 2.44 6.94 0.35 -4.73 115.26 119.59 2pnc n ASN 594 Ca -0.07 -0.96 0.20 0.00 -0.02 0.00 0.00 54.58 53.74 2pnc n ASN 594 Cb 0.67 0.00 1.06 0.00 -2.36 0.00 0.00 39.78 39.15 2pnc n ASN 594 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2pnc h LYS 595 N 0.00 0.00 -0.32 -3.83 3.64 -1.88 -2.57 116.57 111.61 2pnc h LYS 595 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnc h LYS 595 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2pnc h LYS 595 CO 0.00 0.01 0.00 0.91 -2.27 0.00 0.00 179.45 178.10 2pnc n TRP 596 N -3.25 0.41 -0.51 1.91 5.03 -1.26 -4.96 117.44 114.82 2pnc n TRP 596 Ca -0.02 -0.30 0.00 0.00 3.03 0.00 0.00 57.50 60.20 2pnc n TRP 596 Cb 0.12 -0.01 0.00 0.00 -1.03 0.00 0.00 31.31 30.39 2pnc n TRP 596 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2pnc n GLY 597 N 0.98 0.75 3.71 6.99 0.00 -0.97 -5.05 105.19 111.59 2pnc n GLY 597 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2pnc n GLY 597 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pnc s HIS 598 N -2.25 3.42 -0.17 1.61 3.76 -1.26 -4.79 115.29 115.60 2pnc s HIS 598 Ca 0.00 0.52 -0.39 0.00 -0.15 0.00 0.00 55.06 55.05 2pnc s HIS 598 Cb 0.00 -2.35 -0.15 0.00 1.11 0.00 0.00 32.58 31.19 2pnc s HIS 598 CO 0.00 0.17 1.66 -2.30 -0.85 0.00 0.00 174.74 173.43 2pnc n PRO 599 N 3.83 1.28 -1.64 8.40 -0.02 -1.26 -0.50 135.00 145.09 2pnc n PRO 599 Ca -0.12 0.47 -0.44 0.00 -2.02 0.00 0.00 63.50 61.39 2pnc n PRO 599 Cb 0.52 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2pnc n PRO 599 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnc n ARG 600 N 4.81 2.48 -4.09 -0.52 1.74 -1.15 -4.67 116.66 115.26 2pnc n ARG 600 Ca 0.24 0.86 -0.11 0.00 -0.77 0.00 0.00 57.85 58.06 2pnc n ARG 600 Cb 0.16 -3.00 -0.11 0.00 -1.02 0.00 0.00 32.46 28.50 2pnc n ARG 600 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2pnc s GLY 601 N 5.50 0.57 -0.17 -0.13 0.00 -0.81 -1.17 107.32 111.12 2pnc s GLY 601 Ca 0.93 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.68 2pnc s GLY 601 CO 0.42 -1.05 -0.16 -0.19 0.00 0.00 0.00 173.10 172.11 2pnc s TYR 602 N -2.31 2.45 0.07 1.90 1.51 -0.81 0.50 117.35 120.65 2pnc s TYR 602 Ca -0.02 -1.43 -0.08 0.00 -1.01 0.00 0.00 57.07 54.53 2pnc s TYR 602 Cb -0.04 -1.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 2pnc s TYR 602 CO -0.02 -0.74 0.35 -0.98 -1.11 0.00 0.00 175.55 173.05 2pnc s ARG 603 N 1.39 3.67 -0.24 -0.62 1.70 0.71 -2.40 118.95 123.16 2pnc s ARG 603 Ca 0.05 0.03 -0.09 0.00 -0.47 0.00 0.00 55.73 55.25 2pnc s ARG 603 Cb -0.13 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.22 2pnc s ARG 603 CO -0.12 0.57 0.11 0.42 -1.08 0.00 0.00 175.30 175.20 2pnc s ILE 604 N -1.42 4.78 -0.31 4.99 1.01 -0.91 -0.96 121.20 128.38 2pnc s ILE 604 Ca 0.33 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2pnc s ILE 604 Cb -0.13 -3.23 0.08 0.00 0.01 0.00 0.00 42.46 39.19 2pnc s ILE 604 CO 0.19 0.34 -0.01 -1.58 0.00 0.00 0.00 174.94 173.88 2pnc s GLN 605 N 1.31 1.96 -0.13 2.79 0.74 0.88 -4.61 119.66 122.61 2pnc s GLN 605 Ca 0.06 -1.57 -0.29 0.00 0.05 0.00 0.00 55.36 53.60 2pnc s GLN 605 Cb -0.15 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 2pnc s GLN 605 CO 0.05 -0.75 1.50 0.95 -0.55 0.00 0.00 175.29 176.49 2pnc s THR 606 N 1.05 3.87 -0.87 -0.34 -4.23 -1.26 0.23 115.64 114.09 2pnc s THR 606 Ca 0.00 1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2pnc s THR 606 Cb -0.20 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.14 2pnc s THR 606 CO -0.06 -0.14 0.78 0.52 -0.54 0.00 0.00 174.62 175.18 2pnc n VAL 607 N 5.63 2.92 -3.56 2.29 0.31 0.16 -4.92 118.33 121.16 2pnc n VAL 607 Ca 0.16 -5.13 -0.01 0.00 -0.01 0.00 0.00 64.34 59.35 2pnc n VAL 607 Cb 0.44 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 31.00 2pnc n VAL 607 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2pnc s SER 608 N -0.56 -0.81 1.13 4.52 0.15 -1.25 0.17 113.70 117.04 2pnc s SER 608 Ca 0.28 1.16 -0.13 0.00 0.70 0.00 0.00 55.95 57.97 2pnc s SER 608 Cb -0.05 1.78 0.26 0.00 -1.71 0.00 0.00 66.02 66.31 2pnc s SER 608 CO -0.12 -0.17 1.04 -0.36 1.20 0.00 0.00 173.24 174.84 2pnc s PHE 609 N 2.32 1.53 -0.63 3.44 0.08 -1.24 -4.79 117.98 118.70 2pnc s PHE 609 Ca -0.06 1.06 -0.07 0.00 0.12 0.00 0.00 56.93 57.98 2pnc s PHE 609 Cb -0.08 -3.15 0.16 0.00 -0.57 0.00 0.00 43.02 39.39 2pnc s PHE 609 CO -0.18 -3.64 0.49 0.00 -0.10 0.00 0.00 175.22 171.78 2pnc s ALA 610 N -2.63 3.64 0.34 5.36 0.00 -1.26 -3.97 121.76 123.25 2pnc s ALA 610 Ca 0.68 -3.11 0.13 0.00 0.00 0.00 0.00 51.96 49.66 2pnc s ALA 610 Cb -0.22 -2.88 1.10 0.00 0.00 0.00 0.00 23.12 21.11 2pnc s ALA 610 CO 0.62 -2.09 1.58 0.78 0.00 0.00 0.00 175.76 176.65 2pnc h GLY 611 N 7.52 1.86 0.00 0.00 0.00 -1.78 -3.43 103.07 107.25 2pnc h GLY 611 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2pnc h GLY 611 CO 0.75 -0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2pnc n GLY 612 N -1.35 1.52 3.77 4.60 0.00 -1.26 -4.55 105.19 107.91 2pnc n GLY 612 Ca 0.32 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 2pnc n GLY 612 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnc s PRO 613 N -3.34 3.92 0.19 1.61 0.04 -1.26 -4.97 135.00 131.19 2pnc s PRO 613 Ca 0.00 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 2pnc s PRO 613 Cb 0.00 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 2pnc s PRO 613 CO 0.00 -0.48 1.43 1.41 0.04 0.00 0.00 177.00 179.40 2pnc s MET 614 N -2.36 4.29 0.35 4.56 -2.45 -1.26 -4.97 119.30 117.46 2pnc s MET 614 Ca 0.59 2.22 -0.28 0.00 -1.25 0.00 0.00 55.69 56.98 2pnc s MET 614 Cb -0.34 -3.16 -0.12 0.00 1.25 0.00 0.00 34.83 32.46 2pnc s MET 614 CO 0.43 -0.43 1.29 -2.30 1.05 0.00 0.00 175.02 175.05 2pnc n PRO 615 N 3.08 2.11 0.00 4.11 -0.02 -1.26 -4.84 135.00 138.18 2pnc n PRO 615 Ca 0.09 0.74 0.08 0.00 -2.02 0.00 0.00 63.50 62.40 2pnc n PRO 615 Cb 0.41 -2.34 0.47 0.00 -0.02 0.00 0.00 33.50 32.02 2pnc n PRO 615 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2pnc n GLN 616 N 0.49 0.43 0.13 -0.52 6.02 -1.26 -1.68 117.38 121.00 2pnc n GLN 616 Ca 0.05 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.21 2pnc n GLN 616 Cb 0.36 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.53 2pnc n GLN 616 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2pnc h ASN 617 N 0.00 0.00 -2.60 1.08 2.35 -2.02 -3.45 115.58 110.93 2pnc h ASN 617 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2pnc h ASN 617 Cb 0.05 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.45 2pnc h ASN 617 CO 0.00 0.00 1.06 -0.55 -1.65 0.00 0.00 177.43 176.29 2pnc s SER 618 N -4.74 6.54 0.21 5.81 0.15 -0.67 -4.86 113.70 116.13 2pnc s SER 618 Ca 0.08 2.57 0.13 0.00 0.70 0.00 0.00 55.95 59.43 2pnc s SER 618 Cb 0.11 -2.56 0.70 0.00 -1.71 0.00 0.00 66.02 62.55 2pnc s SER 618 CO 0.56 -0.94 1.36 -0.81 1.20 0.00 0.00 173.24 174.61 2pnc n PRO 619 N 5.92 0.08 0.00 5.44 -0.04 -1.26 -1.67 135.00 143.48 2pnc n PRO 619 Ca 0.17 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2pnc n PRO 619 Cb 0.40 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2pnc n PRO 619 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pnc n MET 620 N -1.95 1.61 -0.09 0.54 0.00 -1.26 -4.32 117.12 111.65 2pnc n MET 620 Ca -0.01 -1.12 0.02 0.00 0.00 0.00 0.00 57.70 56.59 2pnc n MET 620 Cb 0.09 -0.96 0.32 0.00 0.00 0.00 0.00 33.22 32.67 2pnc n MET 620 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2pnc h GLU 621 N 0.00 0.73 -0.84 3.17 4.22 -1.61 -2.61 114.58 117.64 2pnc h GLU 621 Ca 0.00 -0.06 0.18 0.00 0.08 0.00 0.00 59.36 59.55 2pnc h GLU 621 Cb 0.38 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2pnc h GLU 621 CO 0.00 0.53 0.56 0.00 -2.18 0.00 0.00 179.01 177.92 2pnc h ARG 622 N 0.75 0.41 -0.58 1.92 3.08 -1.84 -1.23 114.38 116.89 2pnc h ARG 622 Ca 0.19 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2pnc h ARG 622 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2pnc h ARG 622 CO -0.03 0.27 0.30 0.00 -1.07 0.00 0.00 179.97 179.43 2pnc h ALA 623 N 1.62 1.45 -1.38 0.04 0.00 -1.61 -2.79 119.26 116.59 2pnc h ALA 623 Ca 0.43 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.64 2pnc h ALA 623 Cb 1.03 -0.23 -0.41 0.00 0.00 0.00 0.00 17.79 18.17 2pnc h ALA 623 CO -0.15 0.45 -0.64 1.97 0.00 0.00 0.00 179.25 180.88 2pnc n PHE 624 N -4.38 3.30 0.47 0.00 -1.74 -0.52 -4.73 117.46 109.86 2pnc n PHE 624 Ca 0.05 -2.95 0.06 0.00 -0.56 0.00 0.00 57.45 54.05 2pnc n PHE 624 Cb 0.11 -0.19 0.27 0.00 1.52 0.00 0.00 39.48 41.20 2pnc n PHE 624 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2pnc n SER 625 N -0.52 0.00 0.23 5.98 3.41 -0.87 -1.31 113.62 120.54 2pnc n SER 625 Ca 0.41 0.38 0.16 0.00 -0.26 0.00 0.00 58.87 59.55 2pnc n SER 625 Cb 0.68 -0.43 0.71 0.00 -0.26 0.00 0.00 64.21 64.91 2pnc n SER 625 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pnc h TRP 626 N 0.00 0.00 0.00 7.33 5.08 -1.86 -2.56 115.95 123.94 2pnc h TRP 626 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2pnc h TRP 626 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 2pnc h TRP 626 CO 0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 2pnc n GLY 627 N -0.27 -1.24 0.17 11.11 0.00 -0.43 -3.04 105.19 111.49 2pnc n GLY 627 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2pnc n GLY 627 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pnc h ARG 628 N 0.00 0.00 -6.19 1.61 3.08 -1.66 -3.44 114.38 107.78 2pnc h ARG 628 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2pnc h ARG 628 Cb 0.34 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.12 2pnc h ARG 628 CO 0.00 0.44 -0.82 0.71 -1.07 0.00 0.00 179.97 179.23 2pnc s TYR 629 N -3.54 2.57 0.22 3.04 1.51 -1.17 0.13 117.35 120.11 2pnc s TYR 629 Ca 0.00 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2pnc s TYR 629 Cb 0.11 -1.62 0.19 0.00 -0.11 0.00 0.00 41.96 40.53 2pnc s TYR 629 CO 0.71 -0.01 1.52 0.37 -1.11 0.00 0.00 175.55 177.02 2pnc h GLN 630 N 5.72 0.16 -1.79 -0.62 5.75 -0.50 -3.34 115.11 120.49 2pnc h GLN 630 Ca -0.40 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.03 2pnc h GLN 630 Cb 1.16 0.03 -0.24 0.00 1.07 0.00 0.00 27.48 29.50 2pnc h GLN 630 CO 0.49 0.79 0.20 -1.17 -2.65 0.00 0.00 178.83 176.49 2pnc s LEU 631 N -7.68 -0.73 -0.00 -2.39 2.96 -1.22 -2.00 118.68 107.62 2pnc s LEU 631 Ca -0.03 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 2pnc s LEU 631 Cb 0.12 2.11 -0.00 0.00 0.50 0.00 0.00 46.19 48.91 2pnc s LEU 631 CO 0.80 -0.19 -0.03 0.00 -1.32 0.00 0.00 176.35 175.61 2pnc s ALA 632 N 1.33 0.25 -0.16 5.97 0.00 -0.12 -1.04 121.76 128.00 2pnc s ALA 632 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2pnc s ALA 632 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2pnc s ALA 632 CO -0.16 0.05 -0.16 0.42 0.00 0.00 0.00 175.76 175.92 2pnc s ILE 633 N 0.00 2.60 0.11 0.00 -1.09 -1.03 0.34 121.20 122.13 2pnc s ILE 633 Ca 0.00 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2pnc s ILE 633 Cb -0.02 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 2pnc s ILE 633 CO -0.00 0.52 -0.08 0.42 -1.23 0.00 0.00 174.94 174.57 2pnc s THR 634 N 0.88 0.84 0.05 2.92 -4.23 0.00 -4.68 115.64 111.43 2pnc s THR 634 Ca -0.04 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 2pnc s THR 634 Cb -0.15 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 2pnc s THR 634 CO -0.01 -0.83 1.72 -1.10 -0.54 0.00 0.00 174.62 173.85 2pnc s GLN 635 N -3.78 4.18 0.20 3.99 -0.21 -1.26 0.36 119.66 123.14 2pnc s GLN 635 Ca 0.13 2.38 -0.31 0.00 0.02 0.00 0.00 55.36 57.58 2pnc s GLN 635 Cb 0.04 -3.74 -0.10 0.00 1.00 0.00 0.00 33.01 30.21 2pnc s GLN 635 CO -0.03 -0.80 1.53 0.50 -2.12 0.00 0.00 175.29 174.38 2pnc s ARG 636 N 3.14 4.22 0.03 2.91 3.52 0.00 -4.84 118.95 127.93 2pnc s ARG 636 Ca 0.77 2.37 0.02 0.00 -0.13 0.00 0.00 55.73 58.76 2pnc s ARG 636 Cb -0.40 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2pnc s ARG 636 CO 0.33 -0.55 -0.08 0.15 -0.81 0.00 0.00 175.30 174.34 2pnc s LYS 637 N 0.52 0.56 0.14 5.12 1.02 -1.26 -4.95 119.74 120.89 2pnc s LYS 637 Ca 0.66 -0.58 0.20 0.00 0.02 0.00 0.00 55.97 56.27 2pnc s LYS 637 Cb -0.44 -0.44 0.83 0.00 -0.52 0.00 0.00 37.83 37.26 2pnc s LYS 637 CO 0.37 0.10 1.62 -1.91 -0.92 0.00 0.00 175.35 174.61 2pnc n GLU 638 N 2.00 0.11 0.00 1.68 4.07 -1.26 -1.72 120.64 125.51 2pnc n GLU 638 Ca -0.19 0.32 0.14 0.00 -0.06 0.00 0.00 57.16 57.37 2pnc n GLU 638 Cb 0.56 -1.70 0.46 0.00 -0.06 0.00 0.00 31.44 30.70 2pnc n GLU 638 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2pnc n THR 639 N -1.90 0.00 -3.28 6.31 -2.24 -1.26 -4.41 114.28 107.50 2pnc n THR 639 Ca 0.03 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 2pnc n THR 639 Cb 0.22 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 2pnc n THR 639 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pnc n GLU 640 N 0.10 1.43 0.11 -0.78 1.02 -0.70 -4.94 120.64 116.88 2pnc n GLU 640 Ca 0.17 -3.79 -0.00 0.00 -0.02 0.00 0.00 57.16 53.52 2pnc n GLU 640 Cb 0.37 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 2pnc n GLU 640 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pnc h PRO 641 N 4.06 0.00 -4.07 3.49 0.13 -1.77 -3.42 132.00 130.42 2pnc h PRO 641 Ca 0.12 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.09 2pnc h PRO 641 Cb 0.79 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.73 2pnc h PRO 641 CO 0.61 0.64 -0.69 -1.12 -0.23 0.00 0.00 178.00 177.20 2pnc s SER 642 N -6.51 0.33 0.00 1.44 0.01 -1.26 -5.02 113.70 102.68 2pnc s SER 642 Ca 0.03 -0.66 0.26 0.00 1.31 0.00 0.00 55.95 56.89 2pnc s SER 642 Cb 0.08 0.13 0.74 0.00 0.21 0.00 0.00 66.02 67.18 2pnc s SER 642 CO 0.77 -0.39 1.56 -1.54 0.41 0.00 0.00 173.24 174.04 2pnc n SER 643 N 1.13 0.88 -0.75 2.44 3.41 -1.26 -4.94 113.62 114.52 2pnc n SER 643 Ca -0.21 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2pnc n SER 643 Cb 0.57 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2pnc n SER 643 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2pnc n SER 644 N -0.84 0.00 -3.47 4.04 2.88 -1.26 -3.99 113.62 110.98 2pnc n SER 644 Ca 0.11 -0.75 -0.14 0.00 -1.33 0.00 0.00 58.87 56.75 2pnc n SER 644 Cb 0.34 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 2pnc n SER 644 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pnc s SER 645 N -0.44 -0.60 0.46 -3.46 0.15 -1.26 -4.78 113.70 103.76 2pnc s SER 645 Ca 0.00 0.31 0.16 0.00 0.70 0.00 0.00 55.95 57.12 2pnc s SER 645 Cb 0.00 0.57 1.08 0.00 -1.71 0.00 0.00 66.02 65.96 2pnc s SER 645 CO 0.00 -0.80 2.02 0.58 1.20 0.00 0.00 173.24 176.24 2pnc h VAL 646 N 2.43 1.06 -0.01 4.45 2.07 -1.95 -2.88 116.25 121.42 2pnc h VAL 646 Ca -0.31 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2pnc h VAL 646 Cb 1.23 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2pnc h VAL 646 CO 0.38 0.15 -0.06 0.49 0.02 0.00 0.00 177.57 178.55 2pnc n PHE 647 N -4.27 0.00 0.07 1.57 3.72 -1.26 -3.85 117.46 113.44 2pnc n PHE 647 Ca -0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 2pnc n PHE 647 Cb 0.23 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 2pnc n PHE 647 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2pnc h ASN 648 N 1.27 0.57 -0.48 4.37 4.21 -1.79 -3.31 115.58 120.42 2pnc h ASN 648 Ca 0.00 -0.49 0.05 0.00 1.21 0.00 0.00 56.30 57.07 2pnc h ASN 648 Cb 0.36 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.34 2pnc h ASN 648 CO 0.00 1.30 0.21 -0.61 -1.29 0.00 0.00 177.43 177.04 2pnc h GLN 649 N 0.22 0.40 -0.00 0.81 5.75 -1.76 -0.73 115.11 119.80 2pnc h GLN 649 Ca -0.10 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2pnc h GLN 649 Cb 1.68 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.14 2pnc h GLN 649 CO 0.18 0.27 -0.32 0.09 -2.65 0.00 0.00 178.83 176.39 2pnc n ASN 650 N -4.95 0.63 -3.02 -0.69 3.02 -1.26 -4.33 115.26 104.66 2pnc n ASN 650 Ca 0.04 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 53.96 2pnc n ASN 650 Cb 0.15 0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 2pnc n ASN 650 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pnc n ASP 651 N -1.13 -0.94 0.22 6.41 2.03 -0.96 -4.66 116.55 117.51 2pnc n ASP 651 Ca 0.09 -2.95 0.14 0.00 0.52 0.00 0.00 54.79 52.59 2pnc n ASP 651 Cb 0.33 0.30 0.39 0.00 -0.72 0.00 0.00 41.12 41.42 2pnc n ASP 651 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2pnc h PRO 652 N 3.92 0.00 -0.07 -0.67 0.13 -1.34 -3.18 132.00 130.79 2pnc h PRO 652 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 2pnc h PRO 652 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2pnc h PRO 652 CO 0.41 0.00 -0.30 -1.49 -0.23 0.00 0.00 178.00 176.39 2pnc h TRP 653 N 0.00 0.13 -3.01 1.56 6.55 -1.87 -3.26 115.95 116.06 2pnc h TRP 653 Ca 0.00 -0.02 -0.62 0.00 0.95 0.00 0.00 58.89 59.20 2pnc h TRP 653 Cb 0.76 -0.03 -0.40 0.00 -0.86 0.00 0.00 29.16 28.63 2pnc h TRP 653 CO 0.00 0.41 -0.71 0.99 -1.05 0.00 0.00 178.44 178.08 2pnc s THR 654 N -4.37 1.80 0.24 1.49 2.01 -1.20 -4.92 115.64 110.68 2pnc s THR 654 Ca -0.04 -3.06 -0.30 0.00 0.31 0.00 0.00 61.69 58.60 2pnc s THR 654 Cb 0.15 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.32 2pnc s THR 654 CO 0.74 -0.94 1.52 -2.16 -0.69 0.00 0.00 174.62 173.09 2pnc s PRO 655 N -0.17 4.21 0.13 4.92 0.04 -1.23 -4.90 135.00 138.01 2pnc s PRO 655 Ca 0.21 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 63.51 2pnc s PRO 655 Cb -0.17 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2pnc s PRO 655 CO -0.06 -0.53 1.58 1.15 0.04 0.00 0.00 177.00 179.18 2pnc h THR 656 N 3.63 1.26 -3.26 1.26 2.02 -1.83 -3.40 112.91 112.58 2pnc h THR 656 Ca -0.45 -1.02 -0.62 0.00 0.77 0.00 0.00 66.41 65.08 2pnc h THR 656 Cb 1.21 1.06 -0.36 0.00 -1.74 0.00 0.00 68.15 68.32 2pnc h THR 656 CO 0.82 0.35 -0.83 -0.69 0.37 0.00 0.00 175.52 175.55 2pnc s VAL 657 N -5.02 1.71 -0.43 3.16 1.01 -1.26 -5.02 120.40 114.55 2pnc s VAL 657 Ca -0.13 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2pnc s VAL 657 Cb 0.11 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.92 2pnc s VAL 657 CO 0.80 0.34 0.25 -0.62 0.00 0.00 0.00 175.10 175.87 2pnc s ASP 658 N 1.40 5.43 0.38 3.32 2.15 -1.26 -4.71 116.67 123.37 2pnc s ASP 658 Ca 0.02 -1.92 0.12 0.00 0.43 0.00 0.00 52.55 51.21 2pnc s ASP 658 Cb -0.14 -1.90 0.92 0.00 -0.30 0.00 0.00 42.92 41.50 2pnc s ASP 658 CO -0.10 -0.58 1.87 0.15 -0.17 0.00 0.00 175.17 176.33 2pnc h PHE 659 N 8.22 0.71 -0.40 -5.34 3.57 -1.77 -0.56 116.94 121.37 2pnc h PHE 659 Ca -0.17 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.47 2pnc h PHE 659 Cb 1.06 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2pnc h PHE 659 CO 0.59 0.23 0.36 0.66 -2.23 0.00 0.00 178.31 177.92 2pnc h SER 660 N 0.57 0.00 -0.03 0.41 4.64 -1.87 0.53 113.55 117.80 2pnc h SER 660 Ca 0.45 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.78 2pnc h SER 660 Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2pnc h SER 660 CO -0.20 0.00 0.02 0.44 -0.87 0.00 0.00 176.83 176.22 2pnc h ASP 661 N 0.00 0.01 -0.30 4.97 3.45 -1.51 -2.39 116.42 120.66 2pnc h ASP 661 Ca 0.19 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 2pnc h ASP 661 Cb 0.90 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.65 2pnc h ASP 661 CO -0.00 0.01 0.09 -0.26 -1.57 0.00 0.00 179.24 177.50 2pnc h PHE 662 N 0.02 0.56 -3.45 4.55 -1.00 -1.06 -3.38 116.94 113.18 2pnc h PHE 662 Ca 0.01 -0.04 -0.59 0.00 2.81 0.00 0.00 57.97 60.17 2pnc h PHE 662 Cb 0.03 -0.17 -0.10 0.00 3.61 0.00 0.00 35.95 39.32 2pnc h PHE 662 CO -0.00 0.49 0.70 0.42 -1.61 0.00 0.00 178.31 178.31 2pnc s ILE 663 N -5.14 4.32 -0.01 -0.55 1.01 -0.90 -4.85 121.20 115.08 2pnc s ILE 663 Ca -0.08 0.71 0.22 0.00 0.00 0.00 0.00 60.65 61.50 2pnc s ILE 663 Cb 0.16 -4.55 0.37 0.00 0.01 0.00 0.00 42.46 38.45 2pnc s ILE 663 CO 0.76 -1.04 1.14 -0.46 0.00 0.00 0.00 174.94 175.35 2pnc n ASN 664 N 7.59 0.70 -0.08 3.58 6.94 -1.26 -5.00 115.26 127.73 2pnc n ASN 664 Ca 0.06 -2.00 -0.01 0.00 -0.02 0.00 0.00 54.58 52.61 2pnc n ASN 664 Cb 0.48 -0.21 -0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2pnc n ASN 664 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2pnc n ASN 665 N 0.36 -3.73 -4.78 0.53 5.15 -1.26 -5.01 115.26 106.53 2pnc n ASN 665 Ca 0.01 0.03 -0.34 0.00 -0.60 0.00 0.00 54.58 53.68 2pnc n ASN 665 Cb 1.07 -1.33 0.02 0.00 -0.53 0.00 0.00 39.78 39.01 2pnc n ASN 665 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2pnc s GLU 666 N -0.90 3.12 0.42 1.20 2.02 -1.26 -4.62 118.70 118.68 2pnc s GLU 666 Ca 0.00 1.45 -0.25 0.00 0.02 0.00 0.00 54.97 56.19 2pnc s GLU 666 Cb 0.00 -1.99 -0.08 0.00 0.10 0.00 0.00 34.13 32.16 2pnc s GLU 666 CO 0.00 -1.00 1.21 -0.08 0.02 0.00 0.00 175.26 175.41 2pnc s THR 667 N -2.13 2.95 -0.08 3.63 -1.32 -1.26 -0.68 115.64 116.76 2pnc s THR 667 Ca 0.69 0.79 0.11 0.00 -1.21 0.00 0.00 61.69 62.06 2pnc s THR 667 Cb -0.21 -3.44 0.17 0.00 -1.51 0.00 0.00 72.50 67.51 2pnc s THR 667 CO 0.34 0.06 1.06 2.30 -2.21 0.00 0.00 174.62 176.18 2pnc n ILE 668 N -0.10 1.35 -3.38 5.08 -5.35 0.11 -4.79 119.36 112.28 2pnc n ILE 668 Ca 0.05 -1.57 -0.45 0.00 -0.27 0.00 0.00 62.75 60.52 2pnc n ILE 668 Cb 0.46 0.10 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 2pnc n ILE 668 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pnc s ALA 669 N -1.92 3.74 0.00 -1.28 0.00 -1.25 -4.25 121.76 116.80 2pnc s ALA 669 Ca 0.19 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.31 2pnc s ALA 669 Cb 0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2pnc s ALA 669 CO 0.02 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.10 2pnc n GLY 670 N 4.67 1.56 3.57 0.00 0.00 -0.33 -5.00 105.19 109.66 2pnc n GLY 670 Ca -0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2pnc n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnc s LYS 671 N -1.52 1.87 -0.41 1.61 -0.14 -1.02 -4.59 119.74 115.53 2pnc s LYS 671 Ca 0.00 -2.02 -0.29 0.00 -1.36 0.00 0.00 55.97 52.30 2pnc s LYS 671 Cb 0.00 -1.59 0.01 0.00 -1.68 0.00 0.00 37.83 34.57 2pnc s LYS 671 CO 0.00 0.01 1.46 0.34 -0.76 0.00 0.00 175.35 176.41 2pnc s ASP 672 N -3.65 6.26 0.02 2.83 2.15 -1.26 -1.14 116.67 121.88 2pnc s ASP 672 Ca 0.34 0.85 -0.00 0.00 0.43 0.00 0.00 52.55 54.16 2pnc s ASP 672 Cb 0.07 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2pnc s ASP 672 CO 0.17 -1.49 0.13 -0.76 -0.17 0.00 0.00 175.17 173.05 2pnc s LEU 673 N 5.67 4.09 0.04 -1.34 1.02 -1.26 -0.82 118.68 126.08 2pnc s LEU 673 Ca 0.63 0.20 0.09 0.00 0.02 0.00 0.00 54.13 55.06 2pnc s LEU 673 Cb -0.14 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 2pnc s LEU 673 CO 0.32 0.24 -0.25 -0.69 0.02 0.00 0.00 176.35 175.99 2pnc s VAL 674 N -1.32 2.25 -0.14 -1.59 1.01 0.16 -4.24 120.40 116.53 2pnc s VAL 674 Ca 0.27 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2pnc s VAL 674 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2pnc s VAL 674 CO 0.19 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 2pnc s ALA 675 N -0.80 2.74 -0.23 5.51 0.00 -0.61 -0.81 121.76 127.56 2pnc s ALA 675 Ca 0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2pnc s ALA 675 Cb -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2pnc s ALA 675 CO 0.02 0.25 -0.07 -1.58 0.00 0.00 0.00 175.76 174.38 2pnc s TRP 676 N 0.33 2.97 -0.18 0.00 0.52 0.15 0.12 118.94 122.86 2pnc s TRP 676 Ca -0.08 -1.28 -0.05 0.00 0.02 0.00 0.00 56.10 54.71 2pnc s TRP 676 Cb -0.15 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2pnc s TRP 676 CO 0.05 -0.66 -0.01 0.08 0.02 0.00 0.00 176.95 176.43 2pnc s VAL 677 N 1.39 3.93 -0.19 4.03 1.01 -0.77 -0.94 120.40 128.86 2pnc s VAL 677 Ca 0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2pnc s VAL 677 Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2pnc s VAL 677 CO -0.05 0.45 0.06 -0.89 0.00 0.00 0.00 175.10 174.67 2pnc s THR 678 N 0.78 4.70 0.03 3.92 2.01 -0.85 -1.36 115.64 124.88 2pnc s THR 678 Ca -0.00 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2pnc s THR 678 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2pnc s THR 678 CO 0.02 0.44 -0.07 0.00 -0.69 0.00 0.00 174.62 174.31 2pnc s ALA 679 N 0.61 0.55 0.00 7.40 0.00 -0.85 -4.69 121.76 124.78 2pnc s ALA 679 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2pnc s ALA 679 Cb -0.13 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2pnc s ALA 679 CO 0.01 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2pnc n GLY 680 N 1.70 -1.32 3.38 0.00 0.00 -1.25 -0.96 105.19 106.73 2pnc n GLY 680 Ca -0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 2pnc n GLY 680 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnc s PHE 681 N -2.85 -0.41 0.03 1.61 -0.12 -0.64 -3.66 117.98 111.95 2pnc s PHE 681 Ca 0.00 0.18 -0.24 0.00 -0.05 0.00 0.00 56.93 56.82 2pnc s PHE 681 Cb 0.00 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2pnc s PHE 681 CO 0.00 -0.78 0.72 -1.17 -0.05 0.00 0.00 175.22 173.94 2pnc s LEU 682 N -2.70 4.44 -0.33 -1.99 0.20 -1.26 -0.86 118.68 116.18 2pnc s LEU 682 Ca 0.01 1.37 0.01 0.00 0.69 0.00 0.00 54.13 56.21 2pnc s LEU 682 Cb 0.00 -3.15 0.10 0.00 -0.43 0.00 0.00 46.19 42.72 2pnc s LEU 682 CO -0.12 0.04 0.10 -2.28 -0.29 0.00 0.00 176.35 173.79 2pnc s HIS 683 N -0.08 2.36 -0.56 5.38 5.65 0.57 -4.98 115.29 123.64 2pnc s HIS 683 Ca 0.37 -2.18 -0.20 0.00 0.25 0.00 0.00 55.06 53.29 2pnc s HIS 683 Cb -0.20 -2.10 0.07 0.00 -1.18 0.00 0.00 32.58 29.17 2pnc s HIS 683 CO 0.21 -0.89 0.74 0.42 -0.65 0.00 0.00 174.74 174.58 2pnc s ILE 684 N 1.29 4.70 0.57 0.89 1.01 -1.26 -2.90 121.20 125.50 2pnc s ILE 684 Ca 0.11 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 2pnc s ILE 684 Cb -0.18 -4.44 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 2pnc s ILE 684 CO -0.18 -1.03 0.94 -2.65 0.00 0.00 0.00 174.94 172.02 2pnc n PRO 685 N 6.64 0.96 -3.97 2.79 -0.02 -1.26 -4.96 135.00 135.18 2pnc n PRO 685 Ca -0.06 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2pnc n PRO 685 Cb 0.45 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 2pnc n PRO 685 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2pnc s HIS 686 N -1.49 0.41 0.35 6.00 -3.43 -1.26 -4.18 115.29 111.69 2pnc s HIS 686 Ca 0.73 -0.77 0.15 0.00 -0.80 0.00 0.00 55.06 54.38 2pnc s HIS 686 Cb -0.44 -0.02 1.11 0.00 -1.43 0.00 0.00 32.58 31.80 2pnc s HIS 686 CO 0.49 -0.78 1.66 0.00 -2.00 0.00 0.00 174.74 174.12 2pnc h ALA 687 N 2.47 1.99 0.00 -1.38 0.00 -1.92 0.50 119.26 120.93 2pnc h ALA 687 Ca -0.31 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pnc h ALA 687 Cb 1.24 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2pnc h ALA 687 CO 0.46 -0.62 -0.01 0.93 0.00 0.00 0.00 179.25 180.01 2pnc h GLU 688 N 0.30 0.00 -0.05 0.00 3.07 -1.96 -2.13 114.58 113.81 2pnc h GLU 688 Ca 0.74 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.60 2pnc h GLU 688 Cb 1.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.64 2pnc h GLU 688 CO -0.61 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 176.76 2pnc n ASP 689 N -3.21 0.05 -4.04 1.42 8.00 0.17 -4.70 116.55 114.25 2pnc n ASP 689 Ca -0.02 -1.87 -0.26 0.00 0.71 0.00 0.00 54.79 53.35 2pnc n ASP 689 Cb 0.11 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 2pnc n ASP 689 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnc s ILE 690 N -1.95 1.25 -0.71 0.53 1.01 -0.80 -2.97 121.20 117.57 2pnc s ILE 690 Ca 0.00 -0.53 0.26 0.00 0.00 0.00 0.00 60.65 60.38 2pnc s ILE 690 Cb 0.00 -1.14 0.28 0.00 0.01 0.00 0.00 42.46 41.61 2pnc s ILE 690 CO 0.00 0.38 1.77 -0.81 0.00 0.00 0.00 174.94 176.29 2pnc n PRO 691 N 3.92 0.26 -4.41 2.79 -0.04 -1.26 -5.03 135.00 131.22 2pnc n PRO 691 Ca -0.21 0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 2pnc n PRO 691 Cb 0.52 -1.81 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 2pnc n PRO 691 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2pnc s ASN 692 N -4.52 1.89 -0.08 3.54 0.01 -1.16 -4.60 114.94 110.03 2pnc s ASN 692 Ca 0.10 -0.49 -0.25 0.00 -0.71 0.00 0.00 52.86 51.51 2pnc s ASN 692 Cb 0.12 -0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.62 2pnc s ASN 692 CO 0.58 0.06 0.79 0.42 -1.51 0.00 0.00 177.10 177.44 2pnc s THR 693 N -0.86 4.97 0.37 1.60 -4.23 -0.08 -4.34 115.64 113.07 2pnc s THR 693 Ca 0.03 1.61 0.01 0.00 -1.18 0.00 0.00 61.69 62.17 2pnc s THR 693 Cb -0.08 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.62 2pnc s THR 693 CO 0.02 0.18 0.57 0.68 -0.54 0.00 0.00 174.62 175.53 2pnc s VAL 694 N 1.16 4.61 -1.61 2.29 -7.23 -1.26 -2.36 120.40 115.99 2pnc s VAL 694 Ca 0.41 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 2pnc s VAL 694 Cb -0.18 -3.67 0.06 0.00 0.56 0.00 0.00 36.38 33.15 2pnc s VAL 694 CO 0.19 -0.42 0.89 0.35 -0.31 0.00 0.00 175.10 175.80 2pnc n THR 695 N -1.85 0.15 -1.70 5.32 -2.24 -1.26 -4.86 114.28 107.84 2pnc n THR 695 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2pnc n THR 695 Cb 0.57 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 2pnc n THR 695 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pnc s VAL 696 N -1.64 2.50 -1.95 2.28 1.01 -1.26 -4.58 120.40 116.76 2pnc s VAL 696 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2pnc s VAL 696 Cb 0.03 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2pnc s VAL 696 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2pnc n GLY 697 N 4.24 0.64 0.16 4.51 0.00 -1.26 -4.90 105.19 108.59 2pnc n GLY 697 Ca 0.18 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 44.05 2pnc n GLY 697 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pnc n ASN 698 N 1.17 2.15 0.00 1.61 2.85 -1.26 -5.11 115.26 116.66 2pnc n ASN 698 Ca 0.00 -1.92 0.00 0.00 -0.11 0.00 0.00 54.58 52.55 2pnc n ASN 698 Cb 0.00 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2pnc n ASN 698 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pnc n GLY 699 N -0.20 -1.49 3.04 8.20 0.00 -1.26 -4.93 105.19 108.55 2pnc n GLY 699 Ca 0.03 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2pnc n GLY 699 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnc s VAL 700 N 0.00 -0.04 0.00 1.61 1.01 -0.69 -4.91 120.40 117.37 2pnc s VAL 700 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2pnc s VAL 700 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2pnc s VAL 700 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2pnc n GLY 701 N 4.23 -0.43 3.84 4.51 0.00 0.46 0.16 105.19 117.94 2pnc n GLY 701 Ca -0.26 0.34 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2pnc n GLY 701 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnc s PHE 702 N 0.00 0.02 0.03 1.61 -0.12 0.31 0.36 117.98 120.19 2pnc s PHE 702 Ca 0.00 -0.42 0.05 0.00 -0.05 0.00 0.00 56.93 56.52 2pnc s PHE 702 Cb 0.00 0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 2pnc s PHE 702 CO 0.00 -0.96 -0.15 -0.06 -0.05 0.00 0.00 175.22 174.00 2pnc s PHE 703 N -2.50 1.35 -0.21 3.49 0.40 0.14 -1.53 117.98 119.11 2pnc s PHE 703 Ca 0.18 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2pnc s PHE 703 Cb -0.02 -0.81 0.03 0.00 0.51 0.00 0.00 43.02 42.72 2pnc s PHE 703 CO 0.05 0.04 -0.16 -0.51 0.70 0.00 0.00 175.22 175.34 2pnc s LEU 704 N -1.00 2.59 -0.04 -0.37 1.43 0.11 -0.08 118.68 121.32 2pnc s LEU 704 Ca 0.03 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2pnc s LEU 704 Cb -0.08 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2pnc s LEU 704 CO 0.01 -0.06 -0.06 -0.13 0.23 0.00 0.00 176.35 176.34 2pnc s ARG 705 N 1.25 0.87 0.16 1.70 0.52 -0.13 -0.36 118.95 122.96 2pnc s ARG 705 Ca 0.01 -0.18 -0.33 0.00 -0.52 0.00 0.00 55.73 54.71 2pnc s ARG 705 Cb -0.15 -0.83 -0.13 0.00 0.52 0.00 0.00 34.95 34.36 2pnc s ARG 705 CO -0.10 -0.00 1.68 -0.35 0.02 0.00 0.00 175.30 176.55 2pnc n PRO 706 N 3.71 2.46 -3.56 3.54 -0.04 -1.26 -0.21 135.00 139.64 2pnc n PRO 706 Ca -0.22 0.89 -0.29 0.00 -0.04 0.00 0.00 63.50 63.84 2pnc n PRO 706 Cb 0.52 -2.71 -0.13 0.00 -0.04 0.00 0.00 33.50 31.15 2pnc n PRO 706 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2pnc s TYR 707 N 1.36 1.07 -1.08 0.54 5.04 0.18 -4.77 117.35 119.69 2pnc s TYR 707 Ca 0.78 -1.73 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 2pnc s TYR 707 Cb -0.59 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.49 2pnc s TYR 707 CO 0.36 -0.82 0.00 0.09 -1.34 0.00 0.00 175.55 173.84 2pnc n ASN 708 N 4.17 -4.14 0.05 4.32 3.02 -1.26 -1.92 115.26 119.50 2pnc n ASN 708 Ca 0.07 0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 54.64 2pnc n ASN 708 Cb 0.38 -2.68 -0.15 0.00 -0.61 0.00 0.00 39.78 36.72 2pnc n ASN 708 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2pnc h PHE 709 N 0.00 0.56 -1.41 3.10 3.57 -1.83 -3.28 116.94 117.65 2pnc h PHE 709 Ca -0.22 -0.40 -0.46 0.00 3.53 0.00 0.00 57.97 60.42 2pnc h PHE 709 Cb 0.75 -0.02 0.04 0.00 2.79 0.00 0.00 35.95 39.50 2pnc h PHE 709 CO 0.29 1.31 -0.12 -0.06 -2.23 0.00 0.00 178.31 177.50 2pnc s PHE 710 N -2.46 2.09 -0.13 0.41 0.08 -1.26 -4.87 117.98 111.84 2pnc s PHE 710 Ca -0.13 -0.47 0.18 0.00 0.12 0.00 0.00 56.93 56.63 2pnc s PHE 710 Cb 0.01 -2.44 -0.15 0.00 -0.57 0.00 0.00 43.02 39.87 2pnc s PHE 710 CO 0.83 -0.94 0.75 -0.25 -0.10 0.00 0.00 175.22 175.51 2pnc n ASP 711 N -2.20 0.72 -1.83 1.36 8.00 -1.26 -4.83 116.55 116.51 2pnc n ASP 711 Ca 0.12 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.89 2pnc n ASP 711 Cb 0.60 0.40 0.01 0.00 -0.02 0.00 0.00 41.12 42.12 2pnc n ASP 711 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnc n GLN 712 N -2.81 0.52 -1.69 -1.24 0.00 -1.26 -4.95 117.38 105.95 2pnc n GLN 712 Ca -0.10 -1.04 -0.51 0.00 0.00 0.00 0.00 57.00 55.34 2pnc n GLN 712 Cb 0.82 1.29 -0.06 0.00 0.00 0.00 0.00 30.24 32.29 2pnc n GLN 712 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2pnc n GLU 713 N -0.25 1.81 -0.90 2.61 2.13 -1.26 -4.93 120.64 119.85 2pnc n GLU 713 Ca -0.04 0.66 -0.29 0.00 0.66 0.00 0.00 57.16 58.16 2pnc n GLU 713 Cb 0.28 -2.45 0.20 0.00 0.27 0.00 0.00 31.44 29.74 2pnc n GLU 713 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2pnc s PRO 714 N 3.72 -0.05 0.52 5.31 0.02 -1.26 -5.06 135.00 138.20 2pnc s PRO 714 Ca 0.94 0.71 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 2pnc s PRO 714 Cb -0.82 -1.66 0.12 0.00 0.02 0.00 0.00 34.50 32.15 2pnc s PRO 714 CO 0.56 -3.11 0.67 0.43 -0.33 0.00 0.00 177.00 175.22 2pnc n SER 715 N -4.47 -0.18 -3.63 2.53 7.64 -1.26 -5.01 113.62 109.24 2pnc n SER 715 Ca 0.05 -1.19 -0.06 0.00 1.01 0.00 0.00 58.87 58.68 2pnc n SER 715 Cb 0.56 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 2pnc n SER 715 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pnc s MET 716 N -4.46 0.28 0.00 1.43 0.23 -1.26 -4.81 119.30 110.71 2pnc s MET 716 Ca 0.38 0.22 0.16 0.00 -1.03 0.00 0.00 55.69 55.42 2pnc s MET 716 Cb -0.01 0.14 0.13 0.00 -1.53 0.00 0.00 34.83 33.55 2pnc s MET 716 CO 0.27 -0.06 1.02 -0.25 -2.03 0.00 0.00 175.02 173.97