#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qts n LYS 43 N 0.00 0.95 -0.07 3.23 4.81 -1.26 -3.46 118.16 122.35 2qts n LYS 43 Ca 0.00 -0.26 -0.05 0.00 -0.87 0.00 0.00 58.31 57.13 2qts n LYS 43 Cb 0.00 -1.49 -0.15 0.00 0.02 0.00 0.00 35.03 33.41 2qts n LYS 43 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2qts n ARG 44 N -0.80 0.87 0.20 1.64 1.74 -1.26 -3.35 116.66 115.70 2qts n ARG 44 Ca 0.19 -0.05 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 2qts n ARG 44 Cb 0.23 -1.48 0.41 0.00 -1.02 0.00 0.00 32.46 30.60 2qts n ARG 44 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2qts h VAL 45 N 0.00 1.16 0.03 1.55 3.04 -1.99 0.22 116.25 120.26 2qts h VAL 45 Ca -0.40 -1.14 -0.25 0.00 -1.01 0.00 0.00 66.70 63.90 2qts h VAL 45 Cb 1.89 1.63 -0.03 0.00 -2.01 0.00 0.00 31.29 32.77 2qts h VAL 45 CO 0.02 0.32 -1.26 0.58 -1.01 0.00 0.00 177.57 176.22 2qts h VAL 46 N 0.00 1.42 -0.43 1.51 2.07 -1.73 -2.83 116.25 116.26 2qts h VAL 46 Ca -0.00 -3.14 -0.15 0.00 0.82 0.00 0.00 66.70 64.23 2qts h VAL 46 Cb 0.60 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2qts h VAL 46 CO 0.04 0.84 -0.31 -0.25 0.02 0.00 0.00 177.57 177.92 2qts h TRP 47 N 0.02 1.13 -0.22 1.57 7.01 -1.37 -3.04 115.95 121.04 2qts h TRP 47 Ca -0.12 -0.31 -0.15 0.00 2.11 0.00 0.00 58.89 60.42 2qts h TRP 47 Cb 1.88 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.69 2qts h TRP 47 CO 0.02 1.14 -0.49 0.00 -2.79 0.00 0.00 178.44 176.31 2qts h ALA 48 N 0.81 0.72 0.00 2.65 0.00 -0.67 -3.03 119.26 119.74 2qts h ALA 48 Ca 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2qts h ALA 48 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qts h ALA 48 CO 0.08 0.67 -0.03 1.37 0.00 0.00 0.00 179.25 181.35 2qts h LEU 49 N 0.48 0.00 -0.74 0.00 8.10 -1.46 -2.02 115.31 119.68 2qts h LEU 49 Ca 0.02 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.91 2qts h LEU 49 Cb 1.03 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.24 2qts h LEU 49 CO 0.10 0.03 -0.13 0.00 -4.11 0.00 0.00 178.44 174.33 2qts h PHE 51 N 0.74 0.00 -0.23 0.00 3.04 -1.48 -2.88 116.94 116.12 2qts h PHE 51 Ca 0.12 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.93 2qts h PHE 51 Cb 0.64 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2qts h PHE 51 CO 0.03 0.55 -0.40 0.52 -2.02 0.00 0.00 178.31 176.99 2qts h MET 52 N 0.00 0.67 -0.82 1.11 2.86 -0.73 -2.40 114.93 115.63 2qts h MET 52 Ca -0.01 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2qts h MET 52 Cb 1.11 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 2qts h MET 52 CO 0.07 1.04 0.50 0.78 1.06 0.00 0.00 176.91 180.37 2qts h GLY 53 N 0.38 1.17 1.15 8.32 0.00 -0.51 0.27 103.07 113.84 2qts h GLY 53 Ca 0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2qts h GLY 53 CO 0.09 0.46 -0.04 0.23 0.00 0.00 0.00 176.54 177.28 2qts h SER 54 N 1.12 1.00 0.18 0.19 0.87 -1.44 -0.31 113.55 115.16 2qts h SER 54 Ca 0.29 -0.29 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 2qts h SER 54 Cb -0.07 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.62 2qts h SER 54 CO -0.06 1.07 -0.62 0.25 -0.53 0.00 0.00 176.83 176.94 2qts h LEU 55 N 0.92 0.49 -0.44 2.23 5.85 -0.86 -2.66 115.31 120.85 2qts h LEU 55 Ca 0.16 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2qts h LEU 55 Cb 0.58 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2qts h LEU 55 CO 0.04 0.99 -0.04 0.00 -0.34 0.00 0.00 178.44 179.09 2qts h ALA 56 N 1.01 0.59 -0.69 1.25 0.00 -0.23 -1.82 119.26 119.37 2qts h ALA 56 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2qts h ALA 56 Cb 1.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2qts h ALA 56 CO 0.11 0.42 0.40 -0.07 0.00 0.00 0.00 179.25 180.11 2qts h LEU 57 N 0.63 0.84 -1.24 0.00 3.38 -1.00 -1.06 115.31 116.86 2qts h LEU 57 Ca 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2qts h LEU 57 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2qts h LEU 57 CO 0.03 0.67 -0.06 0.25 0.09 0.00 0.00 178.44 179.42 2qts h LEU 58 N 0.94 0.42 -0.25 1.67 5.85 -1.34 -2.29 115.31 120.32 2qts h LEU 58 Ca 0.25 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qts h LEU 58 Cb -0.01 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2qts h LEU 58 CO -0.04 0.53 0.01 0.00 -0.34 0.00 0.00 178.44 178.60 2qts h ALA 59 N 1.52 0.33 0.29 1.25 0.00 -0.42 -1.16 119.26 121.08 2qts h ALA 59 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2qts h ALA 59 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qts h ALA 59 CO 0.02 0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.11 2qts h LEU 60 N 0.21 -0.33 0.49 0.00 -0.00 -0.97 -1.19 115.31 113.52 2qts h LEU 60 Ca 0.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 2qts h LEU 60 Cb 0.39 0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2qts h LEU 60 CO 0.01 -0.22 -0.30 0.58 -0.00 0.00 0.00 178.44 178.51 2qts h VAL 61 N -0.41 0.00 -0.49 1.22 2.07 -1.43 -1.24 116.25 115.96 2qts h VAL 61 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2qts h VAL 61 Cb 0.32 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.98 2qts h VAL 61 CO 0.07 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.34 2qts h THR 63 N -0.19 0.62 -0.08 0.00 2.02 -1.19 0.40 112.91 114.49 2qts h THR 63 Ca 0.21 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2qts h THR 63 Cb 0.53 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2qts h THR 63 CO -0.60 0.05 0.04 -1.13 0.37 0.00 0.00 175.52 174.25 2qts h ASN 64 N 0.28 0.07 0.56 4.18 -0.73 0.37 -1.84 115.58 118.46 2qts h ASN 64 Ca 0.34 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.37 2qts h ASN 64 Cb 0.53 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 2qts h ASN 64 CO -0.43 0.05 -0.67 0.03 -0.37 0.00 0.00 177.43 176.04 2qts h ARG 65 N 0.09 0.10 -0.11 6.67 2.47 -0.25 -2.97 114.38 120.38 2qts h ARG 65 Ca 0.03 -0.08 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 2qts h ARG 65 Cb -0.00 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2qts h ARG 65 CO -0.02 0.74 -0.45 0.82 0.56 0.00 0.00 179.97 181.62 2qts h ILE 66 N 0.07 1.33 -0.35 2.04 1.08 -0.12 -2.25 117.51 119.31 2qts h ILE 66 Ca -0.01 -1.63 -0.11 0.00 -0.39 0.00 0.00 64.86 62.72 2qts h ILE 66 Cb 1.20 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 2qts h ILE 66 CO 0.10 0.49 -0.22 1.56 -0.69 0.00 0.00 178.15 179.38 2qts h GLN 67 N 0.22 0.77 -0.63 2.37 4.20 -1.26 -2.79 115.11 117.99 2qts h GLN 67 Ca 0.01 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 2qts h GLN 67 Cb 0.89 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 2qts h GLN 67 CO 0.07 0.98 0.12 -0.92 -0.67 0.00 0.00 178.83 178.42 2qts h TYR 68 N 0.55 1.06 -0.19 2.96 3.20 -1.41 -3.01 116.97 120.13 2qts h TYR 68 Ca 0.07 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.83 2qts h TYR 68 Cb 0.78 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2qts h TYR 68 CO 0.06 0.89 0.06 -0.92 -1.64 0.00 0.00 178.16 176.61 2qts h TYR 69 N 0.96 0.11 0.00 -3.82 3.20 -1.31 -1.88 116.97 114.23 2qts h TYR 69 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qts h TYR 69 Cb 0.38 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2qts h TYR 69 CO 0.03 0.06 0.00 1.19 -1.64 0.00 0.00 178.16 177.79 2qts n PHE 70 N -5.05 0.00 0.67 -3.82 3.72 -1.06 -0.61 117.46 111.31 2qts n PHE 70 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 2qts n PHE 70 Cb 0.07 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 38.86 2qts n PHE 70 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qts n LEU 71 N -0.99 0.64 -3.94 4.37 4.77 -0.71 -4.97 117.00 116.18 2qts n LEU 71 Ca 0.10 0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 55.97 2qts n LEU 71 Cb 0.05 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2qts n LEU 71 CO 0.07 -0.04 -0.17 -1.22 -1.33 0.00 0.00 177.39 174.70 2qts n TYR 72 N -2.01 -1.59 -1.50 -1.77 4.02 0.22 -4.93 117.16 109.59 2qts n TYR 72 Ca 0.04 0.33 -0.32 0.00 -0.01 0.00 0.00 57.90 57.95 2qts n TYR 72 Cb 0.42 -3.14 0.07 0.00 -0.02 0.00 0.00 39.34 36.67 2qts n TYR 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2qts s PRO 73 N -6.81 2.54 0.07 -0.72 0.04 -1.26 -4.59 135.00 124.26 2qts s PRO 73 Ca 0.38 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2qts s PRO 73 Cb -0.18 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2qts s PRO 73 CO 0.93 -1.43 -0.04 -3.38 0.04 0.00 0.00 177.00 173.11 2qts s HIS 74 N -2.66 0.65 0.06 0.56 -3.43 -1.26 -1.87 115.29 107.34 2qts s HIS 74 Ca 0.64 -0.97 0.07 0.00 -0.80 0.00 0.00 55.06 54.00 2qts s HIS 74 Cb -0.18 -0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 30.51 2qts s HIS 74 CO 0.49 -0.28 -0.20 0.14 -2.00 0.00 0.00 174.74 172.89 2qts s VAL 75 N -3.63 1.66 -0.32 -5.38 -7.23 0.12 -4.74 120.40 100.86 2qts s VAL 75 Ca 0.07 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2qts s VAL 75 Cb 0.06 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.57 2qts s VAL 75 CO -0.07 0.13 0.09 -0.89 -0.31 0.00 0.00 175.10 174.04 2qts s THR 76 N -0.90 3.77 -0.16 5.32 2.01 -1.26 0.12 115.64 124.55 2qts s THR 76 Ca 0.07 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2qts s THR 76 Cb -0.09 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2qts s THR 76 CO 0.02 -0.08 0.56 -0.54 -0.69 0.00 0.00 174.62 173.89 2qts s LYS 77 N 1.42 4.27 0.04 4.92 1.02 0.14 -4.87 119.74 126.68 2qts s LYS 77 Ca -0.00 0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.58 2qts s LYS 77 Cb -0.19 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 2qts s LYS 77 CO 0.02 -0.05 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.11 2qts s LEU 78 N 1.29 2.89 -0.27 3.17 2.96 -1.26 -1.45 118.68 126.02 2qts s LEU 78 Ca 0.27 -0.32 -0.23 0.00 -0.22 0.00 0.00 54.13 53.63 2qts s LEU 78 Cb -0.16 -1.69 0.08 0.00 0.50 0.00 0.00 46.19 44.92 2qts s LEU 78 CO 0.11 0.25 0.74 -1.81 -1.32 0.00 0.00 176.35 174.32 2qts s ASP 79 N -1.60 -0.77 -0.20 3.68 1.01 -0.83 -4.99 116.67 112.97 2qts s ASP 79 Ca 0.17 1.41 -0.02 0.00 0.71 0.00 0.00 52.55 54.82 2qts s ASP 79 Cb -0.11 1.40 0.06 0.00 1.01 0.00 0.00 42.92 45.28 2qts s ASP 79 CO 0.08 -0.24 0.01 -0.70 0.21 0.00 0.00 175.17 174.53 2qts s GLU 80 N 0.69 0.94 0.34 8.23 2.12 -1.26 -0.53 118.70 129.23 2qts s GLU 80 Ca -0.02 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.82 2qts s GLU 80 Cb -0.05 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 2qts s GLU 80 CO -0.05 -0.60 0.23 0.14 -0.54 0.00 0.00 175.26 174.44 2qts s VAL 81 N 1.74 0.16 -0.77 3.70 -7.23 0.40 -5.00 120.40 113.40 2qts s VAL 81 Ca -0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 2qts s VAL 81 Cb -0.17 -2.46 0.20 0.00 0.56 0.00 0.00 36.38 34.51 2qts s VAL 81 CO -0.07 0.00 0.70 0.00 -0.31 0.00 0.00 175.10 175.42 2qts s ALA 82 N -3.44 3.98 1.34 1.32 0.00 -1.26 -1.69 121.76 122.01 2qts s ALA 82 Ca 0.36 -3.18 -0.20 0.00 0.00 0.00 0.00 51.96 48.94 2qts s ALA 82 Cb 0.03 -3.43 0.31 0.00 0.00 0.00 0.00 23.12 20.03 2qts s ALA 82 CO 0.23 -2.22 0.84 0.00 0.00 0.00 0.00 175.76 174.61 2qts n ALA 83 N 4.17 -3.94 -2.88 0.00 0.00 -1.26 -4.97 120.51 111.63 2qts n ALA 83 Ca 0.09 -1.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.03 2qts n ALA 83 Cb 0.45 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.67 2qts n ALA 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qts s THR 84 N -2.27 0.30 -1.37 0.00 -4.23 -1.26 -4.82 115.64 101.98 2qts s THR 84 Ca 0.60 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2qts s THR 84 Cb -0.09 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.40 2qts s THR 84 CO 0.48 -0.25 0.13 0.54 -0.54 0.00 0.00 174.62 174.98 2qts n ARG 85 N 2.08 -2.01 -1.73 3.99 5.12 -1.23 -4.93 116.66 117.94 2qts n ARG 85 Ca -0.19 0.79 -0.42 0.00 -1.93 0.00 0.00 57.85 56.09 2qts n ARG 85 Cb 0.56 -5.22 -0.02 0.00 -1.16 0.00 0.00 32.46 26.62 2qts n ARG 85 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2qts n LEU 86 N -2.62 4.23 -4.65 0.55 7.94 -0.77 -4.71 117.00 116.97 2qts n LEU 86 Ca -0.17 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.41 2qts n LEU 86 Cb 0.64 -1.59 -0.02 0.00 0.53 0.00 0.00 43.42 42.98 2qts n LEU 86 CO 0.27 0.19 0.93 -0.89 -1.11 0.00 0.00 177.39 176.77 2qts s THR 87 N 0.55 4.60 0.28 1.96 2.01 -1.26 0.03 115.64 123.81 2qts s THR 87 Ca 0.69 1.86 -0.30 0.00 0.31 0.00 0.00 61.69 64.25 2qts s THR 87 Cb -0.50 -4.36 -0.10 0.00 0.01 0.00 0.00 72.50 67.55 2qts s THR 87 CO 0.41 -0.33 1.47 0.12 -0.69 0.00 0.00 174.62 175.59 2qts s PHE 88 N 3.41 2.92 1.15 4.92 5.36 -0.31 -4.93 117.98 130.51 2qts s PHE 88 Ca 0.44 1.02 -0.19 0.00 -0.96 0.00 0.00 56.93 57.24 2qts s PHE 88 Cb -0.14 -3.88 0.28 0.00 -0.34 0.00 0.00 43.02 38.94 2qts s PHE 88 CO 0.11 -2.82 1.20 -1.25 -1.46 0.00 0.00 175.22 171.00 2qts s PRO 89 N -0.70 -0.87 0.23 10.12 0.04 -1.26 -4.89 135.00 137.66 2qts s PRO 89 Ca 0.59 -0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.20 2qts s PRO 89 Cb -0.43 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 2qts s PRO 89 CO 0.47 -3.44 0.58 0.00 0.04 0.00 0.00 177.00 174.65 2qts s ALA 90 N -3.36 3.53 -0.17 8.56 0.00 0.32 -4.76 121.76 125.87 2qts s ALA 90 Ca 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2qts s ALA 90 Cb -0.06 -2.51 0.05 0.00 0.00 0.00 0.00 23.12 20.60 2qts s ALA 90 CO 0.55 0.47 -0.01 0.08 0.00 0.00 0.00 175.76 176.84 2qts s VAL 91 N -1.76 0.85 -0.09 0.00 1.01 -0.47 -1.65 120.40 118.29 2qts s VAL 91 Ca 0.46 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2qts s VAL 91 Cb -0.12 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2qts s VAL 91 CO 0.20 -0.01 0.03 -0.89 0.00 0.00 0.00 175.10 174.43 2qts s THR 92 N 1.73 4.56 0.02 3.92 2.01 -0.60 -0.03 115.64 127.26 2qts s THR 92 Ca -0.00 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2qts s THR 92 Cb -0.16 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2qts s THR 92 CO -0.07 0.61 0.08 0.72 -0.69 0.00 0.00 174.62 175.27 2qts s PHE 93 N -0.92 0.17 0.03 4.92 -0.12 0.35 -0.94 117.98 121.47 2qts s PHE 93 Ca 0.14 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 2qts s PHE 93 Cb -0.11 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2qts s PHE 93 CO 0.03 -0.31 -0.06 0.00 -0.05 0.00 0.00 175.22 174.83 2qts s ASN 95 N -1.20 7.29 0.56 0.00 3.84 -1.26 -0.86 114.94 123.31 2qts s ASN 95 Ca -0.08 1.90 0.35 0.00 0.21 0.00 0.00 52.86 55.24 2qts s ASN 95 Cb -0.08 -2.59 1.54 0.00 -0.55 0.00 0.00 41.25 39.57 2qts s ASN 95 CO -0.00 -0.10 2.04 -0.07 -2.79 0.00 0.00 177.10 176.18 2qts h LEU 96 N 3.22 0.00 -9.24 3.21 3.38 -1.60 -3.41 115.31 110.87 2qts h LEU 96 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 2qts h LEU 96 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 2qts h LEU 96 CO 0.65 0.00 0.04 0.21 0.09 0.00 0.00 178.44 179.43 2qts s ASN 97 N -5.54 6.77 0.01 -0.43 3.84 -1.26 -4.72 114.94 113.60 2qts s ASN 97 Ca 0.00 0.93 0.09 0.00 0.21 0.00 0.00 52.86 54.09 2qts s ASN 97 Cb 0.10 -2.35 -0.23 0.00 -0.55 0.00 0.00 41.25 38.22 2qts s ASN 97 CO 0.51 -0.15 0.86 -0.33 -2.79 0.00 0.00 177.10 175.20 2qts h GLU 98 N 7.07 0.03 -4.27 0.43 5.08 -1.80 -3.44 114.58 117.69 2qts h GLU 98 Ca -0.37 -0.05 -0.48 0.00 -1.00 0.00 0.00 59.36 57.46 2qts h GLU 98 Cb 1.17 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.09 2qts h GLU 98 CO 0.76 0.73 -0.80 -0.06 -1.00 0.00 0.00 179.01 178.64 2qts s PHE 99 N -2.63 1.22 -0.00 4.33 0.08 -1.26 -3.98 117.98 115.73 2qts s PHE 99 Ca -0.04 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 2qts s PHE 99 Cb 0.08 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2qts s PHE 99 CO 0.82 -0.32 1.38 1.03 -0.10 0.00 0.00 175.22 178.04 2qts s ARG 100 N 1.08 4.29 0.18 0.44 0.52 -0.30 -3.70 118.95 121.47 2qts s ARG 100 Ca -0.07 1.94 -0.16 0.00 -0.52 0.00 0.00 55.73 56.92 2qts s ARG 100 Cb -0.14 -3.56 0.14 0.00 0.52 0.00 0.00 34.95 31.91 2qts s ARG 100 CO -0.01 -0.56 1.65 0.35 0.02 0.00 0.00 175.30 176.75 2qts h PHE 101 N 7.77 -0.29 0.00 -0.53 3.57 -0.96 -0.85 116.94 125.65 2qts h PHE 101 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2qts h PHE 101 Cb 1.18 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2qts h PHE 101 CO 0.75 -0.22 0.00 -1.13 -2.23 0.00 0.00 178.31 175.48 2qts n SER 102 N -5.36 0.14 -0.83 0.41 3.41 -1.26 -2.30 113.62 107.84 2qts n SER 102 Ca 0.04 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 2qts n SER 102 Cb 0.26 -0.58 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 2qts n SER 102 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qts n ARG 103 N -1.68 1.87 -2.99 4.33 5.12 -0.33 -4.91 116.66 118.07 2qts n ARG 103 Ca 0.01 -1.80 -0.42 0.00 -1.93 0.00 0.00 57.85 53.72 2qts n ARG 103 Cb 0.09 -1.38 -0.05 0.00 -1.16 0.00 0.00 32.46 29.95 2qts n ARG 103 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qts s VAL 104 N -1.45 4.84 0.66 1.55 1.01 -0.97 -4.71 120.40 121.33 2qts s VAL 104 Ca 0.26 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 2qts s VAL 104 Cb 0.17 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.53 2qts s VAL 104 CO 0.24 -0.21 0.92 0.42 0.00 0.00 0.00 175.10 176.48 2qts s THR 105 N 2.85 2.36 0.20 3.92 -4.23 -1.26 -4.89 115.64 114.59 2qts s THR 105 Ca 0.30 -0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 2qts s THR 105 Cb -0.14 -2.82 0.12 0.00 1.34 0.00 0.00 72.50 71.00 2qts s THR 105 CO 0.12 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.56 2qts h LYS 106 N -0.35 0.84 -0.22 3.99 3.64 -1.97 0.28 116.57 122.77 2qts h LYS 106 Ca -0.40 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 2qts h LYS 106 Cb 1.29 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2qts h LYS 106 CO 0.48 0.55 -0.20 -0.97 -2.27 0.00 0.00 179.45 177.05 2qts h ASN 107 N 0.86 0.38 -0.09 4.20 -1.24 -1.94 -1.15 115.58 116.61 2qts h ASN 107 Ca 0.25 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2qts h ASN 107 Cb -0.06 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.89 2qts h ASN 107 CO -0.07 0.60 -0.02 0.44 -1.29 0.00 0.00 177.43 177.09 2qts h ASP 108 N 0.35 0.17 -1.01 1.15 3.32 -1.68 -2.57 116.42 116.16 2qts h ASP 108 Ca 0.06 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 56.81 2qts h ASP 108 Cb 0.55 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 2qts h ASP 108 CO 0.04 0.49 0.65 0.25 -1.72 0.00 0.00 179.24 178.95 2qts h LEU 109 N -0.16 1.05 0.15 1.55 5.85 -0.74 0.25 115.31 123.27 2qts h LEU 109 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qts h LEU 109 Cb 0.41 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2qts h LEU 109 CO 0.01 0.68 -0.07 0.22 -0.34 0.00 0.00 178.44 178.93 2qts h TYR 110 N 1.20 -0.19 0.07 1.25 3.20 -1.09 0.64 116.97 122.04 2qts h TYR 110 Ca 0.43 -0.00 -0.28 0.00 3.14 0.00 0.00 58.73 62.02 2qts h TYR 110 Cb 0.14 0.06 0.03 0.00 1.54 0.00 0.00 36.73 38.50 2qts h TYR 110 CO -0.00 -0.08 -1.13 0.45 -1.64 0.00 0.00 178.16 175.75 2qts h HIS 111 N -0.25 1.00 -0.16 -3.82 3.86 -1.13 -3.38 115.15 111.27 2qts h HIS 111 Ca -0.02 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 2qts h HIS 111 Cb 0.20 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2qts h HIS 111 CO -0.05 1.44 0.00 0.00 0.86 0.00 0.00 177.93 180.17 2qts n ALA 112 N -2.67 2.35 -0.18 2.45 0.00 0.85 -4.67 120.51 118.65 2qts n ALA 112 Ca -0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2qts n ALA 112 Cb 0.93 -0.41 0.08 0.00 0.00 0.00 0.00 19.45 20.05 2qts n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qts h GLY 113 N 2.16 0.70 1.03 0.00 0.00 0.24 -1.54 103.07 105.66 2qts h GLY 113 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2qts h GLY 113 CO 0.00 -0.05 -0.06 -2.09 0.00 0.00 0.00 176.54 174.34 2qts h GLU 114 N 0.30 0.91 -0.91 4.80 4.81 -1.78 -0.63 114.58 122.07 2qts h GLU 114 Ca 0.27 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2qts h GLU 114 Cb 0.36 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2qts h GLU 114 CO -0.32 0.97 0.59 1.25 -0.73 0.00 0.00 179.01 180.77 2qts h LEU 115 N 0.77 0.91 -0.99 1.64 5.85 -1.75 -1.02 115.31 120.72 2qts h LEU 115 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2qts h LEU 115 Cb 0.59 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2qts h LEU 115 CO 0.04 0.58 0.00 0.18 -0.34 0.00 0.00 178.44 178.90 2qts n LEU 116 N -4.49 1.46 -1.40 2.25 4.77 -0.62 -4.83 117.00 114.13 2qts n LEU 116 Ca 0.14 -0.67 -0.18 0.00 -0.03 0.00 0.00 56.01 55.27 2qts n LEU 116 Cb 0.20 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2qts n LEU 116 CO 0.33 0.33 -0.17 0.00 -1.33 0.00 0.00 177.39 176.55 2qts n ALA 117 N 0.23 -0.29 0.14 -1.18 0.00 -0.39 -4.79 120.51 114.24 2qts n ALA 117 Ca 0.13 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.96 2qts n ALA 117 Cb 0.26 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2qts n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qts n LEU 118 N -2.05 0.69 -4.14 0.00 4.77 -0.29 -4.53 117.00 111.45 2qts n LEU 118 Ca -0.18 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2qts n LEU 118 Cb 0.59 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 2qts n LEU 118 CO 0.27 -0.14 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.04 2qts s LEU 119 N -5.08 2.41 0.00 2.23 1.43 -1.06 -4.34 118.68 114.27 2qts s LEU 119 Ca -0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2qts s LEU 119 Cb 0.11 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.18 2qts s LEU 119 CO 0.81 -0.34 0.00 -0.46 0.23 0.00 0.00 176.35 176.59 2qts n ASN 120 N 0.55 0.00 0.00 2.29 2.04 0.69 -4.04 115.26 116.80 2qts n ASN 120 Ca -0.16 -0.53 0.09 0.00 -0.44 0.00 0.00 54.58 53.54 2qts n ASN 120 Cb 0.58 0.00 0.44 0.00 -2.53 0.00 0.00 39.78 38.28 2qts n ASN 120 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2qts n ASN 121 N -1.58 0.00 -1.29 0.53 6.94 -1.26 -2.97 115.26 115.64 2qts n ASN 121 Ca 0.00 0.25 -0.02 0.00 -0.02 0.00 0.00 54.58 54.79 2qts n ASN 121 Cb 0.00 -0.39 0.23 0.00 -2.36 0.00 0.00 39.78 37.27 2qts n ASN 121 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2qts n ARG 122 N -1.39 2.53 -3.34 -3.83 1.74 -1.26 -4.94 116.66 106.16 2qts n ARG 122 Ca 0.07 -3.04 -0.24 0.00 -0.77 0.00 0.00 57.85 53.87 2qts n ARG 122 Cb 0.18 -1.92 0.02 0.00 -1.02 0.00 0.00 32.46 29.73 2qts n ARG 122 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qts n TYR 123 N -0.78 -2.05 -4.19 -1.55 4.01 -1.16 -4.97 117.16 106.47 2qts n TYR 123 Ca 0.33 0.62 -0.18 0.00 -0.16 0.00 0.00 57.90 58.50 2qts n TYR 123 Cb 1.10 -3.94 -0.12 0.00 -0.31 0.00 0.00 39.34 36.07 2qts n TYR 123 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2qts s GLU 124 N -6.02 0.88 -0.04 -0.72 2.02 -1.26 -4.91 118.70 108.64 2qts s GLU 124 Ca 0.43 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2qts s GLU 124 Cb -0.21 -0.86 -0.05 0.00 0.10 0.00 0.00 34.13 33.11 2qts s GLU 124 CO 0.52 0.19 1.50 0.42 0.02 0.00 0.00 175.26 177.91 2qts s ILE 125 N -1.49 3.70 0.29 -1.63 1.01 -1.26 -0.22 121.20 121.60 2qts s ILE 125 Ca 0.01 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 2qts s ILE 125 Cb -0.09 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.84 2qts s ILE 125 CO 0.02 -0.05 0.17 -0.81 0.00 0.00 0.00 174.94 174.27 2qts n PRO 126 N 6.31 -2.45 -0.12 2.79 -0.04 -1.26 -4.64 135.00 135.59 2qts n PRO 126 Ca 0.15 -0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.30 2qts n PRO 126 Cb 0.43 -0.38 -0.01 0.00 -0.04 0.00 0.00 33.50 33.50 2qts n PRO 126 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qts n ASP 127 N -3.45 -0.03 -4.20 3.54 5.75 -1.26 -4.76 116.55 112.14 2qts n ASP 127 Ca 0.03 -0.01 -0.36 0.00 -0.01 0.00 0.00 54.79 54.43 2qts n ASP 127 Cb 0.12 -0.06 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 2qts n ASP 127 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qts n THR 128 N 0.54 0.33 -1.64 2.12 -1.04 -1.26 -3.02 114.28 110.31 2qts n THR 128 Ca 0.05 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.05 61.56 2qts n THR 128 Cb 0.01 -0.21 -0.01 0.00 -1.82 0.00 0.00 70.33 68.30 2qts n THR 128 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2qts n GLN 129 N 1.17 -0.44 -0.16 -2.82 -0.06 -1.26 -4.95 117.38 108.85 2qts n GLN 129 Ca 0.04 0.50 -0.08 0.00 -2.00 0.00 0.00 57.00 55.45 2qts n GLN 129 Cb 0.52 -4.29 0.01 0.00 -4.06 0.00 0.00 30.24 22.42 2qts n GLN 129 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2qts h THR 130 N 0.00 1.20 -1.70 1.69 1.35 -1.86 -3.46 112.91 110.13 2qts h THR 130 Ca -0.13 -0.63 0.04 0.00 -0.55 0.00 0.00 66.41 65.14 2qts h THR 130 Cb 0.74 0.74 -0.24 0.00 -1.73 0.00 0.00 68.15 67.66 2qts h THR 130 CO 0.17 0.24 0.40 0.00 -0.25 0.00 0.00 175.52 176.07 2qts s ALA 131 N -5.58 -1.91 0.00 6.62 0.00 -1.26 -4.99 121.76 114.65 2qts s ALA 131 Ca -0.13 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2qts s ALA 131 Cb 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2qts s ALA 131 CO 0.77 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.84 2qts n ASP 132 N 1.76 0.00 0.00 0.00 5.68 -1.26 -4.36 116.55 118.37 2qts n ASP 132 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 2qts n ASP 132 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2qts n ASP 132 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2qts n GLU 133 N 0.00 0.00 -0.06 0.11 2.13 -1.26 -4.71 120.64 116.84 2qts n GLU 133 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2qts n GLU 133 Cb 0.00 -0.42 -0.06 0.00 0.27 0.00 0.00 31.44 31.23 2qts n GLU 133 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2qts h LYS 134 N 0.00 0.66 -0.00 5.31 3.64 -1.99 -0.51 116.57 123.68 2qts h LYS 134 Ca 0.00 -0.42 -0.13 0.00 -1.27 0.00 0.00 60.65 58.83 2qts h LYS 134 Cb 0.00 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2qts h LYS 134 CO 0.00 1.04 -0.62 1.96 -2.27 0.00 0.00 179.45 179.56 2qts h GLN 135 N 0.35 0.01 -0.50 1.90 4.20 -1.90 -2.07 115.11 117.10 2qts h GLN 135 Ca 0.01 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2qts h GLN 135 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2qts h GLN 135 CO 0.09 0.62 -0.18 1.25 -0.67 0.00 0.00 178.83 179.94 2qts h LEU 136 N 0.00 1.03 -0.62 1.46 5.85 -1.73 0.01 115.31 121.31 2qts h LEU 136 Ca -0.01 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2qts h LEU 136 Cb 1.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2qts h LEU 136 CO 0.08 1.18 0.41 -0.08 -0.34 0.00 0.00 178.44 179.69 2qts h GLU 137 N 0.87 0.82 -0.32 1.25 4.81 -0.77 0.10 114.58 121.33 2qts h GLU 137 Ca 0.12 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2qts h GLU 137 Cb 0.76 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2qts h GLU 137 CO 0.06 0.54 -0.36 0.82 -0.73 0.00 0.00 179.01 179.35 2qts h ILE 138 N 0.84 1.28 -0.18 2.32 2.04 -1.18 -2.96 117.51 119.69 2qts h ILE 138 Ca 0.23 -1.52 -0.16 0.00 1.00 0.00 0.00 64.86 64.41 2qts h ILE 138 Cb -0.09 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2qts h ILE 138 CO -0.05 0.49 -0.55 -0.07 0.00 0.00 0.00 178.15 177.97 2qts h LEU 139 N 0.62 0.60 -0.33 1.44 4.07 -0.54 -1.52 115.31 119.64 2qts h LEU 139 Ca 0.06 -0.32 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 2qts h LEU 139 Cb 0.89 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2qts h LEU 139 CO 0.08 1.03 0.10 1.56 -1.08 0.00 0.00 178.44 180.13 2qts h GLN 140 N 0.41 0.51 -0.37 1.13 4.20 -0.77 0.22 115.11 120.44 2qts h GLN 140 Ca 0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2qts h GLN 140 Cb 1.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2qts h GLN 140 CO 0.10 0.54 0.10 0.22 -0.67 0.00 0.00 178.83 179.13 2qts h ASP 141 N 0.38 0.55 0.16 1.46 3.58 -1.50 -2.06 116.42 118.98 2qts h ASP 141 Ca 0.11 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 2qts h ASP 141 Cb 0.24 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2qts h ASP 141 CO -0.00 0.62 -0.13 0.50 -2.88 0.00 0.00 179.24 177.35 2qts h LYS 142 N 0.45 0.00 -0.05 0.28 3.64 -1.07 -1.39 116.57 118.43 2qts h LYS 142 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2qts h LYS 142 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2qts h LYS 142 CO -0.00 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 2qts n ALA 143 N -2.46 2.58 -2.31 5.00 0.00 0.77 -4.59 120.51 119.50 2qts n ALA 143 Ca -0.02 -0.43 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 2qts n ALA 143 Cb 0.20 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2qts n ALA 143 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qts s ASN 144 N -1.89 5.79 -0.19 0.00 2.47 -0.53 -4.81 114.94 115.79 2qts s ASN 144 Ca 0.38 -0.59 0.06 0.00 0.42 0.00 0.00 52.86 53.13 2qts s ASN 144 Cb 0.20 -2.56 0.45 0.00 -1.45 0.00 0.00 41.25 37.89 2qts s ASN 144 CO 0.32 -2.10 1.35 0.49 -3.72 0.00 0.00 177.10 173.44 2qts n PHE 145 N 11.17 1.45 -2.18 0.43 3.72 -1.26 -4.84 117.46 125.94 2qts n PHE 145 Ca 0.24 -0.77 -0.43 0.00 -0.05 0.00 0.00 57.45 56.45 2qts n PHE 145 Cb 0.50 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2qts n PHE 145 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2qts s ARG 146 N -1.99 3.49 -0.03 -1.08 3.52 -1.26 -2.40 118.95 119.20 2qts s ARG 146 Ca 0.32 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.13 2qts s ARG 146 Cb 0.26 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 2qts s ARG 146 CO 0.08 -1.67 0.00 0.09 -0.81 0.00 0.00 175.30 172.99 2qts n ASN 147 N 9.43 -3.26 -4.75 -2.12 5.03 -1.26 -5.02 115.26 113.32 2qts n ASN 147 Ca 0.19 0.01 -0.40 0.00 0.87 0.00 0.00 54.58 55.25 2qts n ASN 147 Cb 0.47 -0.78 -0.05 0.00 -1.02 0.00 0.00 39.78 38.40 2qts n ASN 147 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2qts s PHE 148 N -1.94 3.79 -0.35 3.10 5.36 -1.01 -5.04 117.98 121.89 2qts s PHE 148 Ca 0.00 1.58 -0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2qts s PHE 148 Cb 0.00 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 2qts s PHE 148 CO 0.00 0.31 0.08 0.21 -1.46 0.00 0.00 175.22 174.36 2qts s LYS 149 N -0.27 2.02 -0.18 10.12 2.20 -1.26 -5.07 119.74 127.31 2qts s LYS 149 Ca 0.40 -1.64 -0.42 0.00 -0.36 0.00 0.00 55.97 53.95 2qts s LYS 149 Cb -0.22 -3.33 -0.20 0.00 -1.51 0.00 0.00 37.83 32.58 2qts s LYS 149 CO 0.25 -0.87 1.29 -2.30 -0.36 0.00 0.00 175.35 173.36 2qts n PRO 150 N 4.51 0.12 -3.89 4.03 -0.02 -1.26 -4.99 135.00 133.49 2qts n PRO 150 Ca -0.05 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 2qts n PRO 150 Cb 0.42 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 2qts n PRO 150 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qts s LYS 151 N 1.19 2.96 0.27 -0.52 1.02 -1.26 -5.06 119.74 118.34 2qts s LYS 151 Ca 0.96 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 2qts s LYS 151 Cb -1.32 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 33.23 2qts s LYS 151 CO 0.65 0.25 1.06 -2.30 -0.92 0.00 0.00 175.35 174.09 2qts n PRO 152 N -1.35 1.39 -4.22 -1.68 -0.02 -1.26 -5.00 135.00 122.87 2qts n PRO 152 Ca -0.05 0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 2qts n PRO 152 Cb 0.58 -1.90 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 2qts n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qts s PHE 153 N -0.88 0.99 -0.13 6.00 5.36 -1.26 -5.08 117.98 122.98 2qts s PHE 153 Ca 0.61 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 56.13 2qts s PHE 153 Cb -0.71 -0.58 0.06 0.00 -0.34 0.00 0.00 43.02 41.44 2qts s PHE 153 CO 0.58 0.00 0.30 1.21 -1.46 0.00 0.00 175.22 175.86 2qts s ASN 154 N -1.26 -0.22 0.28 6.13 3.84 -1.26 -5.06 114.94 117.39 2qts s ASN 154 Ca -0.02 0.66 -0.03 0.00 0.21 0.00 0.00 52.86 53.68 2qts s ASN 154 Cb -0.08 0.61 0.41 0.00 -0.55 0.00 0.00 41.25 41.64 2qts s ASN 154 CO 0.01 -0.19 1.94 0.24 -2.79 0.00 0.00 177.10 176.32 2qts h MET 155 N 7.43 1.14 -0.31 0.43 2.86 -1.92 -0.59 114.93 123.96 2qts h MET 155 Ca -0.34 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 2qts h MET 155 Cb 1.15 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2qts h MET 155 CO 0.30 0.76 0.08 1.25 1.06 0.00 0.00 176.91 180.35 2qts h LEU 156 N 1.18 0.47 -0.71 1.22 5.85 -1.94 -1.07 115.31 120.30 2qts h LEU 156 Ca 0.34 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2qts h LEU 156 Cb -0.07 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2qts h LEU 156 CO -0.09 0.57 0.43 -0.08 -0.34 0.00 0.00 178.44 178.93 2qts h GLU 157 N 0.34 0.79 -0.27 1.25 4.22 -1.88 -0.44 114.58 118.60 2qts h GLU 157 Ca 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 2qts h GLU 157 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2qts h GLU 157 CO -0.00 0.52 0.11 0.35 -2.18 0.00 0.00 179.01 177.81 2qts h PHE 158 N 0.81 0.40 -0.60 0.92 3.57 -0.85 -1.01 116.94 120.18 2qts h PHE 158 Ca 0.30 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 2qts h PHE 158 Cb 0.10 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2qts h PHE 158 CO -0.05 0.40 0.21 1.88 -2.23 0.00 0.00 178.31 178.52 2qts h TYR 159 N 0.28 0.96 -0.56 0.41 -1.99 -0.84 0.79 116.97 116.01 2qts h TYR 159 Ca 0.09 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2qts h TYR 159 Cb 0.17 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 2qts h TYR 159 CO -0.01 0.78 0.09 0.22 -0.00 0.00 0.00 178.16 179.24 2qts h ASP 160 N 0.85 0.85 0.02 3.88 3.58 -0.93 0.96 116.42 125.63 2qts h ASP 160 Ca 0.20 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 2qts h ASP 160 Cb 0.26 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2qts h ASP 160 CO -0.01 0.87 -0.01 0.03 -2.88 0.00 0.00 179.24 177.24 2qts h ARG 161 N 0.85 -0.02 0.00 0.28 3.08 -0.99 -3.39 114.38 114.19 2qts h ARG 161 Ca 0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 2qts h ARG 161 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2qts h ARG 161 CO 0.01 0.73 -0.87 0.00 -1.07 0.00 0.00 179.97 178.77 2qts h ALA 162 N 0.01 0.64 -2.64 0.04 0.00 -0.89 -3.48 119.26 112.93 2qts h ALA 162 Ca -0.00 -0.64 -0.56 0.00 0.00 0.00 0.00 54.91 53.71 2qts h ALA 162 Cb 0.77 0.04 0.18 0.00 0.00 0.00 0.00 17.79 18.77 2qts h ALA 162 CO 0.00 0.79 -0.05 0.41 0.00 0.00 0.00 179.25 180.40 2qts n GLY 163 N 1.30 -0.77 3.74 0.00 0.00 0.33 -1.15 105.19 108.65 2qts n GLY 163 Ca -0.02 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2qts n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qts n HIS 164 N -2.32 2.41 -3.24 1.61 8.25 -1.26 -4.80 115.22 115.87 2qts n HIS 164 Ca 0.12 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.63 2qts n HIS 164 Cb 0.49 -2.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 2qts n HIS 164 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qts s ASP 165 N -0.72 6.53 0.53 0.41 -1.08 -1.26 -4.95 116.67 116.13 2qts s ASP 165 Ca 0.67 0.63 0.21 0.00 -0.52 0.00 0.00 52.55 53.54 2qts s ASP 165 Cb -0.44 -2.29 1.36 0.00 -1.46 0.00 0.00 42.92 40.10 2qts s ASP 165 CO 0.53 -0.22 2.09 -0.29 0.52 0.00 0.00 175.17 177.81 2qts h ILE 166 N 5.21 0.85 0.00 4.11 6.09 -1.97 -0.43 117.51 131.37 2qts h ILE 166 Ca -0.32 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.10 2qts h ILE 166 Cb 1.15 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2qts h ILE 166 CO 0.73 0.00 -0.34 -0.09 -3.07 0.00 0.00 178.15 175.38 2qts h ARG 167 N 0.00 0.00 0.05 2.19 2.43 -1.93 -1.10 114.38 116.02 2qts h ARG 167 Ca 0.10 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 2qts h ARG 167 Cb 0.42 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2qts h ARG 167 CO -0.00 0.34 -1.90 0.39 -1.51 0.00 0.00 179.97 177.29 2qts n GLU 168 N -3.74 0.69 0.03 0.20 1.02 -0.27 -4.32 120.64 114.26 2qts n GLU 168 Ca -0.01 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.26 2qts n GLU 168 Cb 0.43 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2qts n GLU 168 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2qts h MET 169 N 0.03 0.51 -6.46 3.49 2.86 -1.24 -3.43 114.93 110.69 2qts h MET 169 Ca -0.37 -0.44 -0.55 0.00 -2.06 0.00 0.00 59.70 56.28 2qts h MET 169 Cb 2.03 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 33.73 2qts h MET 169 CO 0.07 1.07 1.06 -1.17 1.06 0.00 0.00 176.91 179.01 2qts s LEU 170 N -8.04 3.41 -0.05 1.22 2.96 -0.42 -0.65 118.68 117.11 2qts s LEU 170 Ca -0.07 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2qts s LEU 170 Cb 0.10 -3.08 -0.27 0.00 0.50 0.00 0.00 46.19 43.43 2qts s LEU 170 CO 0.86 -1.64 0.66 -0.07 -1.32 0.00 0.00 176.35 174.85 2qts h LEU 171 N 12.72 0.40 -7.11 -0.68 3.38 -1.19 -3.47 115.31 119.35 2qts h LEU 171 Ca -0.26 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 56.97 2qts h LEU 171 Cb 1.08 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 2qts h LEU 171 CO 1.18 1.58 0.10 -0.94 0.09 0.00 0.00 178.44 180.45 2qts s SER 172 N -6.96 -0.54 -0.18 -0.43 1.04 -1.14 -4.97 113.70 100.53 2qts s SER 172 Ca -0.14 0.41 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 2qts s SER 172 Cb 0.07 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.76 2qts s SER 172 CO 0.83 -0.67 0.43 0.00 0.98 0.00 0.00 173.24 174.81 2qts s PHE 174 N 1.61 -0.04 -0.12 0.00 0.08 -0.21 -0.58 117.98 118.71 2qts s PHE 174 Ca -0.08 0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.14 2qts s PHE 174 Cb -0.09 -0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.31 2qts s PHE 174 CO -0.13 -0.07 -0.08 0.12 -0.10 0.00 0.00 175.22 174.95 2qts s PHE 175 N 0.56 1.62 -1.36 0.36 5.36 0.11 -0.95 117.98 123.67 2qts s PHE 175 Ca -0.04 -0.85 -0.10 0.00 -0.96 0.00 0.00 56.93 54.97 2qts s PHE 175 Cb -0.06 -1.30 0.01 0.00 -0.34 0.00 0.00 43.02 41.32 2qts s PHE 175 CO -0.02 -0.55 0.42 0.54 -1.46 0.00 0.00 175.22 174.15 2qts n ARG 176 N 4.91 -1.76 -0.72 10.12 1.74 -0.79 -0.90 116.66 129.26 2qts n ARG 176 Ca -0.13 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2qts n ARG 176 Cb 0.50 -3.84 0.00 0.00 -1.02 0.00 0.00 32.46 28.10 2qts n ARG 176 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qts n GLY 177 N -2.12 0.96 3.58 -0.13 0.00 -1.26 -4.99 105.19 101.23 2qts n GLY 177 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2qts n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qts s GLU 178 N -0.23 3.61 0.05 1.61 0.41 -0.07 -5.08 118.70 119.01 2qts s GLU 178 Ca 0.00 -0.44 -0.31 0.00 -0.41 0.00 0.00 54.97 53.81 2qts s GLU 178 Cb 0.00 -2.98 -0.06 0.00 -1.78 0.00 0.00 34.13 29.31 2qts s GLU 178 CO 0.00 0.36 1.34 -1.14 -0.49 0.00 0.00 175.26 175.33 2qts s GLN 179 N 0.08 4.33 0.36 1.61 0.74 -1.26 -0.72 119.66 124.80 2qts s GLN 179 Ca 0.02 1.95 0.08 0.00 0.05 0.00 0.00 55.36 57.46 2qts s GLN 179 Cb -0.13 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 2qts s GLN 179 CO 0.02 -0.45 0.29 0.00 -0.55 0.00 0.00 175.29 174.60 2qts s SER 181 N -4.00 1.96 0.55 0.00 1.04 -1.26 -4.34 113.70 107.64 2qts s SER 181 Ca 0.42 -1.72 0.25 0.00 0.48 0.00 0.00 55.95 55.39 2qts s SER 181 Cb -0.04 0.54 1.44 0.00 0.10 0.00 0.00 66.02 68.05 2qts s SER 181 CO 0.26 -1.01 2.03 -0.65 0.98 0.00 0.00 173.24 174.85 2qts h PRO 182 N 2.05 0.00 0.00 4.02 0.11 -1.95 0.45 132.00 136.68 2qts h PRO 182 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2qts h PRO 182 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qts h PRO 182 CO 0.44 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.12 2qts h GLU 183 N 0.00 0.00 -0.00 1.05 4.39 -1.98 -1.37 114.58 116.66 2qts h GLU 183 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2qts h GLU 183 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2qts h GLU 183 CO -0.00 0.03 -0.00 -0.25 -1.16 0.00 0.00 179.01 177.63 2qts n ASP 184 N -3.48 0.12 -4.52 1.42 8.00 0.15 -4.77 116.55 113.46 2qts n ASP 184 Ca -0.02 -0.99 -0.34 0.00 0.71 0.00 0.00 54.79 54.15 2qts n ASP 184 Cb 0.14 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 2qts n ASP 184 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qts s PHE 185 N -2.04 3.02 -0.17 1.24 0.08 -0.52 -4.02 117.98 115.57 2qts s PHE 185 Ca 0.46 -0.22 -0.09 0.00 0.12 0.00 0.00 56.93 57.20 2qts s PHE 185 Cb 0.22 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2qts s PHE 185 CO 0.37 0.06 0.13 0.21 -0.10 0.00 0.00 175.22 175.90 2qts s LYS 186 N 0.07 3.91 0.18 0.44 2.20 -0.11 -4.84 119.74 121.59 2qts s LYS 186 Ca -0.00 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 2qts s LYS 186 Cb -0.13 -3.33 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 2qts s LYS 186 CO 0.03 0.48 1.26 0.08 -0.36 0.00 0.00 175.35 176.84 2qts s VAL 187 N -0.15 3.41 -0.06 4.02 1.01 -1.26 -0.69 120.40 126.68 2qts s VAL 187 Ca 0.11 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 2qts s VAL 187 Cb -0.11 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2qts s VAL 187 CO 0.00 0.17 0.12 0.54 0.00 0.00 0.00 175.10 175.93 2qts s VAL 188 N 0.17 -0.11 -0.02 2.92 0.11 -0.42 -4.92 120.40 118.13 2qts s VAL 188 Ca 0.56 0.26 -0.23 0.00 -2.93 0.00 0.00 61.98 59.63 2qts s VAL 188 Cb -0.35 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 2qts s VAL 188 CO 0.37 0.11 0.70 -0.36 -3.33 0.00 0.00 175.10 172.58 2qts s PHE 189 N 1.53 3.65 0.15 1.54 0.08 -1.26 -1.51 117.98 122.17 2qts s PHE 189 Ca -0.05 1.32 0.02 0.00 0.12 0.00 0.00 56.93 58.34 2qts s PHE 189 Cb -0.12 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 2qts s PHE 189 CO -0.05 0.20 0.06 0.25 -0.10 0.00 0.00 175.22 175.58 2qts n THR 190 N 3.23 0.00 0.30 0.64 -2.24 -0.33 -4.67 114.28 111.22 2qts n THR 190 Ca -0.03 -0.91 0.18 0.00 -2.27 0.00 0.00 64.05 61.03 2qts n THR 190 Cb 0.51 0.34 0.80 0.00 -2.10 0.00 0.00 70.33 69.88 2qts n THR 190 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qts h ARG 191 N 0.00 0.00 0.00 -0.78 2.43 -1.96 0.03 114.38 114.09 2qts h ARG 191 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2qts h ARG 191 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2qts h ARG 191 CO 0.18 0.00 -0.01 0.66 -1.51 0.00 0.00 179.97 179.30 2qts n TYR 192 N -2.98 0.06 0.00 2.20 4.01 -1.26 -5.01 117.16 114.18 2qts n TYR 192 Ca -0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2qts n TYR 192 Cb 0.23 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 2qts n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qts n GLY 193 N 1.49 0.67 3.56 2.72 0.00 -0.01 -4.53 105.19 109.08 2qts n GLY 193 Ca 0.07 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2qts n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qts s LYS 194 N 0.00 3.44 0.54 1.61 2.20 -1.26 -1.18 119.74 125.08 2qts s LYS 194 Ca 0.00 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 2qts s LYS 194 Cb 0.00 -4.04 0.02 0.00 -1.51 0.00 0.00 37.83 32.30 2qts s LYS 194 CO 0.00 -1.64 0.14 0.00 -0.36 0.00 0.00 175.35 173.48 2qts s TYR 196 N -2.87 0.47 -0.13 0.00 2.02 -0.62 -1.31 117.35 114.92 2qts s TYR 196 Ca 0.10 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 2qts s TYR 196 Cb -0.01 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.27 2qts s TYR 196 CO 0.07 -0.04 -0.19 0.99 -1.57 0.00 0.00 175.55 174.81 2qts s THR 197 N -0.54 1.79 0.02 -0.71 2.01 0.13 -0.49 115.64 117.85 2qts s THR 197 Ca -0.03 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 2qts s THR 197 Cb -0.05 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 2qts s THR 197 CO -0.00 0.50 0.48 0.12 -0.69 0.00 0.00 174.62 175.02 2qts s PHE 198 N 0.93 3.75 -1.30 4.92 5.36 0.96 -0.93 117.98 131.67 2qts s PHE 198 Ca -0.06 1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.98 2qts s PHE 198 Cb -0.15 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 2qts s PHE 198 CO -0.02 0.59 0.92 -1.71 -1.46 0.00 0.00 175.22 173.54 2qts n ASN 199 N 1.89 -2.74 0.25 6.13 5.15 -1.26 -1.37 115.26 123.31 2qts n ASN 199 Ca -0.12 -0.70 0.10 0.00 -0.60 0.00 0.00 54.58 53.26 2qts n ASN 199 Cb 0.52 -4.59 0.64 0.00 -0.53 0.00 0.00 39.78 35.82 2qts n ASN 199 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qts h ALA 200 N 0.92 1.45 -4.49 5.20 0.00 -1.87 -3.36 119.26 117.10 2qts h ALA 200 Ca -0.59 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 2qts h ALA 200 Cb 1.36 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.17 2qts h ALA 200 CO 0.55 0.18 -0.20 0.41 0.00 0.00 0.00 179.25 180.20 2qts n GLY 201 N -0.83 -0.70 0.00 0.00 0.00 -1.26 -4.79 105.19 97.61 2qts n GLY 201 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qts n GLY 201 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qts n GLN 202 N -1.88 0.05 0.00 1.61 1.13 -1.26 -4.87 117.38 112.16 2qts n GLN 202 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2qts n GLN 202 Cb 0.53 -0.16 0.02 0.00 0.11 0.00 0.00 30.24 30.74 2qts n GLN 202 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qts n ASP 203 N -0.49 0.00 -2.20 1.08 2.03 -1.26 -4.72 116.55 110.99 2qts n ASP 203 Ca 0.00 -0.21 -0.20 0.00 0.52 0.00 0.00 54.79 54.90 2qts n ASP 203 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2qts n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qts n GLY 204 N -0.45 -0.27 3.97 0.27 0.00 -1.26 -4.99 105.19 102.46 2qts n GLY 204 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2qts n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qts s LYS 205 N -4.89 1.87 0.56 1.61 1.02 -1.26 -5.04 119.74 113.61 2qts s LYS 205 Ca 0.00 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 54.98 2qts s LYS 205 Cb 0.00 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 2qts s LYS 205 CO 0.00 -1.34 1.33 -1.25 -0.92 0.00 0.00 175.35 173.17 2qts s PRO 206 N -5.15 3.07 -0.34 -1.68 0.04 -1.26 -4.93 135.00 124.75 2qts s PRO 206 Ca 0.64 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.56 2qts s PRO 206 Cb -0.07 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2qts s PRO 206 CO 0.44 -1.22 1.29 0.50 0.04 0.00 0.00 177.00 178.05 2qts s ARG 207 N -2.99 3.84 -0.03 4.56 3.52 -1.26 -4.99 118.95 121.61 2qts s ARG 207 Ca 0.73 1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.14 2qts s ARG 207 Cb -0.39 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 2qts s ARG 207 CO 0.45 -1.22 1.38 -0.51 -0.81 0.00 0.00 175.30 174.60 2qts s LEU 208 N 4.53 4.30 0.13 -0.88 1.43 -1.26 -5.00 118.68 121.92 2qts s LEU 208 Ca 0.55 2.04 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 2qts s LEU 208 Cb -0.15 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2qts s LEU 208 CO 0.25 -0.72 -0.15 0.27 0.23 0.00 0.00 176.35 176.23 2qts s ILE 209 N 2.59 1.45 -0.01 -0.59 -5.25 -1.26 -1.17 121.20 116.95 2qts s ILE 209 Ca 0.63 -1.72 0.07 0.00 -0.99 0.00 0.00 60.65 58.63 2qts s ILE 209 Cb -0.30 -1.57 -0.02 0.00 2.95 0.00 0.00 42.46 43.51 2qts s ILE 209 CO 0.25 -0.36 -0.21 0.42 -1.79 0.00 0.00 174.94 173.25 2qts s THR 210 N -2.01 2.49 -0.06 8.37 -4.23 0.11 -4.86 115.64 115.45 2qts s THR 210 Ca 0.10 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2qts s THR 210 Cb -0.06 -1.94 -0.07 0.00 1.34 0.00 0.00 72.50 71.78 2qts s THR 210 CO 0.04 0.53 0.01 0.23 -0.54 0.00 0.00 174.62 174.89 2qts n MET 211 N 2.20 2.81 -4.36 3.99 2.81 -1.26 -1.84 117.12 121.47 2qts n MET 211 Ca -0.16 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.54 2qts n MET 211 Cb 0.52 -1.14 -0.10 0.00 -0.71 0.00 0.00 33.22 31.78 2qts n MET 211 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2qts s LYS 212 N -2.13 1.37 0.41 0.03 1.02 -1.26 -4.81 119.74 114.38 2qts s LYS 212 Ca -0.03 -1.64 -0.23 0.00 0.02 0.00 0.00 55.97 54.09 2qts s LYS 212 Cb 0.02 -1.08 -0.10 0.00 -0.52 0.00 0.00 37.83 36.15 2qts s LYS 212 CO 0.22 0.13 0.99 0.20 -0.92 0.00 0.00 175.35 175.97 2qts s GLY 213 N -3.34 2.58 0.00 -3.33 0.00 -1.26 -4.62 107.32 97.35 2qts s GLY 213 Ca 0.24 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2qts s GLY 213 CO 0.08 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.68 2qts n GLY 214 N -0.08 2.89 0.39 0.20 0.00 -0.19 -4.79 105.19 103.61 2qts n GLY 214 Ca 0.06 -1.99 0.17 0.00 0.00 0.00 0.00 46.02 44.26 2qts n GLY 214 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qts h THR 215 N 0.00 0.74 -0.54 2.61 1.35 -1.93 -2.26 112.91 112.87 2qts h THR 215 Ca 0.00 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2qts h THR 215 Cb 0.00 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 66.71 2qts h THR 215 CO 0.00 0.07 0.36 1.23 -0.25 0.00 0.00 175.52 176.93 2qts h GLY 216 N 0.39 0.74 -1.83 5.82 0.00 -1.95 -1.55 103.07 104.69 2qts h GLY 216 Ca 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2qts h GLY 216 CO -0.13 0.25 0.00 0.70 0.00 0.00 0.00 176.54 177.36 2qts n ASN 217 N -4.46 2.71 0.00 0.19 5.03 -0.85 -3.91 115.26 113.96 2qts n ASN 217 Ca 0.06 -2.20 0.00 0.00 0.87 0.00 0.00 54.58 53.31 2qts n ASN 217 Cb 0.09 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 2qts n ASN 217 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qts n GLY 218 N 0.82 7.25 3.70 7.41 0.00 -0.58 -4.70 105.19 119.08 2qts n GLY 218 Ca 0.14 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 2qts n GLY 218 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qts s LEU 219 N 0.00 3.61 -0.04 0.99 2.96 0.28 -1.88 118.68 124.59 2qts s LEU 219 Ca 0.00 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2qts s LEU 219 Cb 0.00 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.79 2qts s LEU 219 CO 0.00 0.34 0.03 -0.70 -1.32 0.00 0.00 176.35 174.70 2qts s GLU 220 N -1.19 0.16 0.07 1.98 2.12 -0.13 -1.03 118.70 120.68 2qts s GLU 220 Ca 0.16 0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.79 2qts s GLU 220 Cb -0.11 -0.59 -0.03 0.00 0.26 0.00 0.00 34.13 33.66 2qts s GLU 220 CO 0.06 -0.27 -0.16 0.96 -0.54 0.00 0.00 175.26 175.31 2qts s ILE 221 N 1.80 1.27 -0.15 -3.70 -4.36 -0.49 -1.05 121.20 114.52 2qts s ILE 221 Ca 0.01 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 2qts s ILE 221 Cb -0.12 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.42 2qts s ILE 221 CO -0.03 -0.10 -0.18 -0.32 0.24 0.00 0.00 174.94 174.54 2qts s MET 222 N -1.57 3.13 0.17 0.37 -2.45 -0.13 -0.86 119.30 117.97 2qts s MET 222 Ca 0.01 -0.80 0.10 0.00 -1.25 0.00 0.00 55.69 53.76 2qts s MET 222 Cb -0.09 -2.53 -0.04 0.00 1.25 0.00 0.00 34.83 33.42 2qts s MET 222 CO 0.02 0.02 -0.22 -0.51 1.05 0.00 0.00 175.02 175.38 2qts s LEU 223 N 0.78 2.41 -0.24 4.11 1.43 -0.25 -0.72 118.68 126.20 2qts s LEU 223 Ca -0.07 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 2qts s LEU 223 Cb -0.16 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2qts s LEU 223 CO -0.00 0.07 -0.07 -0.62 0.23 0.00 0.00 176.35 175.96 2qts s ASP 224 N -2.55 4.22 0.00 2.29 -1.08 0.18 -1.72 116.67 118.01 2qts s ASP 224 Ca 0.17 -0.77 0.28 0.00 -0.52 0.00 0.00 52.55 51.71 2qts s ASP 224 Cb -0.08 -1.66 1.29 0.00 -1.46 0.00 0.00 42.92 41.01 2qts s ASP 224 CO 0.08 -0.10 1.94 2.30 0.52 0.00 0.00 175.17 179.91 2qts n ILE 225 N 4.69 0.06 -3.40 4.11 -5.35 -0.54 -4.44 119.36 114.49 2qts n ILE 225 Ca -0.17 0.02 -0.19 0.00 -0.27 0.00 0.00 62.75 62.13 2qts n ILE 225 Cb 0.48 -0.53 0.05 0.00 -1.74 0.00 0.00 39.64 37.89 2qts n ILE 225 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qts n GLN 226 N -1.42 -1.73 0.31 6.28 6.02 -1.26 -4.88 117.38 120.69 2qts n GLN 226 Ca 0.09 0.80 0.20 0.00 -0.01 0.00 0.00 57.00 58.08 2qts n GLN 226 Cb 0.29 -5.08 0.97 0.00 1.02 0.00 0.00 30.24 27.44 2qts n GLN 226 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2qts h GLN 227 N -1.15 0.00 0.00 -1.09 4.20 -1.93 -1.10 115.11 114.05 2qts h GLN 227 Ca -0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2qts h GLN 227 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2qts h GLN 227 CO 0.43 0.01 0.00 0.38 -0.67 0.00 0.00 178.83 178.98 2qts h ASP 228 N 0.00 0.00 -0.03 1.46 2.03 -2.00 -1.89 116.42 116.00 2qts h ASP 228 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2qts h ASP 228 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2qts h ASP 228 CO 0.00 0.00 -0.05 -0.62 -1.03 0.00 0.00 179.24 177.54 2qts n GLU 229 N -2.86 1.97 -1.88 4.15 -0.58 -0.42 -4.90 120.64 116.12 2qts n GLU 229 Ca -0.01 -1.71 -0.41 0.00 -0.42 0.00 0.00 57.16 54.61 2qts n GLU 229 Cb 0.18 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 2qts n GLU 229 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2qts s TYR 230 N -1.88 2.72 0.12 -0.32 1.51 -0.71 -0.39 117.35 118.40 2qts s TYR 230 Ca 0.25 1.18 -0.30 0.00 -1.01 0.00 0.00 57.07 57.18 2qts s TYR 230 Cb 0.18 -3.95 -0.07 0.00 -0.11 0.00 0.00 41.96 38.01 2qts s TYR 230 CO 0.30 -2.80 1.23 -1.17 -1.11 0.00 0.00 175.55 172.00 2qts s LEU 231 N -1.80 4.40 0.35 -1.29 2.96 -1.24 -4.57 118.68 117.48 2qts s LEU 231 Ca 0.53 2.15 -0.27 0.00 -0.22 0.00 0.00 54.13 56.32 2qts s LEU 231 Cb -0.45 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.53 2qts s LEU 231 CO 0.59 -0.46 1.14 -2.65 -1.32 0.00 0.00 176.35 173.65 2qts n PRO 232 N 3.36 1.71 -3.78 0.98 -0.02 -1.26 -4.95 135.00 131.04 2qts n PRO 232 Ca 0.07 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 2qts n PRO 232 Cb 0.45 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 2qts n PRO 232 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qts s VAL 233 N -1.13 3.61 -0.63 -1.45 1.01 -1.26 -4.92 120.40 115.63 2qts s VAL 233 Ca 0.58 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2qts s VAL 233 Cb -0.60 -3.06 0.15 0.00 0.00 0.00 0.00 36.38 32.87 2qts s VAL 233 CO 0.60 -0.17 1.03 0.79 0.00 0.00 0.00 175.10 177.35 2qts n TRP 234 N 4.77 0.20 -3.57 5.22 8.01 -1.26 -5.02 117.44 125.79 2qts n TRP 234 Ca -0.12 -0.36 -0.02 0.00 -1.31 0.00 0.00 57.50 55.69 2qts n TRP 234 Cb 0.44 -0.03 0.01 0.00 -2.01 0.00 0.00 31.31 29.73 2qts n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qts n GLY 235 N 0.18 1.11 3.10 6.99 0.00 -1.26 -5.02 105.19 110.28 2qts n GLY 235 Ca 0.06 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 2qts n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qts s GLU 236 N -2.03 2.26 0.27 1.61 2.02 -1.26 -4.94 118.70 116.63 2qts s GLU 236 Ca 0.09 -1.36 0.03 0.00 0.02 0.00 0.00 54.97 53.75 2qts s GLU 236 Cb -0.01 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 2qts s GLU 236 CO 0.03 -0.61 0.05 0.95 0.02 0.00 0.00 175.26 175.69 2qts s THR 237 N 1.14 0.91 0.37 3.63 -4.23 -1.26 -5.04 115.64 111.15 2qts s THR 237 Ca -0.06 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 58.60 2qts s THR 237 Cb -0.20 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.22 2qts s THR 237 CO -0.04 -0.13 1.88 0.44 -0.54 0.00 0.00 174.62 176.24 2qts h ASP 238 N 2.35 0.00 1.12 3.99 3.32 -1.98 -2.92 116.42 122.30 2qts h ASP 238 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2qts h ASP 238 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2qts h ASP 238 CO 0.65 0.30 -0.13 -0.62 -1.72 0.00 0.00 179.24 177.72 2qts n GLU 239 N -3.98 0.14 -4.03 3.56 4.71 -1.26 -4.88 120.64 114.89 2qts n GLU 239 Ca -0.02 0.09 -0.23 0.00 -0.01 0.00 0.00 57.16 56.99 2qts n GLU 239 Cb 0.36 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 2qts n GLU 239 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2qts s THR 240 N -3.06 4.88 0.01 2.62 -4.23 -1.10 -4.62 115.64 110.15 2qts s THR 240 Ca 0.11 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 2qts s THR 240 Cb 0.16 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 2qts s THR 240 CO 0.60 -0.24 0.02 -0.94 -0.54 0.00 0.00 174.62 173.51 2qts s SER 241 N -3.62 0.17 0.00 3.99 1.04 -1.26 -4.69 113.70 109.33 2qts s SER 241 Ca 0.33 -0.40 0.26 0.00 0.48 0.00 0.00 55.95 56.62 2qts s SER 241 Cb -0.09 0.13 0.69 0.00 0.10 0.00 0.00 66.02 66.85 2qts s SER 241 CO 0.27 -0.32 1.53 0.49 0.98 0.00 0.00 173.24 176.18 2qts n PHE 242 N 1.57 0.00 -3.88 5.02 3.72 -1.26 -4.93 117.46 117.69 2qts n PHE 242 Ca -0.23 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.91 2qts n PHE 242 Cb 0.55 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 2qts n PHE 242 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2qts s GLU 243 N -2.59 3.46 -0.05 -1.08 8.01 -1.26 -5.12 118.70 120.07 2qts s GLU 243 Ca 0.22 -0.56 0.05 0.00 0.01 0.00 0.00 54.97 54.69 2qts s GLU 243 Cb 0.19 -2.92 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 2qts s GLU 243 CO 0.56 0.47 -0.22 0.00 0.01 0.00 0.00 175.26 176.08 2qts s ALA 244 N -1.83 1.90 0.00 5.21 0.00 -1.26 -4.77 121.76 121.02 2qts s ALA 244 Ca 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2qts s ALA 244 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2qts s ALA 244 CO 0.29 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.82 2qts n GLY 245 N 3.00 0.87 3.23 0.00 0.00 -1.26 -4.54 105.19 106.49 2qts n GLY 245 Ca -0.18 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 2qts n GLY 245 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qts s ILE 246 N -3.29 0.96 -0.07 -0.61 -4.36 -0.83 -1.46 121.20 111.54 2qts s ILE 246 Ca 0.00 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 2qts s ILE 246 Cb 0.00 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 2qts s ILE 246 CO 0.00 -0.72 -0.13 -0.75 0.24 0.00 0.00 174.94 173.58 2qts s LYS 247 N -3.80 2.73 0.04 0.37 2.47 -0.04 -1.77 119.74 119.73 2qts s LYS 247 Ca 0.17 -0.67 0.04 0.00 -1.56 0.00 0.00 55.97 53.95 2qts s LYS 247 Cb 0.04 -2.47 -0.02 0.00 -1.46 0.00 0.00 37.83 33.92 2qts s LYS 247 CO -0.00 0.55 -0.11 0.08 0.16 0.00 0.00 175.35 176.02 2qts s VAL 248 N -0.52 0.88 -0.03 4.02 1.01 0.53 -0.85 120.40 125.44 2qts s VAL 248 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2qts s VAL 248 Cb -0.12 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.46 2qts s VAL 248 CO 0.02 -0.09 0.05 -1.58 0.00 0.00 0.00 175.10 173.49 2qts s GLN 249 N -1.16 -0.06 -0.26 2.72 0.74 -0.12 0.22 119.66 121.74 2qts s GLN 249 Ca -0.01 0.29 -0.13 0.00 0.05 0.00 0.00 55.36 55.56 2qts s GLN 249 Cb -0.08 -0.37 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 2qts s GLN 249 CO 0.01 -0.25 0.26 0.42 -0.55 0.00 0.00 175.29 175.18 2qts s ILE 250 N 1.62 5.27 0.14 -2.34 1.01 -1.26 -1.56 121.20 124.08 2qts s ILE 250 Ca -0.02 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2qts s ILE 250 Cb -0.12 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2qts s ILE 250 CO -0.03 0.25 0.30 -1.38 0.00 0.00 0.00 174.94 174.08 2qts s HIS 251 N 1.62 0.19 0.59 3.97 -3.43 -0.66 -4.85 115.29 112.71 2qts s HIS 251 Ca 0.11 -0.56 -0.19 0.00 -0.80 0.00 0.00 55.06 53.61 2qts s HIS 251 Cb -0.15 0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 2qts s HIS 251 CO 0.09 -0.69 1.23 0.45 -2.00 0.00 0.00 174.74 173.82 2qts s SER 252 N -2.90 5.19 0.53 7.38 0.15 -1.26 -0.52 113.70 122.26 2qts s SER 252 Ca 0.11 2.45 0.27 0.00 0.70 0.00 0.00 55.95 59.48 2qts s SER 252 Cb 0.03 -2.61 1.46 0.00 -1.71 0.00 0.00 66.02 63.20 2qts s SER 252 CO -0.05 -1.60 2.09 1.56 1.20 0.00 0.00 173.24 176.44 2qts h GLN 253 N 0.98 0.00 -0.65 5.44 4.20 -1.90 -2.44 115.11 120.75 2qts h GLN 253 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2qts h GLN 253 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2qts h GLN 253 CO 0.55 0.11 0.00 -0.40 -0.67 0.00 0.00 178.83 178.42 2qts n ASP 254 N -3.73 3.69 -4.00 1.46 5.68 -1.26 -4.82 116.55 113.58 2qts n ASP 254 Ca -0.02 -2.42 -0.26 0.00 -0.50 0.00 0.00 54.79 51.58 2qts n ASP 254 Cb 0.22 -0.53 -0.17 0.00 -1.14 0.00 0.00 41.12 39.50 2qts n ASP 254 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2qts s GLU 255 N -1.91 1.77 0.64 0.11 2.12 -0.92 -4.70 118.70 115.82 2qts s GLU 255 Ca 0.35 -0.40 -0.14 0.00 0.36 0.00 0.00 54.97 55.14 2qts s GLU 255 Cb 0.24 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 33.05 2qts s GLU 255 CO 0.14 -0.08 1.08 -1.25 -0.54 0.00 0.00 175.26 174.61 2qts s PRO 256 N 1.06 3.01 0.53 4.30 0.04 -1.26 -4.69 135.00 137.98 2qts s PRO 256 Ca -0.07 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 2qts s PRO 256 Cb -0.15 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2qts s PRO 256 CO -0.01 -1.06 0.98 -1.25 0.04 0.00 0.00 177.00 175.69 2qts s PRO 257 N -4.31 3.87 -0.33 0.56 0.04 -1.26 -4.83 135.00 128.75 2qts s PRO 257 Ca 0.63 0.88 0.17 0.00 0.04 0.00 0.00 61.00 62.73 2qts s PRO 257 Cb -0.17 -2.14 0.45 0.00 0.04 0.00 0.00 34.50 32.67 2qts s PRO 257 CO 0.43 -0.31 0.96 -0.11 0.04 0.00 0.00 177.00 178.01 2qts n LEU 258 N -1.77 1.21 -0.30 -3.56 7.94 -1.26 -5.00 117.00 114.27 2qts n LEU 258 Ca 0.06 -3.78 0.11 0.00 -1.11 0.00 0.00 56.01 51.28 2qts n LEU 258 Cb 0.54 0.43 0.34 0.00 0.53 0.00 0.00 43.42 45.26 2qts n LEU 258 CO 0.49 1.63 1.22 -0.29 -1.11 0.00 0.00 177.39 179.33 2qts h ILE 259 N 2.82 0.85 -0.02 1.96 2.10 -1.93 -0.36 117.51 122.93 2qts h ILE 259 Ca -0.10 -0.27 -0.03 0.00 1.08 0.00 0.00 64.86 65.55 2qts h ILE 259 Cb 1.17 0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2qts h ILE 259 CO 0.47 0.14 -0.12 -0.78 -1.08 0.00 0.00 178.15 176.78 2qts h ASP 260 N 0.78 0.03 0.02 2.19 3.58 -1.95 -1.11 116.42 119.96 2qts h ASP 260 Ca 0.47 -0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.58 2qts h ASP 260 Cb 0.66 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 2qts h ASP 260 CO -0.23 0.16 -1.84 0.00 -2.88 0.00 0.00 179.24 174.45 2qts n GLN 261 N -4.38 0.62 0.00 0.28 1.13 -0.81 -4.72 117.38 109.49 2qts n GLN 261 Ca -0.02 0.40 0.08 0.00 -1.94 0.00 0.00 57.00 55.52 2qts n GLN 261 Cb 0.20 -1.66 0.01 0.00 0.11 0.00 0.00 30.24 28.91 2qts n GLN 261 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2qts n LEU 262 N -4.10 1.79 -4.69 1.08 4.77 -0.21 -5.04 117.00 110.60 2qts n LEU 262 Ca -0.39 -0.81 -0.29 0.00 -0.03 0.00 0.00 56.01 54.49 2qts n LEU 262 Cb 0.83 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 42.11 2qts n LEU 262 CO 0.20 0.34 0.67 -0.83 -1.33 0.00 0.00 177.39 176.43 2qts s GLY 263 N -1.82 1.58 0.26 -0.72 0.00 -0.42 -4.96 107.32 101.24 2qts s GLY 263 Ca 0.15 -0.64 0.11 0.00 0.00 0.00 0.00 44.72 44.34 2qts s GLY 263 CO 0.37 0.06 -0.16 -0.11 0.00 0.00 0.00 173.10 173.26 2qts s PHE 264 N -3.11 2.40 0.22 1.90 -0.12 0.13 -4.88 117.98 114.52 2qts s PHE 264 Ca 0.67 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.25 2qts s PHE 264 Cb -0.14 -1.07 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 2qts s PHE 264 CO 0.56 0.66 0.41 0.20 -0.05 0.00 0.00 175.22 177.00 2qts s GLY 265 N -3.42 1.72 -0.04 1.99 0.00 -1.26 -0.34 107.32 105.96 2qts s GLY 265 Ca 0.29 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2qts s GLY 265 CO 0.16 -0.81 -0.00 0.14 0.00 0.00 0.00 173.10 172.58 2qts s VAL 266 N -1.92 0.27 0.13 1.40 1.01 -0.73 -4.93 120.40 115.63 2qts s VAL 266 Ca 0.38 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 2qts s VAL 266 Cb -0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2qts s VAL 266 CO 0.30 0.19 0.34 0.00 0.00 0.00 0.00 175.10 175.92 2qts s ALA 267 N 1.26 3.86 0.58 5.51 0.00 -1.26 -1.96 121.76 129.75 2qts s ALA 267 Ca -0.06 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 2qts s ALA 267 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2qts s ALA 267 CO -0.02 0.66 1.08 -1.25 0.00 0.00 0.00 175.76 176.23 2qts s PRO 268 N -2.77 3.28 0.00 0.00 0.04 -1.26 -3.63 135.00 130.66 2qts s PRO 268 Ca 0.39 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2qts s PRO 268 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2qts s PRO 268 CO 0.26 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2qts n GLY 269 N -0.53 0.58 3.13 0.56 0.00 0.19 -4.94 105.19 104.18 2qts n GLY 269 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2qts n GLY 269 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qts s PHE 270 N -2.00 0.12 -0.24 1.61 0.08 -1.24 -1.84 117.98 114.47 2qts s PHE 270 Ca 0.00 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 2qts s PHE 270 Cb 0.00 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.32 2qts s PHE 270 CO 0.00 -0.36 0.12 -1.14 -0.10 0.00 0.00 175.22 173.74 2qts s GLN 271 N -2.28 3.89 -0.17 0.44 0.74 0.40 -1.85 119.66 120.83 2qts s GLN 271 Ca -0.08 -0.36 -0.04 0.00 0.05 0.00 0.00 55.36 54.93 2qts s GLN 271 Cb -0.03 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 2qts s GLN 271 CO -0.03 -0.03 -0.04 0.99 -0.55 0.00 0.00 175.29 175.63 2qts s THR 272 N 1.27 3.81 -0.22 -0.34 2.01 0.68 -1.58 115.64 121.27 2qts s THR 272 Ca 0.06 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2qts s THR 272 Cb -0.14 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2qts s THR 272 CO 0.05 0.48 0.13 -0.36 -0.69 0.00 0.00 174.62 174.22 2qts s PHE 273 N 0.58 3.29 -0.33 4.92 0.08 0.43 -0.87 117.98 126.08 2qts s PHE 273 Ca -0.03 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.20 2qts s PHE 273 Cb -0.14 -2.21 0.09 0.00 -0.57 0.00 0.00 43.02 40.19 2qts s PHE 273 CO 0.03 0.08 0.04 0.08 -0.10 0.00 0.00 175.22 175.34 2qts s VAL 274 N 0.86 2.37 -0.30 -0.44 1.01 0.89 -1.66 120.40 123.13 2qts s VAL 274 Ca 0.06 -2.18 -0.20 0.00 0.00 0.00 0.00 61.98 59.67 2qts s VAL 274 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2qts s VAL 274 CO 0.03 -0.50 0.60 -0.55 0.00 0.00 0.00 175.10 174.68 2qts s SER 275 N 1.03 6.47 0.34 3.32 0.15 -0.20 -1.93 113.70 122.87 2qts s SER 275 Ca 0.07 0.41 0.08 0.00 0.70 0.00 0.00 55.95 57.21 2qts s SER 275 Cb -0.20 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2qts s SER 275 CO -0.07 -0.45 0.17 0.00 1.20 0.00 0.00 173.24 174.09 2qts s GLN 277 N -3.87 0.09 0.05 0.00 0.74 -0.53 -1.46 119.66 114.68 2qts s GLN 277 Ca 0.38 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 56.11 2qts s GLN 277 Cb -0.03 -0.17 -0.05 0.00 1.10 0.00 0.00 33.01 33.87 2qts s GLN 277 CO 0.23 -0.28 1.06 -2.00 -0.55 0.00 0.00 175.29 173.76 2qts s GLU 278 N 2.21 4.54 -0.21 1.67 2.12 -0.38 -1.30 118.70 127.35 2qts s GLU 278 Ca 0.01 1.57 0.00 0.00 0.36 0.00 0.00 54.97 56.92 2qts s GLU 278 Cb -0.12 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.93 2qts s GLU 278 CO -0.07 -0.08 -0.07 -0.65 -0.54 0.00 0.00 175.26 173.86 2qts s GLN 279 N 0.77 1.69 -0.29 4.30 -0.21 0.16 -0.78 119.66 125.30 2qts s GLN 279 Ca 0.53 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.94 2qts s GLN 279 Cb -0.25 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 2qts s GLN 279 CO 0.29 -0.52 0.26 1.03 -2.12 0.00 0.00 175.29 174.23 2qts s ARG 280 N 1.45 3.89 -0.09 2.91 0.52 -0.32 0.05 118.95 127.35 2qts s ARG 280 Ca -0.03 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2qts s ARG 280 Cb -0.17 -3.69 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 2qts s ARG 280 CO -0.07 -0.26 -0.08 -0.51 0.02 0.00 0.00 175.30 174.40 2qts s LEU 281 N 1.86 3.05 -0.07 2.53 1.02 0.14 -1.72 118.68 125.49 2qts s LEU 281 Ca 0.09 -0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.17 2qts s LEU 281 Cb -0.16 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.37 2qts s LEU 281 CO 0.11 0.29 -0.20 -0.63 0.02 0.00 0.00 176.35 175.94 2qts s ILE 282 N -0.36 1.70 0.12 -0.59 -1.09 -0.28 -1.00 121.20 119.69 2qts s ILE 282 Ca 0.05 -0.83 0.10 0.00 -2.23 0.00 0.00 60.65 57.74 2qts s ILE 282 Cb -0.12 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 2qts s ILE 282 CO 0.02 0.48 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.65 2qts s TYR 283 N 0.26 2.15 -0.04 3.97 2.02 0.72 -1.02 117.35 125.40 2qts s TYR 283 Ca -0.12 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.06 2qts s TYR 283 Cb -0.15 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 2qts s TYR 283 CO 0.05 0.29 0.34 -0.51 -1.57 0.00 0.00 175.55 174.16 2qts s LEU 284 N -1.99 4.44 0.99 -1.29 1.43 -1.26 -4.72 118.68 116.27 2qts s LEU 284 Ca 0.12 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 2qts s LEU 284 Cb -0.10 -2.46 0.21 0.00 0.03 0.00 0.00 46.19 43.87 2qts s LEU 284 CO 0.05 0.32 1.31 -2.16 0.23 0.00 0.00 176.35 176.10 2qts s PRO 285 N -0.92 0.44 0.72 1.29 0.04 -1.26 -2.70 135.00 132.60 2qts s PRO 285 Ca 0.21 -0.40 -0.16 0.00 0.04 0.00 0.00 61.00 60.70 2qts s PRO 285 Cb -0.15 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2qts s PRO 285 CO 0.11 -2.55 1.24 -2.14 0.04 0.00 0.00 177.00 173.70 2qts s PRO 286 N -5.86 2.12 0.00 0.56 0.02 0.23 -1.01 135.00 131.06 2qts s PRO 286 Ca 0.74 1.89 0.29 0.00 0.02 0.00 0.00 61.00 63.94 2qts s PRO 286 Cb -0.04 -1.82 1.28 0.00 0.02 0.00 0.00 34.50 33.94 2qts s PRO 286 CO 0.53 -1.88 1.88 -0.35 -0.33 0.00 0.00 177.00 176.85 2qts n PRO 287 N -2.58 1.07 0.03 5.54 -0.04 -1.26 -4.79 135.00 132.96 2qts n PRO 287 Ca 0.15 -0.43 -0.12 0.00 -0.04 0.00 0.00 63.50 63.05 2qts n PRO 287 Cb 0.49 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 2qts n PRO 287 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2qts h TRP 288 N 1.05 -0.11 -2.73 0.54 6.55 -1.72 -3.47 115.95 116.06 2qts h TRP 288 Ca 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2qts h TRP 288 Cb 0.34 0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 2qts h TRP 288 CO 0.00 0.37 0.00 0.41 -1.05 0.00 0.00 178.44 178.17 2qts n GLY 289 N 0.38 4.21 2.49 1.49 0.00 -0.18 -4.89 105.19 108.68 2qts n GLY 289 Ca -0.08 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 2qts n GLY 289 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qts n ASP 290 N -2.10 3.59 -2.63 1.61 5.75 -1.15 -0.60 116.55 121.01 2qts n ASP 290 Ca 0.00 -3.31 -0.05 0.00 -0.01 0.00 0.00 54.79 51.41 2qts n ASP 290 Cb 0.00 -0.46 0.03 0.00 -1.03 0.00 0.00 41.12 39.65 2qts n ASP 290 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qts s LYS 292 N -2.95 0.41 1.39 0.00 2.20 0.20 -4.67 119.74 116.33 2qts s LYS 292 Ca 0.16 0.18 -0.23 0.00 -0.36 0.00 0.00 55.97 55.72 2qts s LYS 292 Cb -0.01 -0.30 0.35 0.00 -1.51 0.00 0.00 37.83 36.36 2qts s LYS 292 CO 0.10 -1.00 0.98 0.00 -0.36 0.00 0.00 175.35 175.08 2qts s ALA 293 N 2.55 -0.35 -0.65 3.13 0.00 -1.26 -3.26 121.76 121.92 2qts s ALA 293 Ca 0.10 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 2qts s ALA 293 Cb -0.13 -2.89 -0.20 0.00 0.00 0.00 0.00 23.12 19.91 2qts s ALA 293 CO -0.29 -4.39 1.87 2.41 0.00 0.00 0.00 175.76 175.36 2qts n THR 294 N -5.46 1.50 -1.54 0.00 -1.04 -1.26 -4.87 114.28 101.61 2qts n THR 294 Ca 0.14 -1.32 -0.42 0.00 -2.04 0.00 0.00 64.05 60.41 2qts n THR 294 Cb 0.60 -2.26 -0.05 0.00 -1.82 0.00 0.00 70.33 66.81 2qts n THR 294 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2qts n THR 295 N 6.22 0.15 0.00 12.58 -1.04 -1.26 -4.65 114.28 126.28 2qts n THR 295 Ca 0.49 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2qts n THR 295 Cb 0.41 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 2qts n THR 295 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qts n GLY 296 N 6.06 4.09 3.27 3.41 0.00 -1.26 -4.58 105.19 116.19 2qts n GLY 296 Ca 0.37 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 2qts n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qts s ASP 297 N -4.00 -0.46 0.00 1.61 1.01 -1.26 -5.03 116.67 108.54 2qts s ASP 297 Ca 0.00 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.18 2qts s ASP 297 Cb 0.00 0.91 0.00 0.00 1.01 0.00 0.00 42.92 44.84 2qts s ASP 297 CO 0.00 -0.20 0.00 -1.20 0.21 0.00 0.00 175.17 173.98 2qts n SER 298 N 4.53 0.00 0.00 0.27 7.64 -1.26 -4.99 113.62 119.81 2qts n SER 298 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2qts n SER 298 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2qts n SER 298 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2qts n GLU 299 N 0.00 0.00 -0.05 1.43 4.07 -1.26 -4.98 120.64 119.85 2qts n GLU 299 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2qts n GLU 299 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2qts n GLU 299 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2qts n PHE 300 N 0.00 0.00 -4.57 4.31 3.72 -1.26 -5.01 117.46 114.64 2qts n PHE 300 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2qts n PHE 300 Cb 0.00 -0.43 -0.14 0.00 -0.94 0.00 0.00 39.48 37.98 2qts n PHE 300 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2qts s TYR 301 N -2.22 2.00 0.13 1.38 1.51 -1.26 -5.04 117.35 113.85 2qts s TYR 301 Ca -0.11 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2qts s TYR 301 Cb 0.03 -1.15 -0.17 0.00 -0.11 0.00 0.00 41.96 40.56 2qts s TYR 301 CO 0.29 0.17 1.29 -0.44 -1.11 0.00 0.00 175.55 175.75 2qts h ASP 302 N 4.50 0.07 -3.57 2.29 5.19 -1.96 -3.35 116.42 119.59 2qts h ASP 302 Ca -0.46 -0.07 -0.67 0.00 -0.62 0.00 0.00 57.03 55.21 2qts h ASP 302 Cb 1.16 -0.02 -0.16 0.00 0.18 0.00 0.00 39.33 40.49 2qts h ASP 302 CO 0.42 1.02 -0.71 -0.89 -3.12 0.00 0.00 179.24 175.96 2qts s THR 303 N -2.79 3.56 -0.04 0.35 2.01 -1.26 -4.91 115.64 112.56 2qts s THR 303 Ca -0.00 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.83 2qts s THR 303 Cb 0.10 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2qts s THR 303 CO 0.83 0.25 0.44 -0.47 -0.69 0.00 0.00 174.62 174.97 2qts s TYR 304 N -1.12 3.65 0.16 4.92 5.04 -1.26 -4.91 117.35 123.83 2qts s TYR 304 Ca 0.20 0.97 -0.20 0.00 -2.44 0.00 0.00 57.07 55.60 2qts s TYR 304 Cb -0.11 -2.40 0.05 0.00 0.35 0.00 0.00 41.96 39.85 2qts s TYR 304 CO 0.11 0.46 0.53 -1.54 -1.34 0.00 0.00 175.55 173.77 2qts s SER 305 N -0.45 -0.40 0.24 4.32 1.04 -1.26 -4.90 113.70 112.29 2qts s SER 305 Ca 0.25 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2qts s SER 305 Cb -0.16 0.56 0.33 0.00 0.10 0.00 0.00 66.02 66.84 2qts s SER 305 CO 0.12 -0.96 1.86 0.40 0.98 0.00 0.00 173.24 175.65 2qts h ILE 306 N 2.15 1.07 -0.44 -1.02 2.04 -1.96 -0.75 117.51 118.60 2qts h ILE 306 Ca -0.33 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 2qts h ILE 306 Cb 1.28 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2qts h ILE 306 CO 0.40 0.19 -0.25 0.74 0.00 0.00 0.00 178.15 179.23 2qts h THR 307 N 1.02 1.27 -0.56 -0.27 2.02 -1.96 -1.35 112.91 113.07 2qts h THR 307 Ca 0.37 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2qts h THR 307 Cb 0.14 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2qts h THR 307 CO -0.16 0.48 0.17 0.00 0.37 0.00 0.00 175.52 176.38 2qts h ALA 308 N 0.92 0.74 -0.62 6.16 0.00 -1.75 -1.27 119.26 123.43 2qts h ALA 308 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2qts h ALA 308 Cb 0.81 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2qts h ALA 308 CO 0.07 0.41 0.35 0.00 0.00 0.00 0.00 179.25 180.07 2qts h ARG 310 N 0.85 0.49 -0.60 0.00 3.08 -0.94 -1.43 114.38 115.82 2qts h ARG 310 Ca 0.22 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 2qts h ARG 310 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qts h ARG 310 CO -0.04 0.58 0.07 0.82 -1.07 0.00 0.00 179.97 180.33 2qts h ILE 311 N 0.32 1.26 0.12 2.04 2.04 -1.14 0.10 117.51 122.24 2qts h ILE 311 Ca 0.09 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2qts h ILE 311 Cb 0.32 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2qts h ILE 311 CO 0.00 0.38 -0.12 0.44 0.00 0.00 0.00 178.15 178.85 2qts h ASP 312 N 0.93 -0.33 -0.49 1.72 5.19 -1.19 0.31 116.42 122.56 2qts h ASP 312 Ca 0.18 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2qts h ASP 312 Cb 0.44 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 2qts h ASP 312 CO 0.02 -0.19 0.29 0.00 -3.12 0.00 0.00 179.24 176.24 2qts h GLU 314 N 0.65 1.11 0.03 0.00 5.08 -0.60 -0.90 114.58 119.96 2qts h GLU 314 Ca 0.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qts h GLU 314 Cb -0.01 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2qts h GLU 314 CO -0.03 0.88 -0.02 1.15 -1.00 0.00 0.00 179.01 179.99 2qts h THR 315 N 1.09 1.07 -0.87 1.13 2.02 -0.63 -0.89 112.91 115.83 2qts h THR 315 Ca 0.26 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.14 2qts h THR 315 Cb 0.14 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2qts h THR 315 CO -0.03 0.08 0.56 0.03 0.37 0.00 0.00 175.52 176.54 2qts h ARG 316 N -0.19 1.07 -0.41 6.66 3.08 -1.14 -0.38 114.38 123.08 2qts h ARG 316 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2qts h ARG 316 Cb 0.17 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2qts h ARG 316 CO 0.01 0.71 0.21 -0.92 -1.07 0.00 0.00 179.97 178.90 2qts h TYR 317 N 1.11 0.58 -0.45 3.04 3.20 -0.97 0.08 116.97 123.56 2qts h TYR 317 Ca 0.34 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 2qts h TYR 317 Cb -0.01 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2qts h TYR 317 CO -0.02 0.47 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.72 2qts h LEU 318 N 0.52 0.93 -0.27 2.82 4.07 -0.74 -0.40 115.31 122.24 2qts h LEU 318 Ca 0.14 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 2qts h LEU 318 Cb 0.10 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2qts h LEU 318 CO -0.02 1.11 0.10 0.58 -1.08 0.00 0.00 178.44 179.13 2qts h VAL 319 N 0.74 1.19 -0.49 1.22 2.07 -0.93 0.86 116.25 120.91 2qts h VAL 319 Ca 0.10 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2qts h VAL 319 Cb 0.74 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2qts h VAL 319 CO 0.06 0.20 0.18 -0.08 0.02 0.00 0.00 177.57 177.94 2qts h GLU 320 N 0.28 0.74 0.00 1.57 4.22 -0.93 0.28 114.58 120.74 2qts h GLU 320 Ca 0.09 -0.14 -0.13 0.00 0.08 0.00 0.00 59.36 59.26 2qts h GLU 320 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2qts h GLU 320 CO -0.00 0.68 -1.34 0.09 -2.18 0.00 0.00 179.01 176.25 2qts n ASN 321 N -4.54 0.83 0.00 1.04 3.02 -0.16 -4.46 115.26 110.98 2qts n ASN 321 Ca 0.01 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2qts n ASN 321 Cb 0.17 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2qts n ASN 321 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qts n ASN 323 N -0.92 -5.50 -3.53 0.00 3.02 0.99 -4.96 115.26 104.35 2qts n ASN 323 Ca 0.00 -0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.41 2qts n ASN 323 Cb 0.00 -4.53 -0.02 0.00 -0.61 0.00 0.00 39.78 34.62 2qts n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qts s ARG 325 N -3.56 1.58 0.61 0.00 1.70 -0.26 -3.25 118.95 115.76 2qts s ARG 325 Ca 0.04 -1.47 -0.14 0.00 -0.47 0.00 0.00 55.73 53.69 2qts s ARG 325 Cb -0.02 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 2qts s ARG 325 CO -0.08 0.41 1.04 -1.64 -1.08 0.00 0.00 175.30 173.95 2qts s MET 326 N -2.63 3.36 0.55 3.89 -1.94 -1.26 -1.21 119.30 120.06 2qts s MET 326 Ca 0.21 1.05 0.32 0.00 -1.71 0.00 0.00 55.69 55.55 2qts s MET 326 Cb -0.08 -2.04 1.48 0.00 2.01 0.00 0.00 34.83 36.19 2qts s MET 326 CO 0.10 -0.77 1.87 0.28 -0.01 0.00 0.00 175.02 176.49 2qts h VAL 327 N 0.14 0.50 -0.20 -6.03 2.07 -1.94 -1.14 116.25 109.64 2qts h VAL 327 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2qts h VAL 327 Cb 1.21 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2qts h VAL 327 CO 0.58 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.17 2qts n HIS 328 N -4.15 0.26 -3.75 1.57 -0.00 -1.26 -4.92 115.22 102.97 2qts n HIS 328 Ca 0.18 -0.13 -0.33 0.00 -0.00 0.00 0.00 57.72 57.44 2qts n HIS 328 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.90 2qts n HIS 328 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2qts s MET 329 N -1.74 3.57 1.02 -1.40 1.00 -0.43 -4.82 119.30 116.50 2qts s MET 329 Ca 0.34 -0.15 -0.17 0.00 0.00 0.00 0.00 55.69 55.71 2qts s MET 329 Cb 0.19 -2.97 0.22 0.00 0.00 0.00 0.00 34.83 32.27 2qts s MET 329 CO 0.28 0.56 1.28 -1.25 0.00 0.00 0.00 175.02 175.89 2qts s PRO 330 N -2.30 0.18 0.00 2.03 0.04 -1.26 -4.88 135.00 128.81 2qts s PRO 330 Ca 0.35 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2qts s PRO 330 Cb -0.13 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2qts s PRO 330 CO 0.22 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2qts n GLY 331 N -3.19 -1.13 0.01 0.56 0.00 -1.26 -4.78 105.19 95.40 2qts n GLY 331 Ca 0.15 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 44.05 2qts n GLY 331 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qts n ASP 332 N 0.00 0.36 -4.60 1.61 10.43 -1.26 -5.04 116.55 118.05 2qts n ASP 332 Ca 0.00 -0.68 -0.36 0.00 2.57 0.00 0.00 54.79 56.32 2qts n ASP 332 Cb 0.00 0.97 0.08 0.00 1.84 0.00 0.00 41.12 44.01 2qts n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qts n ALA 333 N -1.12 -0.31 -1.78 2.24 0.00 -1.26 -4.94 120.51 113.35 2qts n ALA 333 Ca 0.01 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 2qts n ALA 333 Cb 0.11 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 2qts n ALA 333 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qts s PRO 334 N -3.20 3.45 0.20 0.00 0.04 -1.26 -4.67 135.00 129.56 2qts s PRO 334 Ca 0.73 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2qts s PRO 334 Cb -0.35 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 2qts s PRO 334 CO 0.50 -0.76 1.09 0.71 0.04 0.00 0.00 177.00 178.58 2qts s TYR 335 N -1.78 3.61 0.39 0.56 2.02 -1.26 -1.10 117.35 119.79 2qts s TYR 335 Ca 0.71 1.63 -0.27 0.00 -0.37 0.00 0.00 57.07 58.77 2qts s TYR 335 Cb -0.23 -3.26 -0.10 0.00 -0.40 0.00 0.00 41.96 37.97 2qts s TYR 335 CO 0.27 -0.54 1.44 0.00 -1.57 0.00 0.00 175.55 175.15 2qts s THR 337 N -1.15 2.07 0.27 0.00 -4.23 -1.26 -4.59 115.64 106.75 2qts s THR 337 Ca 0.55 -0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2qts s THR 337 Cb -0.45 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.67 2qts s THR 337 CO 0.60 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.90 2qts h PRO 338 N -0.97 1.13 -0.48 3.99 0.11 -1.95 0.01 132.00 133.84 2qts h PRO 338 Ca -0.45 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2qts h PRO 338 Cb 1.32 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2qts h PRO 338 CO 0.63 0.75 0.26 1.49 -0.21 0.00 0.00 178.00 180.92 2qts h GLU 339 N 1.16 0.67 -0.03 1.05 4.81 -1.93 -1.96 114.58 118.36 2qts h GLU 339 Ca 0.44 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 2qts h GLU 339 Cb 0.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2qts h GLU 339 CO -0.18 0.52 -0.37 1.96 -0.73 0.00 0.00 179.01 180.21 2qts h GLN 340 N 0.63 0.05 0.45 1.92 4.20 -1.72 0.00 115.11 120.64 2qts h GLN 340 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2qts h GLN 340 Cb 0.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2qts h GLN 340 CO -0.03 0.42 -0.22 1.88 -0.67 0.00 0.00 178.83 180.22 2qts h TYR 341 N 0.05 -0.56 -0.44 2.96 -1.99 -0.48 0.45 116.97 116.95 2qts h TYR 341 Ca 0.00 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 2qts h TYR 341 Cb 0.69 0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 2qts h TYR 341 CO 0.00 -0.29 0.12 -0.22 -0.00 0.00 0.00 178.16 177.77 2qts h LYS 342 N -0.71 0.70 0.00 4.88 3.64 -1.23 0.15 116.57 124.00 2qts h LYS 342 Ca -0.06 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.02 2qts h LYS 342 Cb 0.52 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2qts h LYS 342 CO 0.10 0.69 -1.06 0.93 -2.27 0.00 0.00 179.45 177.84 2qts h GLU 343 N 0.58 0.00 0.00 1.90 5.08 -1.02 -3.43 114.58 117.69 2qts h GLU 343 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qts h GLU 343 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qts h GLU 343 CO -0.00 0.37 -0.26 0.00 -1.00 0.00 0.00 179.01 178.12 2qts h ALA 345 N 0.00 -0.86 -0.46 0.00 0.00 -0.20 -1.06 119.26 116.68 2qts h ALA 345 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qts h ALA 345 Cb 0.26 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qts h ALA 345 CO 0.00 -0.93 0.29 -0.44 0.00 0.00 0.00 179.25 178.18 2qts h ASP 346 N -0.97 0.54 -0.89 0.00 3.32 -0.92 -0.54 116.42 116.96 2qts h ASP 346 Ca -0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2qts h ASP 346 Cb 0.69 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2qts h ASP 346 CO 0.14 0.41 0.57 -0.65 -1.72 0.00 0.00 179.24 178.00 2qts h PRO 347 N 0.62 1.19 -0.15 3.56 0.11 -1.74 -0.52 132.00 135.07 2qts h PRO 347 Ca 0.17 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 2qts h PRO 347 Cb -0.04 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.80 2qts h PRO 347 CO -0.03 0.81 -0.07 0.00 -0.21 0.00 0.00 178.00 178.49 2qts h ALA 348 N 1.41 0.21 -0.53 -0.75 0.00 -0.74 -1.47 119.26 117.39 2qts h ALA 348 Ca 0.33 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2qts h ALA 348 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qts h ALA 348 CO -0.07 0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.37 2qts h LEU 349 N -0.02 0.94 -1.13 0.00 5.85 -1.00 -2.10 115.31 117.86 2qts h LEU 349 Ca 0.03 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2qts h LEU 349 Cb 0.54 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2qts h LEU 349 CO 0.02 1.03 0.49 0.44 -0.34 0.00 0.00 178.44 180.09 2qts h ASP 350 N 0.86 0.96 -0.31 1.25 3.32 -1.04 -0.62 116.42 120.84 2qts h ASP 350 Ca 0.15 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2qts h ASP 350 Cb 0.60 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2qts h ASP 350 CO 0.04 0.73 0.19 0.15 -1.72 0.00 0.00 179.24 178.63 2qts h PHE 351 N 1.11 0.41 -0.46 4.55 3.57 -0.84 -0.09 116.94 125.18 2qts h PHE 351 Ca 0.29 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2qts h PHE 351 Cb -0.06 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2qts h PHE 351 CO 0.00 0.29 0.21 -0.07 -2.23 0.00 0.00 178.31 176.52 2qts h LEU 352 N 0.40 0.61 -0.06 0.59 3.38 -0.69 0.21 115.31 119.76 2qts h LEU 352 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qts h LEU 352 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2qts h LEU 352 CO -0.02 0.58 -0.25 1.33 0.09 0.00 0.00 178.44 180.17 2qts n VAL 353 N -4.63 0.00 -0.01 1.22 0.24 -0.31 -4.13 118.33 110.71 2qts n VAL 353 Ca 0.01 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2qts n VAL 353 Cb 0.12 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 2qts n VAL 353 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qts n GLU 354 N -1.38 0.12 -0.10 7.34 1.02 -0.06 -4.95 120.64 122.63 2qts n GLU 354 Ca 0.08 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2qts n GLU 354 Cb 0.33 -0.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.90 2qts n GLU 354 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qts n LYS 355 N -3.42 0.81 -1.63 3.49 5.02 -0.03 -5.02 118.16 117.39 2qts n LYS 355 Ca -0.09 0.03 -0.46 0.00 -2.02 0.00 0.00 58.31 55.77 2qts n LYS 355 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 2qts n LYS 355 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qts n ASP 356 N -2.85 2.05 0.00 4.39 2.03 0.54 -4.91 116.55 117.79 2qts n ASP 356 Ca -0.35 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2qts n ASP 356 Cb 1.07 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2qts n ASP 356 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2qts n ASN 357 N 1.99 0.47 0.00 1.67 5.03 -1.26 -4.92 115.26 118.24 2qts n ASN 357 Ca 0.13 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.76 2qts n ASN 357 Cb 0.29 0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 2qts n ASN 357 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2qts n GLU 358 N -0.17 0.00 -0.21 3.52 1.02 -1.26 -4.93 120.64 118.62 2qts n GLU 358 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2qts n GLU 358 Cb 0.07 -0.49 0.04 0.00 -0.02 0.00 0.00 31.44 31.03 2qts n GLU 358 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2qts h TYR 359 N 0.00 0.76 -3.19 -0.32 0.05 -2.00 -3.36 116.97 108.92 2qts h TYR 359 Ca 0.00 0.01 -0.63 0.00 0.05 0.00 0.00 58.73 58.17 2qts h TYR 359 Cb 0.00 -0.26 -0.41 0.00 1.01 0.00 0.00 36.73 37.08 2qts h TYR 359 CO 0.00 0.49 -0.66 0.00 -1.05 0.00 0.00 178.16 176.94 2qts s VAL 361 N -0.28 2.76 0.03 0.00 1.01 -1.26 -4.98 120.40 117.69 2qts s VAL 361 Ca 0.19 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2qts s VAL 361 Cb -0.21 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2qts s VAL 361 CO -0.03 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 2qts s GLU 363 N -1.58 4.28 0.11 0.00 2.02 -1.26 -5.00 118.70 117.27 2qts s GLU 363 Ca 0.17 1.01 -0.31 0.00 0.02 0.00 0.00 54.97 55.87 2qts s GLU 363 Cb -0.11 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 2qts s GLU 363 CO 0.08 0.19 1.76 -1.64 0.02 0.00 0.00 175.26 175.67 2qts s MET 364 N -2.56 4.16 0.72 1.61 -1.94 -1.26 -4.81 119.30 115.21 2qts s MET 364 Ca 0.53 2.50 -0.12 0.00 -1.71 0.00 0.00 55.69 56.88 2qts s MET 364 Cb -0.14 -3.56 0.03 0.00 2.01 0.00 0.00 34.83 33.17 2qts s MET 364 CO 0.19 -0.80 1.09 -2.14 -0.01 0.00 0.00 175.02 173.35 2qts s PRO 365 N 2.60 2.59 0.13 2.03 0.02 -1.26 0.62 135.00 141.74 2qts s PRO 365 Ca 0.78 1.20 0.26 0.00 0.02 0.00 0.00 61.00 63.25 2qts s PRO 365 Cb -0.44 -1.94 0.67 0.00 0.02 0.00 0.00 34.50 32.82 2qts s PRO 365 CO 0.35 -1.39 1.60 0.00 -0.33 0.00 0.00 177.00 177.23 2qts s ASN 367 N -4.11 1.89 -0.02 0.00 3.84 -1.26 -0.20 114.94 115.08 2qts s ASN 367 Ca 0.10 -0.22 0.01 0.00 0.21 0.00 0.00 52.86 52.95 2qts s ASN 367 Cb 0.14 -0.69 0.01 0.00 -0.55 0.00 0.00 41.25 40.17 2qts s ASN 367 CO 0.64 -0.13 -0.03 -0.69 -2.79 0.00 0.00 177.10 174.10 2qts s VAL 368 N 1.68 0.32 -0.26 -5.21 1.01 -0.17 -4.97 120.40 112.79 2qts s VAL 368 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2qts s VAL 368 Cb -0.13 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.93 2qts s VAL 368 CO -0.06 0.14 -0.03 -0.89 0.00 0.00 0.00 175.10 174.26 2qts s THR 369 N 0.57 3.12 0.00 3.92 2.01 -1.26 0.24 115.64 124.25 2qts s THR 369 Ca -0.06 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.02 2qts s THR 369 Cb -0.09 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2qts s THR 369 CO -0.01 0.18 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.47 2qts s ARG 370 N 1.37 2.67 -0.34 4.92 3.52 0.11 -4.79 118.95 126.40 2qts s ARG 370 Ca 0.01 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 2qts s ARG 370 Cb -0.17 -2.59 0.08 0.00 -1.56 0.00 0.00 34.95 30.72 2qts s ARG 370 CO -0.03 0.61 0.07 0.71 -0.81 0.00 0.00 175.30 175.86 2qts s TYR 371 N -1.05 3.50 0.40 5.12 2.02 -1.26 0.38 117.35 126.47 2qts s TYR 371 Ca 0.18 -2.39 -0.25 0.00 -0.37 0.00 0.00 57.07 54.25 2qts s TYR 371 Cb -0.11 -2.68 -0.09 0.00 -0.40 0.00 0.00 41.96 38.68 2qts s TYR 371 CO 0.09 -0.91 1.11 0.20 -1.57 0.00 0.00 175.55 174.48 2qts s GLY 372 N 1.35 2.81 -0.04 0.71 0.00 -0.42 -4.86 107.32 106.88 2qts s GLY 372 Ca 0.03 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 2qts s GLY 372 CO -0.04 1.32 0.25 -1.59 0.00 0.00 0.00 173.10 173.04 2qts s LYS 373 N -2.38 0.49 -0.15 2.90 -2.85 -1.26 -1.45 119.74 115.04 2qts s LYS 373 Ca 0.58 -0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.51 2qts s LYS 373 Cb -0.27 0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.74 2qts s LYS 373 CO 0.34 -0.11 -0.17 -1.21 0.10 0.00 0.00 175.35 174.29 2qts s GLU 374 N -0.81 2.62 -0.01 1.78 2.02 0.01 -4.95 118.70 119.35 2qts s GLU 374 Ca -0.09 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 2qts s GLU 374 Cb -0.05 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2qts s GLU 374 CO 0.02 -0.19 0.06 -0.51 0.02 0.00 0.00 175.26 174.66 2qts s LEU 375 N 1.29 3.79 0.17 1.80 1.02 -1.26 -1.03 118.68 124.46 2qts s LEU 375 Ca 0.03 0.11 -0.12 0.00 0.02 0.00 0.00 54.13 54.16 2qts s LEU 375 Cb -0.13 -2.18 0.01 0.00 0.02 0.00 0.00 46.19 43.90 2qts s LEU 375 CO -0.10 0.28 0.37 -0.94 0.02 0.00 0.00 176.35 175.98 2qts s SER 376 N -1.65 -0.07 0.09 2.29 1.04 -0.66 -4.99 113.70 109.75 2qts s SER 376 Ca 0.21 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 2qts s SER 376 Cb -0.12 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2qts s SER 376 CO 0.12 -0.93 0.29 0.00 0.98 0.00 0.00 173.24 173.70 2qts s MET 377 N -3.92 0.91 0.13 4.02 0.23 -1.26 -0.43 119.30 118.98 2qts s MET 377 Ca 0.13 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 54.05 2qts s MET 377 Cb 0.02 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 2qts s MET 377 CO -0.03 -0.31 -0.04 0.14 -2.03 0.00 0.00 175.02 172.75 2qts s VAL 378 N -3.48 0.72 0.26 5.16 -7.23 -0.61 -4.97 120.40 110.25 2qts s VAL 378 Ca 0.02 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 2qts s VAL 378 Cb 0.02 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 2qts s VAL 378 CO -0.09 -0.69 0.84 -0.75 -0.31 0.00 0.00 175.10 174.10 2qts s LYS 379 N -3.86 4.47 -0.01 4.82 2.20 -1.26 -0.46 119.74 125.64 2qts s LYS 379 Ca 0.18 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2qts s LYS 379 Cb 0.05 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2qts s LYS 379 CO -0.01 0.37 0.01 -1.50 -0.36 0.00 0.00 175.35 173.87 2qts s ILE 380 N -1.51 -0.02 0.53 5.43 2.07 -0.77 -4.46 121.20 122.48 2qts s ILE 380 Ca 0.45 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.79 2qts s ILE 380 Cb -0.19 -0.05 0.02 0.00 0.13 0.00 0.00 42.46 42.37 2qts s ILE 380 CO 0.23 0.05 0.77 -2.16 -1.91 0.00 0.00 174.94 171.92 2qts s PRO 381 N 0.52 2.79 0.68 3.50 0.04 -1.26 -4.13 135.00 137.13 2qts s PRO 381 Ca -0.04 -0.50 -0.10 0.00 0.04 0.00 0.00 61.00 60.40 2qts s PRO 381 Cb -0.06 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2qts s PRO 381 CO -0.01 -0.57 1.05 -1.54 0.04 0.00 0.00 177.00 175.96 2qts s SER 382 N -4.33 5.39 0.40 6.66 1.04 -1.26 -4.85 113.70 116.75 2qts s SER 382 Ca 0.53 0.97 0.07 0.00 0.48 0.00 0.00 55.95 58.00 2qts s SER 382 Cb -0.10 -1.79 0.81 0.00 0.10 0.00 0.00 66.02 65.04 2qts s SER 382 CO 0.40 -1.32 2.01 0.11 0.98 0.00 0.00 173.24 175.42 2qts h LYS 383 N -0.56 0.50 0.00 4.02 1.57 -2.01 -1.66 116.57 118.44 2qts h LYS 383 Ca -0.45 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2qts h LYS 383 Cb 1.26 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2qts h LYS 383 CO 0.63 0.39 -0.02 0.00 -0.57 0.00 0.00 179.45 179.88 2qts h ALA 384 N 1.69 1.00 0.00 3.86 0.00 -2.05 -3.26 119.26 120.49 2qts h ALA 384 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qts h ALA 384 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qts h ALA 384 CO -0.02 0.03 -0.71 -1.13 0.00 0.00 0.00 179.25 177.42 2qts n SER 385 N -3.11 0.71 -0.24 0.00 3.41 -0.85 -4.62 113.62 108.91 2qts n SER 385 Ca 0.02 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2qts n SER 385 Cb 0.39 1.03 0.12 0.00 -0.26 0.00 0.00 64.21 65.50 2qts n SER 385 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qts h ALA 386 N 1.95 0.96 -0.42 7.33 0.00 -1.37 -1.92 119.26 125.79 2qts h ALA 386 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2qts h ALA 386 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qts h ALA 386 CO 0.00 0.02 -0.21 -0.22 0.00 0.00 0.00 179.25 178.84 2qts h LYS 387 N 0.67 0.88 -0.37 0.00 3.64 -1.82 -0.88 116.57 118.70 2qts h LYS 387 Ca 0.33 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2qts h LYS 387 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2qts h LYS 387 CO -0.22 1.03 0.19 -0.92 -2.27 0.00 0.00 179.45 177.26 2qts h TYR 388 N 0.70 0.34 -0.40 1.91 3.20 -1.75 -1.20 116.97 119.77 2qts h TYR 388 Ca 0.09 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 2qts h TYR 388 Cb 0.77 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2qts h TYR 388 CO 0.06 0.19 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.39 2qts h LEU 389 N 0.38 0.92 -0.78 2.82 3.38 -1.29 -0.40 115.31 120.34 2qts h LEU 389 Ca 0.15 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qts h LEU 389 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2qts h LEU 389 CO -0.10 1.15 0.49 0.00 0.09 0.00 0.00 178.44 180.06 2qts h ALA 390 N 0.91 1.00 -0.11 1.53 0.00 -0.93 -1.79 119.26 119.87 2qts h ALA 390 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qts h ALA 390 Cb 0.86 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qts h ALA 390 CO 0.08 0.44 -0.10 0.87 0.00 0.00 0.00 179.25 180.54 2qts h LYS 391 N 1.07 0.26 -0.80 0.00 6.56 -1.10 0.31 116.57 122.87 2qts h LYS 391 Ca 0.28 -0.13 0.08 0.00 -1.06 0.00 0.00 60.65 59.81 2qts h LYS 391 Cb -0.07 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.54 2qts h LYS 391 CO -0.06 0.66 0.53 -0.22 -2.06 0.00 0.00 179.45 178.30 2qts h LYS 392 N -0.13 0.81 -0.37 3.15 3.64 -0.87 -2.53 116.57 120.27 2qts h LYS 392 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2qts h LYS 392 Cb 0.61 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2qts h LYS 392 CO 0.03 0.53 0.00 0.66 -2.27 0.00 0.00 179.45 178.40 2qts n TYR 393 N -4.49 0.49 -3.70 1.91 4.02 -0.69 -5.00 117.16 109.70 2qts n TYR 393 Ca 0.13 -0.45 -0.32 0.00 -0.01 0.00 0.00 57.90 57.25 2qts n TYR 393 Cb 0.25 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 39.60 2qts n TYR 393 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qts n ASN 394 N 0.71 -5.26 -4.18 7.72 5.15 0.34 -5.01 115.26 114.73 2qts n ASN 394 Ca 0.13 -1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 52.97 2qts n ASN 394 Cb 0.44 -3.32 -0.10 0.00 -0.53 0.00 0.00 39.78 36.28 2qts n ASN 394 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qts s LYS 395 N -6.03 0.94 0.68 1.20 3.01 0.84 -5.02 119.74 115.35 2qts s LYS 395 Ca 0.47 -1.43 -0.11 0.00 -1.01 0.00 0.00 55.97 53.90 2qts s LYS 395 Cb -0.17 -0.06 -0.00 0.00 -1.01 0.00 0.00 37.83 36.59 2qts s LYS 395 CO 0.87 -0.14 1.05 -1.54 0.51 0.00 0.00 175.35 176.10 2qts s SER 396 N -3.08 5.58 0.41 2.83 1.04 -1.26 -4.41 113.70 114.81 2qts s SER 396 Ca 0.19 1.52 0.10 0.00 0.48 0.00 0.00 55.95 58.25 2qts s SER 396 Cb 0.07 -2.44 0.87 0.00 0.10 0.00 0.00 66.02 64.62 2qts s SER 396 CO -0.00 -1.30 1.98 -0.33 0.98 0.00 0.00 173.24 174.57 2qts h GLU 397 N -0.62 0.26 -0.37 4.02 5.08 -1.93 -2.37 114.58 118.65 2qts h GLU 397 Ca -0.44 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2qts h GLU 397 Cb 1.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2qts h GLU 397 CO 0.59 0.32 0.00 0.37 -1.00 0.00 0.00 179.01 179.29 2qts h GLN 398 N 0.26 0.65 -0.55 2.33 4.15 -1.96 -2.87 115.11 117.12 2qts h GLN 398 Ca 0.06 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.31 2qts h GLN 398 Cb 0.23 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 2qts h GLN 398 CO 0.01 0.75 0.32 -0.92 -1.93 0.00 0.00 178.83 177.06 2qts h TYR 399 N 0.47 0.60 -0.48 3.99 5.03 -1.81 -2.41 116.97 122.35 2qts h TYR 399 Ca 0.11 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.51 2qts h TYR 399 Cb 0.46 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 2qts h TYR 399 CO 0.04 0.33 0.14 0.82 -1.32 0.00 0.00 178.16 178.17 2qts h ILE 400 N 0.63 0.79 0.00 1.81 1.08 -1.31 -0.60 117.51 119.91 2qts h ILE 400 Ca 0.22 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2qts h ILE 400 Cb 0.05 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2qts h ILE 400 CO -0.11 0.05 -0.05 1.23 -0.69 0.00 0.00 178.15 178.58 2qts h GLY 401 N 0.30 0.00 0.04 5.37 0.00 -1.23 -1.43 103.07 106.13 2qts h GLY 401 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2qts h GLY 401 CO -0.27 0.00 -1.37 1.18 0.00 0.00 0.00 176.54 176.08 2qts n GLU 402 N -3.24 0.27 0.00 4.80 1.02 -0.68 -3.88 120.64 118.92 2qts n GLU 402 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2qts n GLU 402 Cb 0.26 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2qts n GLU 402 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qts n ASN 403 N -1.81 3.83 -4.80 1.62 3.02 -0.32 -4.74 115.26 112.05 2qts n ASN 403 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 2qts n ASN 403 Cb 0.43 0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 40.25 2qts n ASN 403 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qts s ILE 404 N -1.57 4.79 0.02 2.41 -1.09 -0.55 -1.47 121.20 123.74 2qts s ILE 404 Ca 0.00 1.20 -0.06 0.00 -2.23 0.00 0.00 60.65 59.56 2qts s ILE 404 Cb 0.00 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2qts s ILE 404 CO 0.00 0.53 0.11 -1.48 -1.23 0.00 0.00 174.94 172.87 2qts s LEU 405 N -0.92 1.70 -0.03 2.97 0.05 -0.70 0.54 118.68 122.29 2qts s LEU 405 Ca 0.29 -0.36 0.06 0.00 0.05 0.00 0.00 54.13 54.17 2qts s LEU 405 Cb -0.19 0.61 -0.01 0.00 -2.05 0.00 0.00 46.19 44.55 2qts s LEU 405 CO 0.18 -0.42 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.65 2qts s VAL 406 N -1.90 1.77 -0.09 1.48 1.01 -0.77 -1.09 120.40 120.81 2qts s VAL 406 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2qts s VAL 406 Cb -0.05 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2qts s VAL 406 CO -0.01 0.50 -0.08 -0.22 0.00 0.00 0.00 175.10 175.29 2qts s LEU 407 N -0.39 1.29 -0.18 3.92 2.96 -0.04 -0.23 118.68 126.01 2qts s LEU 407 Ca 0.05 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2qts s LEU 407 Cb -0.10 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.84 2qts s LEU 407 CO 0.00 -0.07 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.01 2qts s ASP 408 N 1.34 3.59 -0.18 3.68 1.11 -0.05 -1.40 116.67 124.77 2qts s ASP 408 Ca -0.02 -0.53 0.01 0.00 0.18 0.00 0.00 52.55 52.18 2qts s ASP 408 Cb -0.14 -1.57 0.01 0.00 1.07 0.00 0.00 42.92 42.30 2qts s ASP 408 CO -0.04 0.02 -0.19 -0.63 1.18 0.00 0.00 175.17 175.52 2qts s ILE 409 N 1.21 2.22 0.38 0.77 1.01 -0.20 -0.08 121.20 126.51 2qts s ILE 409 Ca 0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2qts s ILE 409 Cb -0.14 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.43 2qts s ILE 409 CO -0.07 0.53 0.63 2.22 0.00 0.00 0.00 174.94 178.25 2qts n PHE 410 N 4.51 -1.87 -4.33 3.97 -1.74 -0.81 -0.56 117.46 116.62 2qts n PHE 410 Ca -0.20 -2.20 -0.30 0.00 -0.56 0.00 0.00 57.45 54.19 2qts n PHE 410 Cb 0.50 0.73 -0.11 0.00 1.52 0.00 0.00 39.48 42.12 2qts n PHE 410 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2qts s PHE 411 N -2.53 2.59 0.90 2.97 0.40 -1.26 -0.04 117.98 121.00 2qts s PHE 411 Ca 0.24 -0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.20 2qts s PHE 411 Cb -0.03 -1.38 0.15 0.00 0.51 0.00 0.00 43.02 42.27 2qts s PHE 411 CO 0.17 0.38 1.23 -1.83 0.70 0.00 0.00 175.22 175.88 2qts s GLU 412 N -2.06 1.18 0.11 0.44 -1.05 -0.54 -1.02 118.70 115.76 2qts s GLU 412 Ca 0.18 -0.10 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 2qts s GLU 412 Cb -0.11 -1.88 -0.09 0.00 -0.44 0.00 0.00 34.13 31.61 2qts s GLU 412 CO 0.10 -2.10 1.64 0.00 0.95 0.00 0.00 175.26 175.85 2qts h ALA 413 N -1.42 -0.49 -0.75 -0.84 0.00 -1.90 -3.05 119.26 110.82 2qts h ALA 413 Ca -0.46 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 53.71 2qts h ALA 413 Cb 1.29 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2qts h ALA 413 CO 0.52 -0.82 2.33 1.28 0.00 0.00 0.00 179.25 182.56 2qts n LEU 414 N -5.39 5.43 -0.35 0.00 4.77 -1.26 -4.45 117.00 115.76 2qts n LEU 414 Ca -0.07 -4.04 0.12 0.00 -0.03 0.00 0.00 56.01 51.99 2qts n LEU 414 Cb 0.30 -1.71 0.55 0.00 -2.33 0.00 0.00 43.42 40.22 2qts n LEU 414 CO 0.26 0.45 0.87 -0.46 -1.33 0.00 0.00 177.39 177.18 2qts n ASN 415 N 7.52 1.07 -3.69 -1.43 0.23 -1.15 -4.84 115.26 112.97 2qts n ASN 415 Ca 0.48 -1.48 -0.17 0.00 -0.53 0.00 0.00 54.58 52.89 2qts n ASN 415 Cb 0.44 -0.04 -0.16 0.00 -2.08 0.00 0.00 39.78 37.95 2qts n ASN 415 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qts s TYR 416 N -1.93 -0.12 0.01 -2.53 5.04 -0.68 -1.24 117.35 115.89 2qts s TYR 416 Ca 0.36 0.49 0.06 0.00 -2.44 0.00 0.00 57.07 55.54 2qts s TYR 416 Cb 0.19 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.22 2qts s TYR 416 CO 0.30 -0.22 -0.18 -2.00 -1.34 0.00 0.00 175.55 172.11 2qts s GLU 417 N 1.95 1.36 -0.06 4.97 2.12 0.04 -0.46 118.70 128.63 2qts s GLU 417 Ca 0.00 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.64 2qts s GLU 417 Cb -0.12 -1.36 0.01 0.00 0.26 0.00 0.00 34.13 32.92 2qts s GLU 417 CO -0.05 0.36 -0.13 0.95 -0.54 0.00 0.00 175.26 175.86 2qts s THR 418 N -0.55 1.14 -0.28 -1.70 -4.23 0.32 -1.18 115.64 109.16 2qts s THR 418 Ca 0.06 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2qts s THR 418 Cb -0.07 -1.03 0.08 0.00 1.34 0.00 0.00 72.50 72.82 2qts s THR 418 CO 0.00 0.35 0.05 -0.63 -0.54 0.00 0.00 174.62 173.85 2qts s ILE 419 N 0.52 1.14 -0.05 2.99 1.01 -0.70 -1.96 121.20 124.15 2qts s ILE 419 Ca -0.12 -1.34 0.05 0.00 0.00 0.00 0.00 60.65 59.24 2qts s ILE 419 Cb -0.14 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 2qts s ILE 419 CO 0.03 -0.46 -0.20 -0.70 0.00 0.00 0.00 174.94 173.61 2qts s GLU 420 N 1.52 2.11 -0.06 2.79 2.12 -0.52 -1.13 118.70 125.53 2qts s GLU 420 Ca 0.05 -0.71 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 2qts s GLU 420 Cb -0.18 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.39 2qts s GLU 420 CO -0.16 0.26 0.75 -0.65 -0.54 0.00 0.00 175.26 174.92 2qts s GLN 421 N 0.05 4.45 0.06 4.30 -0.21 -0.19 0.23 119.66 128.35 2qts s GLN 421 Ca -0.06 0.97 0.04 0.00 0.02 0.00 0.00 55.36 56.33 2qts s GLN 421 Cb -0.13 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2qts s GLN 421 CO 0.03 0.02 -0.13 0.15 -2.12 0.00 0.00 175.29 173.25 2qts s LYS 422 N 0.91 0.77 -0.04 2.91 1.02 0.33 -4.50 119.74 121.13 2qts s LYS 422 Ca 0.40 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 2qts s LYS 422 Cb -0.18 -0.73 -0.07 0.00 -0.52 0.00 0.00 37.83 36.33 2qts s LYS 422 CO 0.19 0.16 1.98 0.15 -0.92 0.00 0.00 175.35 176.92 2qts s LYS 423 N -1.59 3.89 0.39 1.68 1.02 -1.26 0.12 119.74 123.98 2qts s LYS 423 Ca -0.03 2.39 0.25 0.00 0.02 0.00 0.00 55.97 58.61 2qts s LYS 423 Cb -0.10 -4.19 0.66 0.00 -0.52 0.00 0.00 37.83 33.68 2qts s LYS 423 CO 0.02 -1.24 1.72 0.00 -0.92 0.00 0.00 175.35 174.93 2qts h ALA 424 N 11.57 1.00 -2.04 5.17 0.00 -1.67 -3.42 119.26 129.88 2qts h ALA 424 Ca -0.46 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.11 2qts h ALA 424 Cb 1.23 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.70 2qts h ALA 424 CO 0.95 0.00 -0.65 -0.47 0.00 0.00 0.00 179.25 179.08 2qts s TYR 425 N -3.26 -0.41 0.62 0.00 5.04 -1.26 -5.00 117.35 113.09 2qts s TYR 425 Ca 0.07 -0.45 0.08 0.00 -2.44 0.00 0.00 57.07 54.34 2qts s TYR 425 Cb 0.08 -0.43 0.11 0.00 0.35 0.00 0.00 41.96 42.07 2qts s TYR 425 CO 0.61 -0.95 0.86 -1.21 -1.34 0.00 0.00 175.55 173.52 2qts s GLU 426 N 1.95 2.12 0.19 4.97 2.02 -1.26 -4.91 118.70 123.77 2qts s GLU 426 Ca 0.13 -1.63 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 2qts s GLU 426 Cb -0.15 -2.58 0.18 0.00 0.10 0.00 0.00 34.13 31.68 2qts s GLU 426 CO -0.19 -1.05 1.68 0.28 0.02 0.00 0.00 175.26 176.00 2qts h VAL 427 N -0.00 0.61 -0.82 2.63 2.07 -2.01 -1.28 116.25 117.44 2qts h VAL 427 Ca -0.29 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.35 2qts h VAL 427 Cb 1.29 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 2qts h VAL 427 CO 0.40 0.02 0.38 0.00 0.02 0.00 0.00 177.57 178.38 2qts h ALA 428 N 1.44 1.23 -0.26 1.67 0.00 -1.99 0.43 119.26 121.77 2qts h ALA 428 Ca 0.25 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 2qts h ALA 428 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qts h ALA 428 CO -0.42 -0.19 -0.38 0.78 0.00 0.00 0.00 179.25 179.04 2qts h GLY 429 N 0.51 0.66 0.92 0.00 0.00 -1.65 -1.59 103.07 101.92 2qts h GLY 429 Ca 0.46 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2qts h GLY 429 CO -0.41 0.58 -0.20 -2.00 0.00 0.00 0.00 176.54 174.50 2qts h LEU 430 N 0.50 -0.48 -0.93 3.11 5.85 -0.08 -2.18 115.31 121.11 2qts h LEU 430 Ca 0.05 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2qts h LEU 430 Cb 0.89 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2qts h LEU 430 CO 0.08 -0.28 0.60 -0.07 -0.34 0.00 0.00 178.44 178.43 2qts h LEU 431 N -0.66 1.00 -2.06 2.25 4.07 -1.08 -0.21 115.31 118.62 2qts h LEU 431 Ca -0.06 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 57.97 2qts h LEU 431 Cb 0.49 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2qts h LEU 431 CO 0.10 0.69 0.19 1.23 -1.08 0.00 0.00 178.44 179.57 2qts h GLY 432 N 1.17 0.00 0.88 0.83 0.00 -1.04 1.19 103.07 106.09 2qts h GLY 432 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2qts h GLY 432 CO -0.12 0.00 -0.67 1.22 0.00 0.00 0.00 176.54 176.97 2qts n ASP 433 N -4.31 0.60 -0.08 0.19 8.00 -0.19 -4.33 116.55 116.43 2qts n ASP 433 Ca 0.03 -0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.21 2qts n ASP 433 Cb 0.35 0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 41.76 2qts n ASP 433 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qts n ILE 434 N -1.72 0.96 -0.38 0.53 5.41 0.24 -4.60 119.36 119.80 2qts n ILE 434 Ca 0.04 -0.43 0.38 0.00 1.00 0.00 0.00 62.75 63.75 2qts n ILE 434 Cb 0.38 -0.97 0.76 0.00 -0.71 0.00 0.00 39.64 39.10 2qts n ILE 434 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2qts h GLY 435 N 1.68 0.00 0.34 7.39 0.00 0.11 0.06 103.07 112.65 2qts h GLY 435 Ca -0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2qts h GLY 435 CO -0.04 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 175.01 2qts h GLY 436 N 0.00 -0.47 1.01 4.60 0.00 -1.80 -2.23 103.07 104.18 2qts h GLY 436 Ca 0.62 0.17 0.01 0.00 0.00 0.00 0.00 47.33 48.13 2qts h GLY 436 CO -0.01 -0.17 0.64 -1.61 0.00 0.00 0.00 176.54 175.40 2qts h GLN 437 N -0.96 1.29 0.00 4.80 5.75 -1.73 -1.19 115.11 123.07 2qts h GLN 437 Ca -0.05 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 2qts h GLN 437 Cb 0.35 -0.29 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 2qts h GLN 437 CO 0.08 0.86 -0.15 1.98 -2.65 0.00 0.00 178.83 178.94 2qts h MET 438 N 1.33 0.00 -0.21 1.69 4.05 -1.11 -1.85 114.93 118.83 2qts h MET 438 Ca 0.36 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.64 2qts h MET 438 Cb -0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 2qts h MET 438 CO -0.08 0.15 -0.39 0.78 0.23 0.00 0.00 176.91 177.60 2qts h GLY 439 N 0.77 0.69 1.53 1.39 0.00 -0.57 -2.49 103.07 104.39 2qts h GLY 439 Ca -0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 2qts h GLY 439 CO 0.02 0.73 -0.07 1.41 0.00 0.00 0.00 176.54 178.63 2qts h LEU 440 N 0.32 0.55 -0.47 3.11 4.07 -1.11 -1.90 115.31 119.89 2qts h LEU 440 Ca 0.01 -0.13 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 2qts h LEU 440 Cb 0.99 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 2qts h LEU 440 CO 0.09 0.67 0.03 0.15 -1.08 0.00 0.00 178.44 178.30 2qts h PHE 441 N 0.54 0.87 -0.64 1.13 3.04 -1.29 -1.43 116.94 119.15 2qts h PHE 441 Ca 0.10 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 61.83 2qts h PHE 441 Cb 0.45 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 2qts h PHE 441 CO 0.02 0.82 0.08 0.82 -2.02 0.00 0.00 178.31 178.03 2qts h ILE 442 N 0.66 1.26 -0.60 1.41 2.04 -1.21 0.18 117.51 121.25 2qts h ILE 442 Ca 0.14 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2qts h ILE 442 Cb 0.46 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2qts h ILE 442 CO 0.02 0.39 0.35 1.23 0.00 0.00 0.00 178.15 180.14 2qts h GLY 443 N 0.99 0.88 1.90 5.37 0.00 -1.14 0.10 103.07 111.18 2qts h GLY 443 Ca 0.19 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 2qts h GLY 443 CO 0.02 0.35 -0.79 0.00 0.00 0.00 0.00 176.54 176.12 2qts h ALA 444 N 1.56 0.67 0.27 3.60 0.00 -0.68 -2.00 119.26 122.67 2qts h ALA 444 Ca 0.22 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qts h ALA 444 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qts h ALA 444 CO -0.04 0.92 -0.13 0.77 0.00 0.00 0.00 179.25 180.78 2qts h SER 445 N 0.05 -0.30 -0.73 0.00 0.02 0.55 0.21 113.55 113.35 2qts h SER 445 Ca -0.02 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2qts h SER 445 Cb 1.39 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 2qts h SER 445 CO 0.11 0.09 0.48 0.40 -1.14 0.00 0.00 176.83 176.77 2qts h ILE 446 N -0.75 1.08 -0.54 3.27 1.08 -0.91 0.46 117.51 121.20 2qts h ILE 446 Ca -0.04 -0.29 -0.11 0.00 -0.39 0.00 0.00 64.86 64.04 2qts h ILE 446 Cb 0.50 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2qts h ILE 446 CO 0.06 0.15 -0.08 0.25 -0.69 0.00 0.00 178.15 177.84 2qts h LEU 447 N 0.84 1.00 -0.15 1.44 7.12 -1.23 -1.76 115.31 122.57 2qts h LEU 447 Ca 0.30 -0.34 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 2qts h LEU 447 Cb 0.14 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 2qts h LEU 447 CO -0.09 1.11 -0.29 0.74 -0.13 0.00 0.00 178.44 179.77 2qts h THR 448 N 0.88 1.36 0.34 1.05 2.02 0.92 -2.74 112.91 116.74 2qts h THR 448 Ca 0.14 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 2qts h THR 448 Cb 0.65 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2qts h THR 448 CO 0.04 0.46 -0.27 0.58 0.37 0.00 0.00 175.52 176.71 2qts h VAL 449 N 0.08 0.44 -0.11 3.16 2.07 -0.12 0.18 116.25 121.95 2qts h VAL 449 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2qts h VAL 449 Cb 0.88 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2qts h VAL 449 CO 0.07 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.28 2qts h LEU 450 N -0.61 -0.95 -2.02 2.57 3.38 -1.40 0.74 115.31 117.02 2qts h LEU 450 Ca -0.03 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qts h LEU 450 Cb 0.53 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2qts h LEU 450 CO -0.01 -0.35 -0.03 -0.33 0.09 0.00 0.00 178.44 177.81 2qts h GLU 451 N -0.39 0.00 -0.00 1.13 5.08 -1.37 0.11 114.58 119.14 2qts h GLU 451 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 2qts h GLU 451 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2qts h GLU 451 CO -0.33 0.03 -0.82 1.25 -1.00 0.00 0.00 179.01 178.14 2qts h LEU 452 N 0.00 0.09 -1.70 1.33 5.85 0.15 -2.48 115.31 118.54 2qts h LEU 452 Ca -0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2qts h LEU 452 Cb 0.06 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2qts h LEU 452 CO 0.00 0.87 0.01 0.49 -0.34 0.00 0.00 178.44 179.47 2qts n PHE 453 N -3.62 0.55 0.00 1.25 3.01 0.24 -3.73 117.46 115.16 2qts n PHE 453 Ca -0.02 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.23 2qts n PHE 453 Cb 0.78 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 2qts n PHE 453 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2qts n ASP 454 N 0.16 0.94 0.26 4.37 8.00 -1.04 -4.73 116.55 124.51 2qts n ASP 454 Ca 0.08 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.76 2qts n ASP 454 Cb 0.51 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 42.50 2qts n ASP 454 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qts h TYR 455 N 0.00 0.00 -0.01 1.24 5.03 -1.53 -3.52 116.97 118.18 2qts h TYR 455 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2qts h TYR 455 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2qts h TYR 455 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 178.16 176.84