#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppd s PRO 2 N 0.00 2.03 0.36 6.28 0.02 -1.26 -4.96 135.00 137.47 1ppd s PRO 2 Ca 0.00 0.47 0.18 0.00 0.02 0.00 0.00 61.00 61.67 1ppd s PRO 2 Cb 0.00 -1.93 0.61 0.00 0.02 0.00 0.00 34.50 33.21 1ppd s PRO 2 CO 0.00 -1.62 1.70 0.93 -0.33 0.00 0.00 177.00 177.68 1ppd h GLU 3 N -1.09 0.00 -4.07 5.54 5.08 -1.98 -3.43 114.58 114.63 1ppd h GLU 3 Ca -0.47 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.48 1ppd h GLU 3 Cb 1.29 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.20 1ppd h GLU 3 CO 0.61 0.39 -0.77 0.71 -1.00 0.00 0.00 179.01 178.95 1ppd s TYR 4 N -3.54 0.78 -0.01 4.33 2.02 -1.26 -3.72 117.35 115.94 1ppd s TYR 4 Ca 0.00 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1ppd s TYR 4 Cb 0.11 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1ppd s TYR 4 CO 0.69 -0.18 -0.13 0.08 -1.57 0.00 0.00 175.55 174.44 1ppd s VAL 5 N 0.84 1.03 -0.30 0.71 1.01 -0.31 -4.97 120.40 118.41 1ppd s VAL 5 Ca -0.12 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ppd s VAL 5 Cb -0.14 -0.86 0.16 0.00 0.00 0.00 0.00 36.38 35.54 1ppd s VAL 5 CO 0.01 0.29 0.39 -0.62 0.00 0.00 0.00 175.10 175.17 1ppd s ASP 6 N -0.29 0.67 0.57 3.32 3.68 -1.26 -1.36 116.67 121.99 1ppd s ASP 6 Ca 0.05 -0.62 0.30 0.00 2.13 0.00 0.00 52.55 54.40 1ppd s ASP 6 Cb -0.05 0.95 1.71 0.00 -1.45 0.00 0.00 42.92 44.08 1ppd s ASP 6 CO -0.00 -0.34 2.19 -0.50 0.13 0.00 0.00 175.17 176.64 1ppd h TRP 7 N 8.00 0.00 -0.41 -5.34 4.06 -1.23 -0.26 115.95 120.78 1ppd h TRP 7 Ca -0.07 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.91 1ppd h TRP 7 Cb 1.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 1ppd h TRP 7 CO 0.27 0.05 0.27 0.00 -3.56 0.00 0.00 178.44 175.48 1ppd h ARG 8 N 0.00 0.43 0.00 0.49 3.08 -1.92 -2.16 114.38 114.30 1ppd h ARG 8 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1ppd h ARG 8 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ppd h ARG 8 CO 0.01 0.28 -0.34 1.96 -1.07 0.00 0.00 179.97 180.81 1ppd h GLN 9 N 0.44 0.00 -0.44 0.04 4.20 -1.43 -2.81 115.11 115.12 1ppd h GLN 9 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1ppd h GLN 9 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ppd h GLN 9 CO -0.04 0.34 0.00 1.63 -0.67 0.00 0.00 178.83 180.09 1ppd n LYS 10 N -3.30 2.14 -2.74 1.46 5.02 -0.86 -4.95 118.16 114.93 1ppd n LYS 10 Ca 0.01 -1.76 -0.12 0.00 -2.02 0.00 0.00 58.31 54.42 1ppd n LYS 10 Cb 0.58 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.21 1ppd n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ppd n GLY 11 N 1.30 0.10 0.68 0.72 0.00 -1.06 -4.96 105.19 101.98 1ppd n GLY 11 Ca 0.17 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ppd n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppd n ALA 12 N -2.94 2.25 -3.64 4.61 0.00 -0.89 -4.72 120.51 115.18 1ppd n ALA 12 Ca -0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 53.44 52.09 1ppd n ALA 12 Cb 0.55 -0.48 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 1ppd n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ppd s VAL 13 N -1.01 0.90 0.70 0.00 1.01 -1.26 -3.63 120.40 117.12 1ppd s VAL 13 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1ppd s VAL 13 Cb 0.13 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1ppd s VAL 13 CO 0.17 0.32 1.00 0.42 0.00 0.00 0.00 175.10 177.01 1ppd s THR 14 N 1.09 2.29 0.83 3.92 -4.23 -1.26 -4.92 115.64 113.36 1ppd s THR 14 Ca -0.07 -0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1ppd s THR 14 Cb -0.14 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1ppd s THR 14 CO -0.01 0.00 0.91 -2.65 -0.54 0.00 0.00 174.62 172.33 1ppd n PRO 15 N -2.89 0.05 -2.18 3.99 -0.02 -1.26 -4.92 135.00 127.78 1ppd n PRO 15 Ca 0.09 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1ppd n PRO 15 Cb 0.60 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1ppd n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ppd s VAL 16 N -2.18 2.86 0.43 -1.45 1.01 -1.26 -5.04 120.40 114.75 1ppd s VAL 16 Ca 0.68 0.83 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1ppd s VAL 16 Cb -0.28 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1ppd s VAL 16 CO 0.56 0.17 0.21 -0.54 0.00 0.00 0.00 175.10 175.50 1ppd s LYS 17 N -1.88 2.25 -0.19 2.72 -0.14 -1.26 -4.78 119.74 116.46 1ppd s LYS 17 Ca 0.51 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.27 1ppd s LYS 17 Cb -0.37 -2.01 0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1ppd s LYS 17 CO 0.49 -0.17 -0.06 1.21 -0.76 0.00 0.00 175.35 176.05 1ppd s ASN 18 N -3.95 3.27 0.39 2.83 3.84 -1.26 -0.42 114.94 119.63 1ppd s ASN 18 Ca 0.40 -0.87 0.28 0.00 0.21 0.00 0.00 52.86 52.88 1ppd s ASN 18 Cb 0.03 -1.06 1.01 0.00 -0.55 0.00 0.00 41.25 40.68 1ppd s ASN 18 CO 0.22 -0.19 1.81 0.06 -2.79 0.00 0.00 177.10 176.21 1ppd h GLN 19 N 8.04 0.00 0.00 0.43 3.07 -1.18 -3.47 115.11 121.99 1ppd h GLN 19 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1ppd h GLN 19 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1ppd h GLN 19 CO 0.42 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.75 1ppd n GLY 20 N 0.36 2.33 2.66 0.06 0.00 -1.26 -3.80 105.19 105.54 1ppd n GLY 20 Ca 0.02 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1ppd n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ppd n SER 21 N 1.20 7.46 -3.68 1.61 2.88 -1.26 -4.81 113.62 117.02 1ppd n SER 21 Ca 0.00 -3.58 -0.10 0.00 -1.33 0.00 0.00 58.87 53.86 1ppd n SER 21 Cb 0.00 -1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 62.17 1ppd n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppd n GLY 23 N 4.78 4.00 1.08 0.00 0.00 0.14 -4.52 105.19 110.67 1ppd n GLY 23 Ca -0.16 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1ppd n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ppd n SER 24 N 4.99 4.22 -0.34 1.61 3.41 -1.26 -2.47 113.62 123.77 1ppd n SER 24 Ca 0.62 -2.98 0.18 0.00 -0.26 0.00 0.00 58.87 56.43 1ppd n SER 24 Cb 0.29 -0.57 0.40 0.00 -0.26 0.00 0.00 64.21 64.08 1ppd n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppd h TRP 26 N 0.57 0.83 0.09 0.00 5.08 -1.82 0.11 115.95 120.81 1ppd h TRP 26 Ca 0.63 0.02 -0.20 0.00 1.08 0.00 0.00 58.89 60.42 1ppd h TRP 26 Cb 1.25 -0.28 0.02 0.00 -3.00 0.00 0.00 29.16 27.15 1ppd h TRP 26 CO -0.01 0.53 -0.85 0.00 -1.28 0.00 0.00 178.44 176.84 1ppd h ALA 27 N 1.58 -0.02 -0.03 0.11 0.00 -1.35 -2.07 119.26 117.48 1ppd h ALA 27 Ca 0.24 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ppd h ALA 27 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ppd h ALA 27 CO -0.05 0.44 -0.16 0.74 0.00 0.00 0.00 179.25 180.22 1ppd h PHE 28 N -0.13 -0.41 0.05 0.00 -1.00 -0.85 -0.39 116.94 114.20 1ppd h PHE 28 Ca -0.13 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.69 1ppd h PHE 28 Cb 1.60 0.19 -0.05 0.00 3.61 0.00 0.00 35.95 41.30 1ppd h PHE 28 CO 0.16 -0.23 -0.35 1.03 -1.61 0.00 0.00 178.31 177.31 1ppd h SER 29 N -0.25 -1.05 -0.63 2.17 0.87 -0.85 -1.62 113.55 112.19 1ppd h SER 29 Ca 0.06 0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 1ppd h SER 29 Cb 0.33 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 1ppd h SER 29 CO -0.17 -0.42 0.26 0.00 -0.53 0.00 0.00 176.83 175.97 1ppd h ALA 30 N 0.10 0.84 -0.64 6.23 0.00 -1.24 -2.60 119.26 121.94 1ppd h ALA 30 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ppd h ALA 30 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ppd h ALA 30 CO -0.25 -0.15 0.29 0.28 0.00 0.00 0.00 179.25 179.41 1ppd h VAL 31 N 0.46 1.22 -0.39 0.00 2.07 -0.45 -1.76 116.25 117.41 1ppd h VAL 31 Ca 0.32 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1ppd h VAL 31 Cb 0.37 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1ppd h VAL 31 CO -0.29 0.26 0.01 0.58 0.02 0.00 0.00 177.57 178.15 1ppd h VAL 32 N 0.92 0.71 -0.32 2.57 2.07 -0.93 0.72 116.25 122.00 1ppd h VAL 32 Ca 0.22 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 1ppd h VAL 32 Cb 0.13 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ppd h VAL 32 CO -0.03 0.02 -0.08 0.71 0.02 0.00 0.00 177.57 178.21 1ppd h THR 33 N 0.11 1.22 -0.03 2.57 1.35 -1.24 -1.77 112.91 115.13 1ppd h THR 33 Ca 0.19 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1ppd h THR 33 Cb 0.27 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1ppd h THR 33 CO -0.31 0.32 -0.01 0.40 -0.25 0.00 0.00 175.52 175.67 1ppd h ILE 34 N 0.49 1.30 -0.83 6.82 1.08 -0.46 -1.76 117.51 124.16 1ppd h ILE 34 Ca 0.10 -0.92 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1ppd h ILE 34 Cb 0.45 1.87 -0.07 0.00 -3.07 0.00 0.00 36.82 36.01 1ppd h ILE 34 CO 0.02 0.24 0.49 -0.33 -0.69 0.00 0.00 178.15 177.89 1ppd h GLU 35 N -0.32 0.84 0.19 2.37 5.08 -0.79 -2.26 114.58 119.69 1ppd h GLU 35 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1ppd h GLU 35 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ppd h GLU 35 CO 0.00 0.56 -0.09 0.78 -1.00 0.00 0.00 179.01 179.26 1ppd h GLY 36 N 0.87 -0.27 1.04 -3.84 0.00 -1.22 -2.58 103.07 97.06 1ppd h GLY 36 Ca 0.38 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 1ppd h GLY 36 CO -0.21 -0.10 0.36 1.19 0.00 0.00 0.00 176.54 177.78 1ppd h ILE 37 N -0.45 1.26 -0.62 2.60 6.09 -1.21 -1.31 117.51 123.86 1ppd h ILE 37 Ca -0.03 -0.77 -0.04 0.00 -1.37 0.00 0.00 64.86 62.65 1ppd h ILE 37 Cb 0.34 0.26 -0.03 0.00 0.47 0.00 0.00 36.82 37.86 1ppd h ILE 37 CO 0.04 0.32 0.22 0.40 -3.07 0.00 0.00 178.15 176.06 1ppd h ILE 38 N 1.16 1.24 -0.53 2.19 1.08 -1.45 -0.55 117.51 120.65 1ppd h ILE 38 Ca 0.27 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1ppd h ILE 38 Cb 0.16 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1ppd h ILE 38 CO -0.03 0.31 0.35 0.50 -0.69 0.00 0.00 178.15 178.59 1ppd h LYS 39 N 0.88 0.69 -0.48 2.37 3.11 -1.11 0.11 116.57 122.14 1ppd h LYS 39 Ca 0.20 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.94 1ppd h LYS 39 Cb 0.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1ppd h LYS 39 CO -0.01 0.46 0.06 0.82 -2.81 0.00 0.00 179.45 177.97 1ppd h ILE 40 N 0.71 1.25 0.11 2.00 2.04 -0.86 0.35 117.51 123.10 1ppd h ILE 40 Ca 0.20 -0.95 -0.29 0.00 1.00 0.00 0.00 64.86 64.82 1ppd h ILE 40 Cb -0.07 0.94 0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1ppd h ILE 40 CO -0.05 0.33 -1.21 0.03 0.00 0.00 0.00 178.15 177.25 1ppd h ARG 41 N 0.66 0.56 0.00 2.37 2.47 -1.06 -3.40 114.38 115.98 1ppd h ARG 41 Ca 0.14 -0.75 0.00 0.00 -1.26 0.00 0.00 59.98 58.12 1ppd h ARG 41 Cb 0.42 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1ppd h ARG 41 CO 0.01 1.33 -1.21 0.25 0.56 0.00 0.00 179.97 180.91 1ppd n THR 42 N -3.76 0.00 0.00 2.04 -2.24 0.38 -5.00 114.28 105.70 1ppd n THR 42 Ca -0.12 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1ppd n THR 42 Cb 0.97 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1ppd n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppd n GLY 43 N 1.93 1.11 3.63 3.38 0.00 0.12 -5.03 105.19 110.34 1ppd n GLY 43 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ppd n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ppd s ASN 44 N -2.48 5.19 -0.30 1.61 0.02 -1.25 -4.95 114.94 112.78 1ppd s ASN 44 Ca 0.00 0.07 -0.16 0.00 -1.02 0.00 0.00 52.86 51.75 1ppd s ASN 44 Cb 0.00 -1.62 -0.03 0.00 0.02 0.00 0.00 41.25 39.62 1ppd s ASN 44 CO 0.00 0.30 0.40 -0.22 0.02 0.00 0.00 177.10 177.60 1ppd s LEU 45 N -0.40 4.17 0.30 0.60 2.96 -1.26 -2.77 118.68 122.28 1ppd s LEU 45 Ca 0.08 0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.23 1ppd s LEU 45 Cb -0.12 -2.45 -0.06 0.00 0.50 0.00 0.00 46.19 44.06 1ppd s LEU 45 CO 0.02 -0.27 -0.13 0.20 -1.32 0.00 0.00 176.35 174.85 1ppd s ASN 46 N 1.67 3.47 -0.13 3.68 0.01 -1.26 -5.08 114.94 117.30 1ppd s ASN 46 Ca 0.15 -1.12 -0.07 0.00 -0.71 0.00 0.00 52.86 51.11 1ppd s ASN 46 Cb -0.16 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1ppd s ASN 46 CO 0.11 -0.13 0.13 -1.10 -1.51 0.00 0.00 177.10 174.60 1ppd s GLN 47 N -3.59 3.53 0.38 -0.60 -0.21 -1.26 -4.76 119.66 113.15 1ppd s GLN 47 Ca 0.30 -0.16 0.08 0.00 0.02 0.00 0.00 55.36 55.60 1ppd s GLN 47 Cb -0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 1ppd s GLN 47 CO 0.15 0.70 0.03 0.71 -2.12 0.00 0.00 175.29 174.75 1ppd s TYR 48 N -0.79 2.53 -0.50 0.91 1.51 -1.26 -1.11 117.35 118.64 1ppd s TYR 48 Ca 0.14 -0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 55.39 1ppd s TYR 48 Cb -0.12 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1ppd s TYR 48 CO 0.03 0.42 0.93 0.45 -1.11 0.00 0.00 175.55 176.26 1ppd s SER 49 N -3.74 6.43 0.30 2.29 0.15 -0.65 -4.22 113.70 114.26 1ppd s SER 49 Ca 0.36 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.98 1ppd s SER 49 Cb 0.05 -2.44 0.47 0.00 -1.71 0.00 0.00 66.02 62.38 1ppd s SER 49 CO 0.19 -1.11 1.75 -0.33 1.20 0.00 0.00 173.24 174.94 1ppd h GLU 50 N 9.17 0.43 -0.90 5.44 3.07 -1.87 -3.22 114.58 126.70 1ppd h GLU 50 Ca -0.25 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1ppd h GLU 50 Cb 1.08 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.91 1ppd h GLU 50 CO 1.05 0.64 0.59 0.37 -1.40 0.00 0.00 179.01 180.26 1ppd h GLN 51 N 0.38 1.17 -0.50 2.33 5.75 -1.84 -1.95 115.11 120.46 1ppd h GLN 51 Ca 0.06 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 1ppd h GLN 51 Cb 0.63 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1ppd h GLN 51 CO 0.04 0.77 -0.02 1.49 -2.65 0.00 0.00 178.83 178.47 1ppd h GLU 52 N 1.20 0.84 -0.18 1.69 4.81 -1.79 0.05 114.58 121.21 1ppd h GLU 52 Ca 0.33 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ppd h GLU 52 Cb -0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1ppd h GLU 52 CO -0.08 0.86 0.06 -0.07 -0.73 0.00 0.00 179.01 179.05 1ppd h LEU 53 N 0.78 0.26 -0.44 1.64 3.38 -1.55 0.12 115.31 119.50 1ppd h LEU 53 Ca 0.15 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ppd h LEU 53 Cb 0.49 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1ppd h LEU 53 CO 0.02 0.38 -0.05 0.25 0.09 0.00 0.00 178.44 179.14 1ppd h LEU 54 N 0.12 -0.28 -0.16 1.67 5.85 -0.93 0.16 115.31 121.73 1ppd h LEU 54 Ca 0.06 0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.68 1ppd h LEU 54 Cb 0.21 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1ppd h LEU 54 CO -0.00 -0.10 -0.96 0.44 -0.34 0.00 0.00 178.44 177.48 1ppd h ASP 55 N 0.06 0.21 0.00 1.25 3.45 -0.91 -3.40 116.42 117.08 1ppd h ASP 55 Ca 0.22 -0.19 -0.18 0.00 0.43 0.00 0.00 57.03 57.31 1ppd h ASP 55 Cb 0.33 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 1ppd h ASP 55 CO -0.40 1.05 -1.88 0.00 -1.57 0.00 0.00 179.24 176.44 1ppd s ASP 57 N -4.43 6.13 0.00 0.00 2.15 0.54 -4.82 116.67 116.24 1ppd s ASP 57 Ca -0.06 -0.88 0.29 0.00 0.43 0.00 0.00 52.55 52.33 1ppd s ASP 57 Cb 0.06 -2.56 1.30 0.00 -0.30 0.00 0.00 42.92 41.42 1ppd s ASP 57 CO 0.58 -1.83 1.93 0.54 -0.17 0.00 0.00 175.17 176.22 1ppd n ARG 58 N 9.08 0.35 0.29 4.34 5.12 -1.26 -1.90 116.66 132.68 1ppd n ARG 58 Ca 0.23 -0.06 0.18 0.00 -1.93 0.00 0.00 57.85 56.27 1ppd n ARG 58 Cb 0.50 -1.50 0.80 0.00 -1.16 0.00 0.00 32.46 31.10 1ppd n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ppd h ARG 59 N 0.14 0.00 0.00 5.56 3.08 -1.97 -3.45 114.38 117.73 1ppd h ARG 59 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1ppd h ARG 59 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.44 1ppd h ARG 59 CO 0.00 0.02 -0.10 0.43 -1.07 0.00 0.00 179.97 179.25 1ppd n SER 60 N -3.15 2.17 -1.38 7.04 7.64 -0.80 -4.86 113.62 120.30 1ppd n SER 60 Ca -0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 58.87 57.21 1ppd n SER 60 Cb 0.26 -0.36 0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1ppd n SER 60 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ppd n TYR 61 N -2.16 1.51 -0.48 1.43 4.02 0.28 -4.98 117.16 116.77 1ppd n TYR 61 Ca 0.13 -1.90 0.00 0.00 -0.01 0.00 0.00 57.90 56.12 1ppd n TYR 61 Cb 0.59 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1ppd n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ppd n GLY 62 N -0.92 3.05 0.00 2.72 0.00 -1.22 -0.36 105.19 108.46 1ppd n GLY 62 Ca 0.34 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1ppd n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppd n ASN 64 N -0.66 4.05 0.00 0.00 3.02 0.51 -0.69 115.26 121.49 1ppd n ASN 64 Ca 0.07 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1ppd n ASN 64 Cb 0.03 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1ppd n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppd n GLY 65 N 0.55 1.49 0.00 7.41 0.00 -1.03 -4.85 105.19 108.76 1ppd n GLY 65 Ca 0.21 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1ppd n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppd n GLY 66 N 0.04 -1.25 3.04 -0.02 0.00 -1.26 -0.55 105.19 105.19 1ppd n GLY 66 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1ppd n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppd s TYR 67 N -3.00 2.38 0.36 1.61 1.51 -1.26 -4.81 117.35 114.15 1ppd s TYR 67 Ca 0.00 -1.40 0.07 0.00 -1.01 0.00 0.00 57.07 54.73 1ppd s TYR 67 Cb 0.00 -1.69 0.78 0.00 -0.11 0.00 0.00 41.96 40.94 1ppd s TYR 67 CO 0.00 -0.72 1.93 -1.35 -1.11 0.00 0.00 175.55 174.30 1ppd h PRO 68 N 8.01 0.70 -0.02 -1.71 0.11 -1.97 -1.60 132.00 135.52 1ppd h PRO 68 Ca -0.39 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 1ppd h PRO 68 Cb 1.13 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ppd h PRO 68 CO 0.55 0.46 -0.80 0.11 -0.21 0.00 0.00 178.00 178.11 1ppd h TRP 69 N 0.72 0.32 -0.20 0.65 5.08 -1.95 -0.71 115.95 119.86 1ppd h TRP 69 Ca 0.35 -0.16 -0.00 0.00 1.08 0.00 0.00 58.89 60.16 1ppd h TRP 69 Cb 0.43 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 1ppd h TRP 69 CO -0.00 0.93 0.12 1.03 -1.28 0.00 0.00 178.44 179.24 1ppd h SER 70 N 0.14 0.24 -0.41 0.11 0.87 -1.83 -1.05 113.55 111.61 1ppd h SER 70 Ca -0.03 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1ppd h SER 70 Cb 1.40 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1ppd h SER 70 CO 0.12 0.22 0.25 0.00 -0.53 0.00 0.00 176.83 176.90 1ppd h ALA 71 N 1.03 0.52 -0.70 6.23 0.00 -1.18 -1.79 119.26 123.37 1ppd h ALA 71 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ppd h ALA 71 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ppd h ALA 71 CO -0.01 -0.06 0.36 -0.07 0.00 0.00 0.00 179.25 179.47 1ppd h LEU 72 N 0.52 0.88 -0.71 0.00 3.38 -1.06 -2.34 115.31 115.97 1ppd h LEU 72 Ca 0.16 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ppd h LEU 72 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1ppd h LEU 72 CO -0.06 0.73 0.45 1.56 0.09 0.00 0.00 178.44 181.20 1ppd h GLN 73 N 0.99 0.85 -0.69 1.13 1.08 -0.93 -2.10 115.11 115.43 1ppd h GLN 73 Ca 0.25 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1ppd h GLN 73 Cb 0.06 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1ppd h GLN 73 CO -0.04 0.56 0.30 1.25 -0.95 0.00 0.00 178.83 179.96 1ppd h LEU 74 N 0.87 0.93 -0.92 1.46 5.85 -0.81 0.32 115.31 123.01 1ppd h LEU 74 Ca 0.29 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1ppd h LEU 74 Cb 0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1ppd h LEU 74 CO -0.11 0.82 -0.45 0.58 -0.34 0.00 0.00 178.44 178.94 1ppd h VAL 75 N 0.97 1.09 -0.12 1.05 2.07 -1.36 0.63 116.25 120.58 1ppd h VAL 75 Ca 0.23 -1.68 -0.18 0.00 0.82 0.00 0.00 66.70 65.89 1ppd h VAL 75 Cb 0.16 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1ppd h VAL 75 CO -0.02 0.44 -0.63 0.00 0.02 0.00 0.00 177.57 177.37 1ppd h ALA 76 N 1.55 0.23 0.02 1.67 0.00 -0.71 -2.87 119.26 119.15 1ppd h ALA 76 Ca -0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1ppd h ALA 76 Cb 0.94 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ppd h ALA 76 CO 0.06 0.51 -0.79 0.37 0.00 0.00 0.00 179.25 179.39 1ppd h GLN 77 N 0.29 0.51 0.00 0.00 5.75 -0.66 -3.42 115.11 117.57 1ppd h GLN 77 Ca -0.05 -0.57 0.00 0.00 -0.15 0.00 0.00 58.65 57.89 1ppd h GLN 77 Cb 1.27 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.99 1ppd h GLN 77 CO 0.13 1.20 -0.06 0.66 -2.65 0.00 0.00 178.83 178.11 1ppd n TYR 78 N -4.08 0.00 0.00 3.99 4.01 0.19 -5.10 117.16 116.17 1ppd n TYR 78 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ppd n TYR 78 Cb 0.77 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 1ppd n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ppd n GLY 79 N 2.68 0.98 3.22 2.72 0.00 -1.12 -4.89 105.19 108.80 1ppd n GLY 79 Ca -0.01 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1ppd n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ppd s ILE 80 N -2.11 0.08 0.28 -0.61 2.07 0.16 -4.46 121.20 116.60 1ppd s ILE 80 Ca 0.00 -0.62 0.03 0.00 -1.41 0.00 0.00 60.65 58.65 1ppd s ILE 80 Cb 0.00 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1ppd s ILE 80 CO 0.00 -0.34 0.44 -1.00 -1.91 0.00 0.00 174.94 172.13 1ppd s HIS 81 N -1.90 3.47 0.76 3.50 3.76 -1.26 0.32 115.29 123.94 1ppd s HIS 81 Ca -0.10 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.82 1ppd s HIS 81 Cb -0.03 -1.72 0.05 0.00 1.11 0.00 0.00 32.58 31.99 1ppd s HIS 81 CO 0.00 0.30 1.23 0.71 -0.85 0.00 0.00 174.74 176.13 1ppd s TYR 82 N -2.12 1.92 0.21 1.40 2.02 -1.26 -1.64 117.35 117.88 1ppd s TYR 82 Ca 0.37 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.59 1ppd s TYR 82 Cb -0.09 -3.53 0.16 0.00 -0.40 0.00 0.00 41.96 38.10 1ppd s TYR 82 CO 0.32 -2.82 1.82 -0.09 -1.57 0.00 0.00 175.55 173.22 1ppd h ARG 83 N -0.46 1.11 0.00 -0.62 2.43 -1.29 -2.00 114.38 113.56 1ppd h ARG 83 Ca -0.48 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.49 1ppd h ARG 83 Cb 1.30 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1ppd h ARG 83 CO 0.48 0.83 -0.30 -2.95 -1.51 0.00 0.00 179.97 176.53 1ppd h ASN 84 N 1.10 0.00 -0.02 -3.80 -0.00 -1.92 -0.36 115.58 110.58 1ppd h ASN 84 Ca 0.28 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.36 1ppd h ASN 84 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.38 1ppd h ASN 84 CO -0.04 0.30 -0.78 0.74 -0.00 0.00 0.00 177.43 177.65 1ppd h THR 85 N 0.00 1.31 -2.21 6.14 2.02 -1.86 -3.39 112.91 114.91 1ppd h THR 85 Ca -0.00 -2.04 -0.58 0.00 0.77 0.00 0.00 66.41 64.56 1ppd h THR 85 Cb 0.77 2.04 -0.40 0.00 -1.74 0.00 0.00 68.15 68.81 1ppd h THR 85 CO 0.04 0.64 -0.91 0.00 0.37 0.00 0.00 175.52 175.65 1ppd n TYR 86 N -3.90 0.83 -1.42 3.16 -0.00 -0.78 -5.03 117.16 110.01 1ppd n TYR 86 Ca -0.07 -3.73 -0.31 0.00 -0.00 0.00 0.00 57.90 53.80 1ppd n TYR 86 Cb 0.74 -0.31 0.08 0.00 -0.00 0.00 0.00 39.34 39.85 1ppd n TYR 86 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1ppd s PRO 87 N -1.29 2.49 0.09 2.98 0.04 -0.18 -4.38 135.00 134.75 1ppd s PRO 87 Ca 0.35 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1ppd s PRO 87 Cb 0.12 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1ppd s PRO 87 CO -0.11 -1.43 1.11 -0.47 0.04 0.00 0.00 177.00 176.14 1ppd s TYR 88 N -2.99 3.55 -0.02 0.56 5.04 -1.26 -4.69 117.35 117.54 1ppd s TYR 88 Ca 0.60 1.50 0.01 0.00 -2.44 0.00 0.00 57.07 56.74 1ppd s TYR 88 Cb -0.16 -3.30 -0.01 0.00 0.35 0.00 0.00 41.96 38.85 1ppd s TYR 88 CO 0.55 -0.74 0.03 0.39 -1.34 0.00 0.00 175.55 174.44 1ppd n GLU 89 N 3.32 4.92 -1.86 4.97 1.02 -1.26 -5.03 120.64 126.72 1ppd n GLU 89 Ca 0.06 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1ppd n GLU 89 Cb 0.47 -0.67 -0.02 0.00 -0.02 0.00 0.00 31.44 31.21 1ppd n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ppd n GLY 90 N 1.41 0.36 3.48 0.62 0.00 -1.26 -4.99 105.19 104.81 1ppd n GLY 90 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1ppd n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppd s VAL 91 N -2.41 0.00 -0.08 1.61 0.11 -1.26 -4.63 120.40 113.76 1ppd s VAL 91 Ca 0.00 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1ppd s VAL 91 Cb 0.00 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1ppd s VAL 91 CO 0.00 -0.02 0.98 -1.58 -3.33 0.00 0.00 175.10 171.14 1ppd s GLN 92 N -0.09 4.46 0.06 1.54 0.74 -1.26 -4.95 119.66 120.16 1ppd s GLN 92 Ca -0.03 1.36 0.00 0.00 0.05 0.00 0.00 55.36 56.74 1ppd s GLN 92 Cb -0.04 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.56 1ppd s GLN 92 CO 0.03 -0.22 0.01 0.54 -0.55 0.00 0.00 175.29 175.09 1ppd n ARG 93 N 4.64 1.51 -1.37 1.67 1.74 -1.26 -5.06 116.66 118.53 1ppd n ARG 93 Ca 0.07 -0.43 -0.31 0.00 -0.77 0.00 0.00 57.85 56.41 1ppd n ARG 93 Cb 0.49 0.16 0.08 0.00 -1.02 0.00 0.00 32.46 32.17 1ppd n ARG 93 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1ppd s TYR 94 N -1.40 2.72 -0.22 -1.55 1.13 -1.26 -4.60 117.35 112.17 1ppd s TYR 94 Ca 0.01 1.52 -0.29 0.00 -1.41 0.00 0.00 57.07 56.90 1ppd s TYR 94 Cb 0.00 -3.01 -0.01 0.00 -1.10 0.00 0.00 41.96 37.84 1ppd s TYR 94 CO 0.01 -1.64 1.31 0.00 -2.51 0.00 0.00 175.55 172.72 1ppd n ARG 96 N 6.97 2.96 -0.18 0.00 1.74 -1.26 -4.76 116.66 122.13 1ppd n ARG 96 Ca 0.15 -2.94 -0.06 0.00 -0.77 0.00 0.00 57.85 54.23 1ppd n ARG 96 Cb 0.45 -1.90 0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1ppd n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1ppd h SER 97 N 1.89 0.52 -0.08 0.55 0.02 -1.94 -2.17 113.55 112.34 1ppd h SER 97 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1ppd h SER 97 Cb 1.60 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 1ppd h SER 97 CO 0.31 0.37 -0.03 0.03 -1.14 0.00 0.00 176.83 176.38 1ppd h ARG 98 N 0.64 0.15 -0.76 3.45 3.08 -1.86 -2.00 114.38 117.09 1ppd h ARG 98 Ca 0.21 -0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.42 1ppd h ARG 98 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ppd h ARG 98 CO -0.09 0.50 0.63 1.49 -1.07 0.00 0.00 179.97 181.43 1ppd h GLU 99 N -0.20 0.00 -0.68 0.04 4.81 -1.87 -2.56 114.58 114.12 1ppd h GLU 99 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ppd h GLU 99 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1ppd h GLU 99 CO 0.01 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.92 1ppd n LYS 100 N -3.98 2.60 0.00 1.92 5.02 -0.75 -5.07 118.16 117.89 1ppd n LYS 100 Ca 0.15 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1ppd n LYS 100 Cb 0.91 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1ppd n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ppd n GLY 101 N 1.60 -2.80 3.70 0.72 0.00 -0.97 -4.95 105.19 102.48 1ppd n GLY 101 Ca 0.23 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1ppd n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ppd n PRO 102 N -0.27 1.18 -1.75 1.61 -0.04 -1.26 -4.68 135.00 129.79 1ppd n PRO 102 Ca 0.00 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 1ppd n PRO 102 Cb 0.00 -2.44 0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1ppd n PRO 102 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ppd s TYR 103 N -1.40 2.16 -0.08 0.54 1.51 -1.26 -4.92 117.35 113.90 1ppd s TYR 103 Ca 0.78 1.42 0.14 0.00 -1.01 0.00 0.00 57.07 58.40 1ppd s TYR 103 Cb -0.40 -3.77 -0.11 0.00 -0.11 0.00 0.00 41.96 37.57 1ppd s TYR 103 CO 0.44 -2.97 1.03 0.00 -1.11 0.00 0.00 175.55 172.94 1ppd h ALA 104 N 1.00 0.63 -2.65 3.71 0.00 -0.46 -3.48 119.26 118.01 1ppd h ALA 104 Ca -0.51 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 53.49 1ppd h ALA 104 Cb 1.32 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1ppd h ALA 104 CO 0.55 1.02 0.13 0.00 0.00 0.00 0.00 179.25 180.94 1ppd s ALA 105 N -2.84 -1.48 -0.10 0.00 0.00 -0.61 -4.98 121.76 111.75 1ppd s ALA 105 Ca -0.01 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 1ppd s ALA 105 Cb 0.08 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1ppd s ALA 105 CO 0.80 -0.61 0.26 0.21 0.00 0.00 0.00 175.76 176.43 1ppd s LYS 106 N -2.91 0.30 0.53 0.00 2.20 -1.26 0.36 119.74 118.95 1ppd s LYS 106 Ca -0.03 0.39 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1ppd s LYS 106 Cb -0.00 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.48 1ppd s LYS 106 CO -0.05 -0.05 0.60 0.95 -0.36 0.00 0.00 175.35 176.43 1ppd s THR 107 N 0.30 2.15 -0.57 3.43 -4.23 -1.10 -5.02 115.64 110.60 1ppd s THR 107 Ca -0.01 -1.19 0.18 0.00 -1.18 0.00 0.00 61.69 59.49 1ppd s THR 107 Cb -0.03 -2.34 -0.23 0.00 1.34 0.00 0.00 72.50 71.24 1ppd s THR 107 CO -0.01 0.00 0.65 0.47 -0.54 0.00 0.00 174.62 175.19 1ppd n ASP 108 N -1.97 0.80 -3.45 3.99 8.00 0.15 -4.41 116.55 119.66 1ppd n ASP 108 Ca 0.08 -0.61 0.03 0.00 0.71 0.00 0.00 54.79 55.01 1ppd n ASP 108 Cb 0.62 1.30 0.01 0.00 -0.02 0.00 0.00 41.12 43.03 1ppd n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ppd n GLY 109 N 1.43 0.22 2.85 0.44 0.00 -0.90 -4.94 105.19 104.29 1ppd n GLY 109 Ca 0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1ppd n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppd s VAL 110 N -2.02 0.10 0.09 1.61 1.01 -1.26 -1.27 120.40 118.67 1ppd s VAL 110 Ca 0.26 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1ppd s VAL 110 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1ppd s VAL 110 CO -0.01 0.07 -0.23 -0.13 0.00 0.00 0.00 175.10 174.80 1ppd s ARG 111 N 0.46 1.30 -0.11 2.72 0.52 0.27 -4.91 118.95 119.20 1ppd s ARG 111 Ca -0.04 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.80 1ppd s ARG 111 Cb -0.06 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.76 1ppd s ARG 111 CO -0.01 0.38 0.53 -1.14 0.02 0.00 0.00 175.30 175.08 1ppd s GLN 112 N -1.77 4.36 0.28 3.54 0.74 -1.26 -1.37 119.66 124.19 1ppd s GLN 112 Ca 0.09 0.55 -0.29 0.00 0.05 0.00 0.00 55.36 55.76 1ppd s GLN 112 Cb -0.10 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.48 1ppd s GLN 112 CO 0.04 0.14 1.15 0.08 -0.55 0.00 0.00 175.29 176.15 1ppd s VAL 113 N 0.66 3.35 0.06 1.34 1.01 0.15 -4.96 120.40 122.00 1ppd s VAL 113 Ca 0.29 1.34 -0.34 0.00 0.00 0.00 0.00 61.98 63.26 1ppd s VAL 113 Cb -0.16 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1ppd s VAL 113 CO 0.12 0.31 1.70 1.67 0.00 0.00 0.00 175.10 178.90 1ppd n GLN 114 N 1.23 2.18 -2.02 2.72 7.27 -1.26 -4.62 117.38 122.88 1ppd n GLN 114 Ca -0.00 0.79 -0.33 0.00 0.07 0.00 0.00 57.00 57.53 1ppd n GLN 114 Cb 0.44 -2.59 0.01 0.00 2.41 0.00 0.00 30.24 30.51 1ppd n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ppd s PRO 115 N 2.19 3.25 -1.34 3.69 0.04 -1.26 -4.08 135.00 137.50 1ppd s PRO 115 Ca 0.84 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1ppd s PRO 115 Cb -0.68 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1ppd s PRO 115 CO 0.43 -0.87 1.10 0.66 0.04 0.00 0.00 177.00 178.35 1ppd n TYR 116 N -2.04 -2.61 -3.35 0.56 4.01 0.10 -4.96 117.16 108.88 1ppd n TYR 116 Ca 0.09 0.98 -0.12 0.00 -0.16 0.00 0.00 57.90 58.69 1ppd n TYR 116 Cb 0.53 -4.91 -0.08 0.00 -0.31 0.00 0.00 39.34 34.57 1ppd n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ppd s ASN 117 N -3.64 0.72 0.13 7.72 3.84 -1.26 -4.84 114.94 117.60 1ppd s ASN 117 Ca 0.42 -0.28 -0.19 0.00 0.21 0.00 0.00 52.86 53.02 1ppd s ASN 117 Cb -0.19 0.92 -0.04 0.00 -0.55 0.00 0.00 41.25 41.39 1ppd s ASN 117 CO 0.74 -0.34 1.76 -0.61 -2.79 0.00 0.00 177.10 175.86 1ppd h GLN 118 N 8.20 0.19 -0.77 0.43 4.15 -1.91 -2.59 115.11 122.83 1ppd h GLN 118 Ca -0.13 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.33 1ppd h GLN 118 Cb 1.12 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 1ppd h GLN 118 CO 0.29 0.13 0.46 0.78 -1.93 0.00 0.00 178.83 178.56 1ppd h GLY 119 N 0.20 1.13 0.97 2.39 0.00 -1.97 -0.88 103.07 104.91 1ppd h GLY 119 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1ppd h GLY 119 CO -0.08 0.24 0.20 0.00 0.00 0.00 0.00 176.54 176.90 1ppd h ALA 120 N 1.36 0.45 -0.63 3.60 0.00 -1.85 -1.69 119.26 120.51 1ppd h ALA 120 Ca 0.33 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ppd h ALA 120 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ppd h ALA 120 CO -0.16 -0.03 0.18 1.25 0.00 0.00 0.00 179.25 180.49 1ppd h LEU 121 N 0.45 0.93 -0.69 0.00 5.85 -1.01 -2.22 115.31 118.63 1ppd h LEU 121 Ca 0.13 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ppd h LEU 121 Cb 0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1ppd h LEU 121 CO -0.02 0.90 0.32 -0.07 -0.34 0.00 0.00 178.44 179.23 1ppd h LEU 122 N 0.91 0.91 -0.28 2.25 3.38 -0.97 0.06 115.31 121.57 1ppd h LEU 122 Ca 0.20 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ppd h LEU 122 Cb 0.32 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1ppd h LEU 122 CO -0.00 0.80 0.06 0.22 0.09 0.00 0.00 178.44 179.61 1ppd h TYR 123 N 0.96 0.11 -0.24 1.13 3.20 -1.26 0.11 116.97 120.99 1ppd h TYR 123 Ca 0.23 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1ppd h TYR 123 Cb 0.14 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1ppd h TYR 123 CO 0.01 0.03 0.10 0.77 -1.64 0.00 0.00 178.16 177.43 1ppd h SER 124 N 0.17 0.13 -0.60 -2.11 0.02 -0.97 -2.75 113.55 107.45 1ppd h SER 124 Ca 0.13 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1ppd h SER 124 Cb 0.13 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1ppd h SER 124 CO -0.16 0.11 0.32 0.40 -1.14 0.00 0.00 176.83 176.36 1ppd h ILE 125 N 0.22 1.19 0.00 3.27 2.04 -0.47 -0.33 117.51 123.43 1ppd h ILE 125 Ca 0.10 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1ppd h ILE 125 Cb 0.05 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1ppd h ILE 125 CO -0.09 0.22 -0.04 0.00 0.00 0.00 0.00 178.15 178.24 1ppd h ALA 126 N 1.49 1.69 0.03 1.87 0.00 -0.50 -2.80 119.26 121.05 1ppd h ALA 126 Ca 0.22 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1ppd h ALA 126 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ppd h ALA 126 CO -0.03 0.05 -1.67 -0.91 0.00 0.00 0.00 179.25 176.68 1ppd h ASN 127 N 0.00 0.11 -4.38 0.00 4.21 -0.90 -3.50 115.58 111.12 1ppd h ASN 127 Ca -0.00 -0.22 0.35 0.00 1.21 0.00 0.00 56.30 57.63 1ppd h ASN 127 Cb 0.09 -0.04 -0.20 0.00 -1.12 0.00 0.00 38.32 37.05 1ppd h ASN 127 CO 0.01 1.19 0.99 0.00 -1.29 0.00 0.00 177.43 178.33 1ppd s GLN 128 N -2.60 0.02 0.40 0.81 -2.07 -0.74 -5.06 119.66 110.43 1ppd s GLN 128 Ca -0.08 -0.01 -0.27 0.00 -1.82 0.00 0.00 55.36 53.19 1ppd s GLN 128 Cb 0.08 0.01 -0.10 0.00 -1.09 0.00 0.00 33.01 31.91 1ppd s GLN 128 CO 0.82 -0.01 1.40 -2.30 -1.32 0.00 0.00 175.29 173.88 1ppd n PRO 129 N -0.10 2.32 -4.78 9.60 -0.02 -1.26 -3.92 135.00 136.85 1ppd n PRO 129 Ca 0.03 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 1ppd n PRO 129 Cb 0.58 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1ppd n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ppd s VAL 130 N -1.15 1.71 -0.09 -1.45 1.01 -0.75 -4.70 120.40 114.98 1ppd s VAL 130 Ca 0.57 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1ppd s VAL 130 Cb -0.49 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1ppd s VAL 130 CO 0.61 0.30 1.10 -0.55 0.00 0.00 0.00 175.10 176.55 1ppd s SER 131 N -0.99 7.15 0.11 3.32 0.15 0.16 -0.49 113.70 123.11 1ppd s SER 131 Ca 0.08 1.66 0.03 0.00 0.70 0.00 0.00 55.95 58.41 1ppd s SER 131 Cb -0.09 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1ppd s SER 131 CO 0.01 -0.52 -0.08 0.68 1.20 0.00 0.00 173.24 174.53 1ppd s VAL 132 N 2.15 0.82 0.23 4.45 -7.23 -0.69 -0.80 120.40 119.33 1ppd s VAL 132 Ca 0.52 -1.93 0.11 0.00 -1.81 0.00 0.00 61.98 58.87 1ppd s VAL 132 Cb -0.21 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 1ppd s VAL 132 CO 0.19 -0.81 -0.20 0.68 -0.31 0.00 0.00 175.10 174.65 1ppd s VAL 133 N -3.42 2.28 0.24 1.32 -7.23 -1.24 -0.83 120.40 111.52 1ppd s VAL 133 Ca 0.12 -2.21 -0.20 0.00 -1.81 0.00 0.00 61.98 57.89 1ppd s VAL 133 Cb 0.04 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.85 1ppd s VAL 133 CO -0.03 -0.32 0.63 -1.48 -0.31 0.00 0.00 175.10 173.60 1ppd s LEU 134 N -3.11 -0.18 -0.50 1.32 0.05 -0.32 -3.98 118.68 111.95 1ppd s LEU 134 Ca 0.24 -0.51 -0.25 0.00 0.05 0.00 0.00 54.13 53.66 1ppd s LEU 134 Cb -0.06 2.49 0.03 0.00 -2.05 0.00 0.00 46.19 46.60 1ppd s LEU 134 CO 0.11 -1.20 0.92 -1.58 -0.55 0.00 0.00 176.35 174.05 1ppd s GLN 135 N -3.89 3.43 0.00 1.48 0.74 0.39 -1.15 119.66 120.66 1ppd s GLN 135 Ca 0.10 -0.04 0.15 0.00 0.05 0.00 0.00 55.36 55.63 1ppd s GLN 135 Cb -0.04 -3.98 0.08 0.00 1.10 0.00 0.00 33.01 30.17 1ppd s GLN 135 CO 0.02 -1.33 0.93 0.00 -0.55 0.00 0.00 175.29 174.36 1ppd n ALA 136 N 7.27 2.69 0.23 1.58 0.00 -1.26 -4.64 120.51 126.38 1ppd n ALA 136 Ca 0.04 -0.59 0.10 0.00 0.00 0.00 0.00 53.44 52.99 1ppd n ALA 136 Cb 0.48 -0.52 0.54 0.00 0.00 0.00 0.00 19.45 19.95 1ppd n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppd h ALA 137 N 2.89 1.15 -2.78 0.00 0.00 -1.90 -3.39 119.26 115.23 1ppd h ALA 137 Ca 0.00 -0.20 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 1ppd h ALA 137 Cb 0.60 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 18.42 1ppd h ALA 137 CO 0.00 0.27 0.54 0.20 0.00 0.00 0.00 179.25 180.26 1ppd s GLY 138 N -4.26 2.88 0.47 0.00 0.00 -1.26 -4.91 107.32 100.24 1ppd s GLY 138 Ca -0.01 1.05 0.14 0.00 0.00 0.00 0.00 44.72 45.89 1ppd s GLY 138 CO 0.63 1.58 2.07 1.70 0.00 0.00 0.00 173.10 179.08 1ppd h LYS 139 N 2.58 0.10 -0.38 2.90 3.64 -1.93 -2.41 116.57 121.07 1ppd h LYS 139 Ca -0.49 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1ppd h LYS 139 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1ppd h LYS 139 CO 0.62 0.14 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.45 1ppd h ASP 140 N 0.10 0.71 -0.25 4.20 5.19 -1.91 -0.76 116.42 123.70 1ppd h ASP 140 Ca 0.02 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.07 1ppd h ASP 140 Cb 0.12 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1ppd h ASP 140 CO 0.00 0.88 0.06 0.15 -3.12 0.00 0.00 179.24 177.22 1ppd h PHE 141 N 0.52 0.42 -0.16 4.55 3.57 -1.73 -2.97 116.94 121.14 1ppd h PHE 141 Ca 0.10 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ppd h PHE 141 Cb 0.55 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ppd h PHE 141 CO 0.05 0.48 -0.02 1.96 -2.23 0.00 0.00 178.31 178.54 1ppd h GLN 142 N 0.23 0.23 -0.53 1.11 4.20 -1.22 -2.32 115.11 116.81 1ppd h GLN 142 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ppd h GLN 142 Cb 0.27 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ppd h GLN 142 CO 0.00 0.28 0.00 1.28 -0.67 0.00 0.00 178.83 179.72 1ppd n LEU 143 N -4.38 3.24 -4.73 1.46 4.77 -0.31 -4.97 117.00 112.09 1ppd n LEU 143 Ca -0.01 -1.55 -0.42 0.00 -0.03 0.00 0.00 56.01 54.01 1ppd n LEU 143 Cb 0.19 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ppd n LEU 143 CO 0.36 0.77 1.25 -0.47 -1.33 0.00 0.00 177.39 177.98 1ppd s TYR 144 N -1.30 2.95 0.00 -1.77 5.04 -0.87 -4.91 117.35 116.48 1ppd s TYR 144 Ca 0.40 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1ppd s TYR 144 Cb 0.22 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1ppd s TYR 144 CO 0.29 -3.58 0.58 0.54 -1.34 0.00 0.00 175.55 172.04 1ppd n ARG 145 N 3.33 0.73 0.00 4.97 5.12 -1.26 -2.49 116.66 127.05 1ppd n ARG 145 Ca 0.12 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 1ppd n ARG 145 Cb 0.38 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 1ppd n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ppd n GLY 146 N -0.17 3.85 0.00 -0.13 0.00 -1.26 -4.49 105.19 103.00 1ppd n GLY 146 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1ppd n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppd n GLY 147 N -1.96 0.33 3.61 -0.02 0.00 -1.26 -4.85 105.19 101.04 1ppd n GLY 147 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1ppd n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppd s ILE 148 N -1.12 4.53 -0.09 -0.61 1.01 -1.26 -4.09 121.20 119.58 1ppd s ILE 148 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 1ppd s ILE 148 Cb 0.00 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 1ppd s ILE 148 CO 0.00 -0.58 0.99 0.12 0.00 0.00 0.00 174.94 175.47 1ppd s PHE 149 N 3.61 3.54 -0.48 3.97 2.19 0.11 -4.83 117.98 126.07 1ppd s PHE 149 Ca 0.40 1.60 0.06 0.00 0.33 0.00 0.00 56.93 59.32 1ppd s PHE 149 Cb -0.11 -3.17 -0.01 0.00 -1.31 0.00 0.00 43.02 38.42 1ppd s PHE 149 CO 0.20 -0.19 0.44 1.33 1.83 0.00 0.00 175.22 178.83 1ppd n VAL 150 N 4.44 0.00 0.00 3.12 0.24 -1.26 -0.87 118.33 124.00 1ppd n VAL 150 Ca 0.08 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1ppd n VAL 150 Cb 0.49 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 1ppd n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ppd n GLY 151 N 0.78 0.01 3.75 7.63 0.00 -1.26 -4.73 105.19 111.36 1ppd n GLY 151 Ca 0.02 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 1ppd n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ppd s PRO 152 N 0.00 3.09 -0.17 1.61 0.02 -1.26 -4.95 135.00 133.34 1ppd s PRO 152 Ca 0.00 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 1ppd s PRO 152 Cb 0.00 -2.13 0.14 0.00 0.02 0.00 0.00 34.50 32.53 1ppd s PRO 152 CO 0.00 -1.17 1.10 0.00 -0.33 0.00 0.00 177.00 176.61 1ppd n GLY 154 N 0.32 1.46 0.55 0.00 0.00 -1.26 -4.60 105.19 101.65 1ppd n GLY 154 Ca -0.05 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.09 1ppd n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppd n ASN 155 N 0.00 1.76 -4.22 1.61 6.94 -1.26 -3.86 115.26 116.23 1ppd n ASN 155 Ca 0.00 -3.57 -0.43 0.00 -0.02 0.00 0.00 54.58 50.56 1ppd n ASN 155 Cb 0.00 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 1ppd n ASN 155 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ppd n LYS 156 N -1.06 3.17 -1.85 -3.83 5.02 -1.26 -4.78 118.16 113.57 1ppd n LYS 156 Ca 0.17 -3.19 -0.41 0.00 -2.02 0.00 0.00 58.31 52.86 1ppd n LYS 156 Cb 0.71 -3.30 -0.01 0.00 -0.02 0.00 0.00 35.03 32.42 1ppd n LYS 156 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ppd s VAL 157 N 3.05 2.16 0.00 -0.18 -7.23 -1.26 -4.42 120.40 112.51 1ppd s VAL 157 Ca 0.48 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1ppd s VAL 157 Cb 0.07 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1ppd s VAL 157 CO 0.01 0.03 0.05 -0.90 -0.31 0.00 0.00 175.10 173.98 1ppd n ASP 158 N 0.79 0.00 -3.77 4.85 3.85 -0.30 -4.87 116.55 117.10 1ppd n ASP 158 Ca 0.02 -1.00 -0.13 0.00 -0.71 0.00 0.00 54.79 52.97 1ppd n ASP 158 Cb 0.39 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.03 1ppd n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1ppd s HIS 159 N 0.00 -0.17 -0.16 2.11 5.04 -0.54 -4.88 115.29 116.70 1ppd s HIS 159 Ca 0.00 0.47 -0.05 0.00 -1.54 0.00 0.00 55.06 53.93 1ppd s HIS 159 Cb 0.00 -0.03 -0.04 0.00 0.04 0.00 0.00 32.58 32.56 1ppd s HIS 159 CO 0.00 -0.14 0.02 0.00 -2.34 0.00 0.00 174.74 172.28 1ppd s ALA 160 N 0.81 3.27 0.00 1.58 0.00 -1.26 -1.17 121.76 124.98 1ppd s ALA 160 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1ppd s ALA 160 Cb -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1ppd s ALA 160 CO -0.04 0.27 0.00 1.33 0.00 0.00 0.00 175.76 177.32 1ppd n VAL 161 N 3.28 0.00 -3.87 0.00 0.24 -0.01 -4.52 118.33 113.44 1ppd n VAL 161 Ca -0.17 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 1ppd n VAL 161 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 1ppd n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ppd s ALA 162 N -2.00 0.17 -0.20 2.33 0.00 -1.12 -1.70 121.76 119.23 1ppd s ALA 162 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1ppd s ALA 162 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ppd s ALA 162 CO 0.00 -0.06 0.68 0.00 0.00 0.00 0.00 175.76 176.38 1ppd s ALA 163 N 0.76 3.56 -0.03 0.00 0.00 0.35 0.03 121.76 126.44 1ppd s ALA 163 Ca -0.07 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1ppd s ALA 163 Cb -0.10 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.04 1ppd s ALA 163 CO -0.02 -0.63 1.01 1.33 0.00 0.00 0.00 175.76 177.45 1ppd n VAL 164 N 4.80 1.12 -2.55 0.00 0.24 0.20 -1.81 118.33 120.33 1ppd n VAL 164 Ca 0.00 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1ppd n VAL 164 Cb 0.49 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1ppd n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ppd n GLY 165 N -0.66 -1.59 3.68 7.63 0.00 -1.17 -0.58 105.19 112.50 1ppd n GLY 165 Ca 0.03 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1ppd n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ppd s TYR 166 N -2.71 -0.25 0.00 1.61 -0.85 -0.47 -0.50 117.35 114.19 1ppd s TYR 166 Ca 0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1ppd s TYR 166 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1ppd s TYR 166 CO 0.00 -0.87 0.00 0.41 -1.52 0.00 0.00 175.55 173.57 1ppd n GLY 167 N -0.41 4.08 0.29 5.49 0.00 -0.00 -1.16 105.19 113.48 1ppd n GLY 167 Ca -0.08 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.51 1ppd n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ppd h PRO 168 N 0.00 0.44 0.00 1.61 0.11 -1.98 -3.20 132.00 128.98 1ppd h PRO 168 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ppd h PRO 168 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1ppd h PRO 168 CO 0.00 0.33 -0.25 0.27 -0.21 0.00 0.00 178.00 178.15 1ppd n ASN 169 N -4.45 0.76 -3.78 -2.05 6.94 -1.26 -4.89 115.26 106.53 1ppd n ASN 169 Ca 0.02 -2.11 -0.10 0.00 -0.02 0.00 0.00 54.58 52.37 1ppd n ASN 169 Cb 0.10 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.25 1ppd n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1ppd s TYR 170 N -0.81 0.03 -0.12 -2.53 1.13 -1.21 -1.87 117.35 111.97 1ppd s TYR 170 Ca 0.08 -0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1ppd s TYR 170 Cb 0.07 0.09 -0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1ppd s TYR 170 CO 0.01 -0.65 -0.08 0.42 -2.51 0.00 0.00 175.55 172.74 1ppd s ILE 171 N -3.85 3.53 -0.22 -3.49 1.01 0.16 -0.82 121.20 117.51 1ppd s ILE 171 Ca 0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 1ppd s ILE 171 Cb 0.03 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1ppd s ILE 171 CO -0.10 0.53 0.53 -0.22 0.00 0.00 0.00 174.94 175.69 1ppd s LEU 172 N 0.04 4.11 -0.03 2.97 2.96 0.35 -1.23 118.68 127.84 1ppd s LEU 172 Ca -0.02 0.64 0.07 0.00 -0.22 0.00 0.00 54.13 54.60 1ppd s LEU 172 Cb -0.14 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1ppd s LEU 172 CO 0.03 -0.24 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.96 1ppd s ILE 173 N 1.94 1.92 -0.26 6.68 -1.09 0.55 -0.63 121.20 130.31 1ppd s ILE 173 Ca 0.24 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.47 1ppd s ILE 173 Cb -0.15 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1ppd s ILE 173 CO 0.09 0.54 0.40 -0.75 -1.23 0.00 0.00 174.94 173.99 1ppd s LYS 174 N -0.45 4.04 0.52 2.79 2.20 0.10 -1.71 119.74 127.22 1ppd s LYS 174 Ca 0.06 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 1ppd s LYS 174 Cb -0.10 -3.65 0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1ppd s LYS 174 CO 0.00 -0.27 0.72 1.21 -0.36 0.00 0.00 175.35 176.65 1ppd s ASN 175 N 1.58 5.32 -0.27 1.43 2.47 -0.69 -2.79 114.94 121.98 1ppd s ASN 175 Ca 0.16 -0.28 0.08 0.00 0.42 0.00 0.00 52.86 53.25 1ppd s ASN 175 Cb -0.16 -0.60 0.46 0.00 -1.45 0.00 0.00 41.25 39.50 1ppd s ASN 175 CO 0.10 -1.09 1.19 -1.54 -3.72 0.00 0.00 177.10 172.04 1ppd n SER 176 N -2.20 4.27 -0.98 -4.21 3.41 -1.26 -4.49 113.62 108.15 1ppd n SER 176 Ca 0.09 -3.70 0.01 0.00 -0.26 0.00 0.00 58.87 55.02 1ppd n SER 176 Cb 0.60 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.39 1ppd n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ppd n TRP 177 N -0.76 0.96 0.00 7.33 8.01 -1.16 -0.58 117.44 131.24 1ppd n TRP 177 Ca 0.38 -1.29 0.00 0.00 -1.31 0.00 0.00 57.50 55.28 1ppd n TRP 177 Cb 0.92 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 1ppd n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ppd n GLY 178 N -0.92 -1.12 0.09 6.99 0.00 0.44 -4.47 105.19 106.19 1ppd n GLY 178 Ca 0.28 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1ppd n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ppd n THR 179 N -1.22 0.52 0.99 2.61 -2.24 -1.26 -3.37 114.28 110.30 1ppd n THR 179 Ca 0.00 -0.20 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1ppd n THR 179 Cb 0.00 -0.62 0.53 0.00 -2.10 0.00 0.00 70.33 68.14 1ppd n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppd n GLY 180 N 1.23 -1.45 3.87 3.38 0.00 -1.26 -3.05 105.19 107.92 1ppd n GLY 180 Ca 0.06 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ppd n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ppd s TRP 181 N -3.00 3.57 0.00 1.61 -0.00 -1.22 -4.90 118.94 115.00 1ppd s TRP 181 Ca 0.13 0.51 0.00 0.00 -0.00 0.00 0.00 56.10 56.74 1ppd s TRP 181 Cb 0.19 -1.93 0.00 0.00 -0.00 0.00 0.00 33.47 31.72 1ppd s TRP 181 CO 0.57 0.72 0.00 0.41 -0.00 0.00 0.00 176.95 178.65 1ppd n GLY 182 N 1.99 2.43 3.45 5.86 0.00 -1.04 0.15 105.19 118.03 1ppd n GLY 182 Ca -0.20 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 1ppd n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ppd s GLU 183 N 0.00 4.02 -1.50 1.61 2.02 0.61 -4.41 118.70 121.06 1ppd s GLU 183 Ca 0.00 -2.53 -0.06 0.00 0.02 0.00 0.00 54.97 52.40 1ppd s GLU 183 Cb 0.00 -4.98 0.02 0.00 0.10 0.00 0.00 34.13 29.27 1ppd s GLU 183 CO 0.00 -1.71 0.69 0.09 0.02 0.00 0.00 175.26 174.35 1ppd n ASN 184 N 5.45 -5.79 0.00 -0.19 4.13 -1.23 -1.85 115.26 115.78 1ppd n ASN 184 Ca 0.33 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1ppd n ASN 184 Cb 0.43 -4.67 0.00 0.00 -1.54 0.00 0.00 39.78 34.01 1ppd n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ppd n GLY 185 N -1.55 0.28 3.85 7.41 0.00 0.40 -4.66 105.19 110.91 1ppd n GLY 185 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1ppd n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppd s TYR 186 N -2.07 3.05 0.00 1.61 2.02 -0.77 -1.71 117.35 119.48 1ppd s TYR 186 Ca 0.00 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1ppd s TYR 186 Cb 0.00 -1.56 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1ppd s TYR 186 CO 0.00 0.38 -0.04 -1.50 -1.57 0.00 0.00 175.55 172.83 1ppd s ILE 187 N -2.19 0.29 -0.27 2.71 2.07 -0.70 -0.28 121.20 122.83 1ppd s ILE 187 Ca 0.36 -0.23 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1ppd s ILE 187 Cb -0.07 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.25 1ppd s ILE 187 CO 0.26 0.03 0.07 -0.13 -1.91 0.00 0.00 174.94 173.26 1ppd s ARG 188 N -0.22 3.30 -0.17 3.50 0.52 -1.26 -0.33 118.95 124.30 1ppd s ARG 188 Ca 0.00 -0.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1ppd s ARG 188 Cb -0.02 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1ppd s ARG 188 CO -0.00 -0.34 0.03 0.42 0.02 0.00 0.00 175.30 175.43 1ppd s ILE 189 N 1.54 4.51 0.37 1.52 1.01 -0.37 0.04 121.20 129.81 1ppd s ILE 189 Ca 0.04 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 1ppd s ILE 189 Cb -0.16 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 1ppd s ILE 189 CO 0.02 0.48 1.38 1.17 0.00 0.00 0.00 174.94 178.00 1ppd n LYS 190 N 3.43 2.37 -4.62 2.79 3.00 -0.05 0.36 118.16 125.45 1ppd n LYS 190 Ca -0.17 0.83 -0.28 0.00 -0.00 0.00 0.00 58.31 58.69 1ppd n LYS 190 Cb 0.52 -2.50 -0.09 0.00 0.00 0.00 0.00 35.03 32.96 1ppd n LYS 190 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ppd s ARG 191 N -2.02 1.98 -0.70 1.64 1.70 -0.78 -4.59 118.95 116.18 1ppd s ARG 191 Ca 0.55 -2.20 0.00 0.00 -0.47 0.00 0.00 55.73 53.61 1ppd s ARG 191 Cb -0.52 -1.25 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 1ppd s ARG 191 CO 0.63 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.98 1ppd n GLY 192 N -1.01 0.12 0.05 3.88 0.00 -1.26 -4.70 105.19 102.26 1ppd n GLY 192 Ca -0.10 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ppd n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ppd n THR 193 N -3.91 0.28 -0.89 2.61 -2.24 -1.26 -4.94 114.28 103.92 1ppd n THR 193 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1ppd n THR 193 Cb 0.55 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ppd n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppd n GLY 194 N 1.37 1.03 3.64 3.38 0.00 -1.26 -5.01 105.19 108.34 1ppd n GLY 194 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ppd n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ppd s ASN 195 N -3.03 6.76 0.49 1.61 2.47 -1.26 -4.94 114.94 117.04 1ppd s ASN 195 Ca 0.00 1.27 0.29 0.00 0.42 0.00 0.00 52.86 54.84 1ppd s ASN 195 Cb 0.00 -2.54 0.91 0.00 -1.45 0.00 0.00 41.25 38.17 1ppd s ASN 195 CO 0.00 -0.99 1.81 -1.28 -3.72 0.00 0.00 177.10 172.92 1ppd h SER 196 N 8.91 0.00 1.36 -4.21 0.87 -1.95 -1.59 113.55 116.93 1ppd h SER 196 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1ppd h SER 196 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ppd h SER 196 CO 1.02 0.00 0.00 1.88 -0.53 0.00 0.00 176.83 179.20 1ppd h TYR 197 N 0.00 0.00 -0.07 2.24 0.05 -1.92 -3.38 116.97 113.90 1ppd h TYR 197 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1ppd h TYR 197 Cb 0.72 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1ppd h TYR 197 CO 0.00 0.00 -0.02 0.41 -1.05 0.00 0.00 178.16 177.50 1ppd n GLY 198 N 0.44 -2.60 3.71 3.88 0.00 -0.60 -0.36 105.19 109.66 1ppd n GLY 198 Ca 0.02 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1ppd n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppd s VAL 199 N -2.98 2.21 -1.79 1.61 1.01 -1.26 -1.20 120.40 118.00 1ppd s VAL 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1ppd s VAL 199 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1ppd s VAL 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1ppd n GLY 201 N -0.88 0.39 0.33 0.00 0.00 -0.34 -0.46 105.19 104.22 1ppd n GLY 201 Ca -0.17 -0.92 0.21 0.00 0.00 0.00 0.00 46.02 45.14 1ppd n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ppd h LEU 202 N 0.00 0.00 -2.89 0.99 5.85 -1.07 -2.54 115.31 115.65 1ppd h LEU 202 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ppd h LEU 202 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ppd h LEU 202 CO 0.04 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.92 1ppd n TYR 203 N -3.20 1.42 0.02 1.25 0.53 0.52 -4.47 117.16 113.22 1ppd n TYR 203 Ca -0.03 -0.55 -0.13 0.00 -1.02 0.00 0.00 57.90 56.17 1ppd n TYR 203 Cb 0.09 -0.26 -0.09 0.00 -1.03 0.00 0.00 39.34 38.05 1ppd n TYR 203 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 1ppd h THR 204 N 3.68 1.24 -1.28 -0.72 2.02 -1.58 0.30 112.91 116.56 1ppd h THR 204 Ca 0.00 -1.10 -0.13 0.00 0.77 0.00 0.00 66.41 65.95 1ppd h THR 204 Cb 1.40 1.95 -0.23 0.00 -1.74 0.00 0.00 68.15 69.53 1ppd h THR 204 CO 0.24 0.27 -0.50 -0.55 0.37 0.00 0.00 175.52 175.35 1ppd s SER 205 N -5.60 -0.75 -0.11 4.18 0.15 -1.26 -4.70 113.70 105.61 1ppd s SER 205 Ca -0.15 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.76 1ppd s SER 205 Cb 0.01 1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 65.90 1ppd s SER 205 CO 0.63 -0.23 -0.21 -0.44 1.20 0.00 0.00 173.24 174.19 1ppd s SER 206 N 1.99 3.37 0.06 5.45 0.01 -1.26 -3.61 113.70 119.71 1ppd s SER 206 Ca 0.15 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1ppd s SER 206 Cb -0.08 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 1ppd s SER 206 CO -0.12 0.17 -0.09 -0.36 0.41 0.00 0.00 173.24 173.25 1ppd s PHE 207 N 0.30 0.85 0.01 2.43 0.08 0.02 -0.68 117.98 120.98 1ppd s PHE 207 Ca -0.15 -0.53 -0.08 0.00 0.12 0.00 0.00 56.93 56.28 1ppd s PHE 207 Cb -0.17 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 1ppd s PHE 207 CO 0.08 -0.05 0.15 1.52 -0.10 0.00 0.00 175.22 176.82 1ppd s TYR 208 N -1.61 0.04 0.40 0.36 1.13 -0.47 0.39 117.35 117.58 1ppd s TYR 208 Ca -0.05 -0.15 -0.23 0.00 -1.41 0.00 0.00 57.07 55.23 1ppd s TYR 208 Cb -0.08 -0.04 -0.10 0.00 -1.10 0.00 0.00 41.96 40.63 1ppd s TYR 208 CO 0.00 -0.31 0.97 -1.25 -2.51 0.00 0.00 175.55 172.46 1ppd s PRO 209 N -1.57 4.29 -0.15 -3.49 0.04 -1.26 -0.57 135.00 132.30 1ppd s PRO 209 Ca -0.13 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1ppd s PRO 209 Cb -0.07 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1ppd s PRO 209 CO 0.01 0.01 0.01 0.08 0.04 0.00 0.00 177.00 177.15 1ppd s VAL 210 N -1.89 4.34 -0.04 -0.36 1.01 -0.39 -4.88 120.40 118.19 1ppd s VAL 210 Ca 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1ppd s VAL 210 Cb -0.15 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1ppd s VAL 210 CO 0.20 0.51 0.04 -0.75 0.00 0.00 0.00 175.10 175.09 1ppd s LYS 211 N 0.09 0.04 0.00 2.72 2.47 -1.26 0.32 119.74 124.12 1ppd s LYS 211 Ca 0.02 0.26 0.26 0.00 -1.56 0.00 0.00 55.97 54.96 1ppd s LYS 211 Cb -0.13 -0.47 0.70 0.00 -1.46 0.00 0.00 37.83 36.48 1ppd s LYS 211 CO 0.02 -0.25 1.55 0.09 0.16 0.00 0.00 175.35 176.91