#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdx h PRO 65 N 0.00 0.10 -5.35 0.00 0.11 -1.89 -3.42 132.00 121.54 1jdx h PRO 65 Ca 0.00 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.49 1jdx h PRO 65 Cb 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 30.98 1jdx h PRO 65 CO 0.00 0.27 -0.44 0.08 -0.21 0.00 0.00 178.00 177.70 1jdx s VAL 66 N -4.67 5.38 -0.30 3.15 1.01 -1.26 -4.35 120.40 119.36 1jdx s VAL 66 Ca -0.05 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1jdx s VAL 66 Cb 0.16 -3.52 0.18 0.00 0.00 0.00 0.00 36.38 33.20 1jdx s VAL 66 CO 0.71 0.43 1.17 -0.55 0.00 0.00 0.00 175.10 176.87 1jdx s SER 67 N 0.34 -0.09 -0.16 3.32 0.15 -0.02 -4.39 113.70 112.84 1jdx s SER 67 Ca 0.11 0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.71 1jdx s SER 67 Cb -0.12 1.06 0.07 0.00 -1.71 0.00 0.00 66.02 65.33 1jdx s SER 67 CO 0.00 -0.02 0.35 -0.55 1.20 0.00 0.00 173.24 174.23 1jdx s SER 68 N 2.99 -0.08 0.00 5.45 0.15 -0.76 -0.89 113.70 120.56 1jdx s SER 68 Ca 0.29 0.81 0.13 0.00 0.70 0.00 0.00 55.95 57.88 1jdx s SER 68 Cb -0.00 0.98 -0.14 0.00 -1.71 0.00 0.00 66.02 65.15 1jdx s SER 68 CO -0.21 -0.22 0.56 -1.22 1.20 0.00 0.00 173.24 173.35 1jdx n TYR 69 N 5.15 0.00 -3.32 3.44 4.01 -1.26 -1.44 117.16 123.74 1jdx n TYR 69 Ca -0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.60 1jdx n TYR 69 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.54 1jdx n TYR 69 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1jdx n ASN 70 N -1.25 -0.84 -0.74 7.72 0.23 -1.26 -0.83 115.26 118.29 1jdx n ASN 70 Ca 0.03 -1.60 0.12 0.00 -0.53 0.00 0.00 54.58 52.60 1jdx n ASN 70 Cb 0.21 1.41 0.32 0.00 -2.08 0.00 0.00 39.78 39.64 1jdx n ASN 70 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jdx n GLU 71 N -0.20 2.00 0.00 -3.83 -0.58 -1.22 -4.63 120.64 112.18 1jdx n GLU 71 Ca -0.03 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 1jdx n GLU 71 Cb 0.22 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1jdx n GLU 71 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1jdx n TRP 72 N 0.75 0.00 -1.13 -0.32 2.14 -1.26 -4.27 117.44 113.35 1jdx n TRP 72 Ca 0.17 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.40 1jdx n TRP 72 Cb 0.46 0.00 0.11 0.00 -0.81 0.00 0.00 31.31 31.07 1jdx n TRP 72 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1jdx n ASP 73 N -0.97 -0.02 -4.38 -0.67 8.00 -1.26 -2.64 116.55 114.62 1jdx n ASP 73 Ca 0.00 0.56 -0.54 0.00 0.71 0.00 0.00 54.79 55.52 1jdx n ASP 73 Cb 0.00 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 39.63 1jdx n ASP 73 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1jdx n PRO 74 N -2.28 0.68 -2.05 -0.24 -0.02 -1.25 -4.49 135.00 125.36 1jdx n PRO 74 Ca 0.12 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1jdx n PRO 74 Cb 0.51 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1jdx n PRO 74 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jdx s LEU 75 N 6.91 4.38 0.00 2.45 2.96 -0.05 0.06 118.68 135.38 1jdx s LEU 75 Ca 1.14 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 57.56 1jdx s LEU 75 Cb -1.08 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.01 1jdx s LEU 75 CO 0.55 -0.72 0.00 -0.62 -1.32 0.00 0.00 176.35 174.24 1jdx n GLU 76 N 3.53 3.48 -3.79 1.98 1.02 0.47 -4.72 120.64 122.60 1jdx n GLU 76 Ca 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1jdx n GLU 76 Cb 0.40 -0.94 -0.11 0.00 -0.02 0.00 0.00 31.44 30.77 1jdx n GLU 76 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1jdx s GLU 77 N -1.89 0.36 0.04 3.49 2.12 -0.89 -1.37 118.70 120.56 1jdx s GLU 77 Ca 0.00 0.24 -0.12 0.00 0.36 0.00 0.00 54.97 55.45 1jdx s GLU 77 Cb 0.00 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1jdx s GLU 77 CO 0.00 -0.06 0.27 0.54 -0.54 0.00 0.00 175.26 175.47 1jdx s VAL 78 N -0.15 0.09 -0.10 3.70 0.11 -0.27 -1.52 120.40 122.25 1jdx s VAL 78 Ca -0.03 -0.72 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 1jdx s VAL 78 Cb -0.03 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1jdx s VAL 78 CO 0.01 -0.40 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.70 1jdx s ILE 79 N -2.40 3.83 -0.08 7.04 1.01 -0.06 -1.22 121.20 129.32 1jdx s ILE 79 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1jdx s ILE 79 Cb -0.02 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1jdx s ILE 79 CO -0.03 0.56 -0.22 -0.69 0.00 0.00 0.00 174.94 174.56 1jdx s VAL 80 N -0.35 1.88 1.41 2.92 1.01 -0.25 -1.16 120.40 125.86 1jdx s VAL 80 Ca 0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1jdx s VAL 80 Cb -0.12 -1.63 0.36 0.00 0.00 0.00 0.00 36.38 34.99 1jdx s VAL 80 CO 0.02 0.52 0.95 -0.83 0.00 0.00 0.00 175.10 175.77 1jdx s GLY 81 N 0.29 1.44 0.02 4.51 0.00 -0.22 -4.02 107.32 109.33 1jdx s GLY 81 Ca -0.15 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.72 1jdx s GLY 81 CO 0.07 0.12 -0.15 0.50 0.00 0.00 0.00 173.10 173.64 1jdx s ARG 82 N -5.19 1.04 0.00 2.90 0.52 -0.55 -4.88 118.95 112.80 1jdx s ARG 82 Ca 0.69 -0.69 0.22 0.00 -0.52 0.00 0.00 55.73 55.43 1jdx s ARG 82 Cb -0.11 -1.04 -0.07 0.00 0.52 0.00 0.00 34.95 34.24 1jdx s ARG 82 CO 0.57 0.27 0.97 0.00 0.02 0.00 0.00 175.30 177.13 1jdx n ALA 83 N 2.16 4.21 -1.68 2.13 0.00 -1.26 -2.52 120.51 123.54 1jdx n ALA 83 Ca -0.17 -0.52 -0.45 0.00 0.00 0.00 0.00 53.44 52.30 1jdx n ALA 83 Cb 0.55 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1jdx n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jdx n GLU 84 N -1.63 2.27 -1.66 0.00 4.71 -1.26 -2.91 120.64 120.16 1jdx n GLU 84 Ca 0.03 0.81 -0.21 0.00 -0.01 0.00 0.00 57.16 57.79 1jdx n GLU 84 Cb 0.37 -2.57 -0.08 0.00 -1.01 0.00 0.00 31.44 28.14 1jdx n GLU 84 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jdx n ASN 85 N 3.09 -5.53 -4.76 1.62 3.02 -1.26 -4.78 115.26 106.66 1jdx n ASN 85 Ca 0.15 0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 54.77 1jdx n ASN 85 Cb 0.31 -4.86 -0.01 0.00 -0.61 0.00 0.00 39.78 34.61 1jdx n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdx n ALA 86 N 1.16 2.53 -2.36 5.41 0.00 -1.15 -3.52 120.51 122.58 1jdx n ALA 86 Ca -0.21 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1jdx n ALA 86 Cb 0.69 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 1jdx n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdx s VAL 88 N -0.77 3.36 0.48 0.00 1.01 0.39 -4.51 120.40 120.35 1jdx s VAL 88 Ca 0.11 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 1jdx s VAL 88 Cb -0.10 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1jdx s VAL 88 CO 0.02 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.08 1jdx s PRO 89 N 2.05 3.74 0.42 2.72 0.04 -1.26 -0.78 135.00 141.93 1jdx s PRO 89 Ca 0.67 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 1jdx s PRO 89 Cb -0.36 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 1jdx s PRO 89 CO 0.29 -0.52 1.19 -2.30 0.04 0.00 0.00 177.00 175.70 1jdx n PRO 90 N -0.75 1.72 -2.04 0.56 -0.02 -1.26 -4.49 135.00 128.72 1jdx n PRO 90 Ca 0.09 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1jdx n PRO 90 Cb 0.50 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1jdx n PRO 90 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jdx n PHE 91 N -0.32 3.82 -3.08 6.00 7.35 -1.26 -4.81 117.46 125.15 1jdx n PHE 91 Ca 0.08 -2.75 -0.18 0.00 -0.76 0.00 0.00 57.45 53.83 1jdx n PHE 91 Cb 0.39 -2.53 0.01 0.00 0.35 0.00 0.00 39.48 37.70 1jdx n PHE 91 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jdx s THR 92 N 4.20 3.27 0.28 -2.13 -4.23 -1.26 -4.86 115.64 110.90 1jdx s THR 92 Ca 0.52 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1jdx s THR 92 Cb 0.09 -3.12 0.36 0.00 1.34 0.00 0.00 72.50 71.17 1jdx s THR 92 CO 0.01 -0.05 1.60 -0.29 -0.54 0.00 0.00 174.62 175.34 1jdx h ILE 93 N 0.62 0.17 0.00 2.99 6.09 -1.97 -0.05 117.51 125.37 1jdx h ILE 93 Ca -0.42 -0.02 -0.07 0.00 -1.37 0.00 0.00 64.86 62.98 1jdx h ILE 93 Cb 1.27 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 1jdx h ILE 93 CO 0.48 0.01 -0.32 1.05 -3.07 0.00 0.00 178.15 176.30 1jdx h GLU 94 N 0.06 0.00 0.02 2.19 9.09 -1.95 -1.25 114.58 122.74 1jdx h GLU 94 Ca 0.50 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.81 1jdx h GLU 94 Cb 0.94 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.05 1jdx h GLU 94 CO -0.81 0.32 -0.40 0.28 0.05 0.00 0.00 179.01 178.45 1jdx h VAL 95 N 0.00 1.53 -0.89 -1.06 2.07 -1.38 -3.24 116.25 113.27 1jdx h VAL 95 Ca -0.00 -2.08 0.10 0.00 0.82 0.00 0.00 66.70 65.54 1jdx h VAL 95 Cb 0.74 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 33.26 1jdx h VAL 95 CO 0.04 0.58 0.57 0.11 0.02 0.00 0.00 177.57 178.89 1jdx h LYS 96 N -0.41 0.84 0.00 1.57 1.57 -0.96 0.74 116.57 119.91 1jdx h LYS 96 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1jdx h LYS 96 Cb 1.17 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1jdx h LYS 96 CO 0.08 0.55 -0.07 0.00 -0.57 0.00 0.00 179.45 179.44 1jdx h ALA 97 N 1.56 1.62 0.00 3.86 0.00 -1.26 -2.83 119.26 122.21 1jdx h ALA 97 Ca 0.41 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1jdx h ALA 97 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1jdx h ALA 97 CO -0.18 0.08 -1.56 -1.71 0.00 0.00 0.00 179.25 175.88 1jdx n ASN 98 N -4.07 0.52 -4.72 0.00 5.15 0.17 -4.97 115.26 107.35 1jdx n ASN 98 Ca -0.03 0.22 -0.41 0.00 -0.60 0.00 0.00 54.58 53.76 1jdx n ASN 98 Cb 0.15 0.85 -0.04 0.00 -0.53 0.00 0.00 39.78 40.21 1jdx n ASN 98 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jdx s THR 99 N -3.17 4.75 0.18 -0.44 2.01 -0.70 -4.89 115.64 113.38 1jdx s THR 99 Ca -0.04 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1jdx s THR 99 Cb 0.10 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1jdx s THR 99 CO 0.83 0.24 1.20 -0.31 -0.69 0.00 0.00 174.62 175.89 1jdx s TYR 100 N 0.57 3.42 0.35 4.92 1.51 -1.26 -4.89 117.35 121.97 1jdx s TYR 100 Ca 0.48 1.41 0.19 0.00 -1.01 0.00 0.00 57.07 58.15 1jdx s TYR 100 Cb -0.21 -3.44 1.28 0.00 -0.11 0.00 0.00 41.96 39.48 1jdx s TYR 100 CO 0.27 -1.23 1.53 0.39 -1.11 0.00 0.00 175.55 175.40 1jdx n GLU 101 N 2.54 -0.06 -0.22 -0.62 4.71 -1.26 0.25 120.64 125.98 1jdx n GLU 101 Ca 0.04 1.34 0.29 0.00 -0.01 0.00 0.00 57.16 58.82 1jdx n GLU 101 Cb 0.45 -2.39 0.70 0.00 -1.01 0.00 0.00 31.44 29.18 1jdx n GLU 101 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1jdx h LYS 102 N 0.00 0.06 -0.06 3.49 3.64 -2.03 -2.24 116.57 119.44 1jdx h LYS 102 Ca 0.81 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.19 1jdx h LYS 102 Cb 2.13 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1jdx h LYS 102 CO -0.75 0.04 0.00 0.66 -2.27 0.00 0.00 179.45 177.13 1jdx n TYR 103 N -4.30 0.05 -0.24 1.91 4.01 0.14 -4.67 117.16 114.07 1jdx n TYR 103 Ca 0.21 -0.04 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 1jdx n TYR 103 Cb 0.99 -0.00 0.15 0.00 -0.31 0.00 0.00 39.34 40.17 1jdx n TYR 103 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1jdx h TRP 104 N 3.36 0.49 -0.68 -0.72 4.06 -1.44 -1.30 115.95 119.73 1jdx h TRP 104 Ca 0.00 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1jdx h TRP 104 Cb 0.73 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 1jdx h TRP 104 CO 0.03 0.10 0.34 -1.35 -3.56 0.00 0.00 178.44 174.01 1jdx h PRO 105 N 0.46 0.95 -0.05 0.49 0.11 -1.83 0.22 132.00 132.34 1jdx h PRO 105 Ca 0.37 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1jdx h PRO 105 Cb 0.49 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1jdx h PRO 105 CO -0.35 0.71 0.03 0.35 -0.21 0.00 0.00 178.00 178.54 1jdx h PHE 106 N 0.95 0.06 -0.48 0.65 3.57 -1.59 -0.13 116.94 119.97 1jdx h PHE 106 Ca 0.24 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1jdx h PHE 106 Cb 0.06 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1jdx h PHE 106 CO 0.01 0.04 -0.06 1.88 -2.23 0.00 0.00 178.31 177.96 1jdx h TYR 107 N 0.06 0.91 -0.52 0.41 -1.99 -0.89 0.41 116.97 115.37 1jdx h TYR 107 Ca 0.02 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.54 1jdx h TYR 107 Cb -0.00 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 1jdx h TYR 107 CO -0.07 0.86 0.10 1.96 -0.00 0.00 0.00 178.16 181.01 1jdx h GLN 108 N 0.77 0.81 0.00 4.88 4.20 -0.24 -1.57 115.11 123.97 1jdx h GLN 108 Ca 0.14 -0.17 -0.32 0.00 0.06 0.00 0.00 58.65 58.35 1jdx h GLN 108 Cb 0.54 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 1jdx h GLN 108 CO 0.03 0.75 -1.96 1.17 -0.67 0.00 0.00 178.83 178.15 1jdx n LYS 109 N -4.26 0.65 0.09 1.46 3.00 -0.09 -4.50 118.16 114.51 1jdx n LYS 109 Ca 0.04 0.19 0.11 0.00 -0.00 0.00 0.00 58.31 58.65 1jdx n LYS 109 Cb 0.24 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 33.56 1jdx n LYS 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1jdx n GLN 110 N -2.95 0.59 -1.55 1.64 1.13 0.14 -4.96 117.38 111.42 1jdx n GLN 110 Ca -0.23 0.08 -0.57 0.00 -1.94 0.00 0.00 57.00 54.34 1jdx n GLN 110 Cb 1.09 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 29.58 1jdx n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jdx n GLY 111 N 1.20 0.04 1.46 1.08 0.00 -0.59 -0.35 105.19 108.04 1jdx n GLY 111 Ca -0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1jdx n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdx n GLY 112 N 2.06 1.97 3.80 -0.02 0.00 0.04 -4.87 105.19 108.17 1jdx n GLY 112 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1jdx n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdx s HIS 113 N -2.33 2.80 0.62 1.61 4.02 0.53 -4.88 115.29 117.65 1jdx s HIS 113 Ca 0.00 -0.36 -0.17 0.00 1.02 0.00 0.00 55.06 55.54 1jdx s HIS 113 Cb 0.00 -1.78 -0.02 0.00 -1.02 0.00 0.00 32.58 29.76 1jdx s HIS 113 CO 0.00 0.22 1.16 0.71 1.02 0.00 0.00 174.74 177.85 1jdx s TYR 114 N -2.38 2.47 0.71 1.40 2.02 -1.26 -0.46 117.35 119.85 1jdx s TYR 114 Ca 0.40 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.50 1jdx s TYR 114 Cb -0.04 -3.35 0.03 0.00 -0.40 0.00 0.00 41.96 38.20 1jdx s TYR 114 CO 0.25 -1.97 1.14 -0.06 -1.57 0.00 0.00 175.55 173.35 1jdx s PHE 115 N -1.88 2.35 -0.43 2.71 0.08 -0.60 -4.64 117.98 115.56 1jdx s PHE 115 Ca 0.73 1.59 -0.41 0.00 0.12 0.00 0.00 56.93 58.95 1jdx s PHE 115 Cb -0.26 -3.28 -0.17 0.00 -0.57 0.00 0.00 43.02 38.75 1jdx s PHE 115 CO 0.35 -2.09 2.04 -2.30 -0.10 0.00 0.00 175.22 173.12 1jdx n PRO 116 N -2.73 0.44 -0.03 0.24 -0.02 -1.26 -4.80 135.00 126.83 1jdx n PRO 116 Ca 0.11 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 1jdx n PRO 116 Cb 0.51 -1.84 0.51 0.00 -0.02 0.00 0.00 33.50 32.67 1jdx n PRO 116 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jdx h LYS 117 N 9.25 0.36 -0.28 -0.52 1.57 -1.98 0.77 116.57 125.74 1jdx h LYS 117 Ca -0.23 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1jdx h LYS 117 Cb 1.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1jdx h LYS 117 CO 1.04 0.24 -0.13 0.38 -0.57 0.00 0.00 179.45 180.41 1jdx h ASP 118 N 0.37 0.46 -0.05 0.86 2.03 -2.00 -0.87 116.42 117.22 1jdx h ASP 118 Ca 0.23 -0.12 -0.22 0.00 -0.73 0.00 0.00 57.03 56.19 1jdx h ASP 118 Cb 0.42 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 38.81 1jdx h ASP 118 CO -0.06 0.62 -0.81 -0.74 -1.03 0.00 0.00 179.24 177.22 1jdx h HIS 119 N 0.44 0.91 -0.78 4.15 2.76 -1.30 -3.18 115.15 118.16 1jdx h HIS 119 Ca 0.08 -0.46 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1jdx h HIS 119 Cb 0.49 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1jdx h HIS 119 CO 0.02 1.29 0.46 -0.07 -1.30 0.00 0.00 177.93 178.32 1jdx h LEU 120 N 0.28 0.93 -1.11 0.26 3.38 -0.66 -2.22 115.31 116.17 1jdx h LEU 120 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jdx h LEU 120 Cb 1.47 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1jdx h LEU 120 CO 0.16 0.72 0.53 0.11 0.09 0.00 0.00 178.44 180.06 1jdx h LYS 121 N 1.07 1.13 -0.35 1.13 1.57 -1.16 0.68 116.57 120.64 1jdx h LYS 121 Ca 0.28 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1jdx h LYS 121 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1jdx h LYS 121 CO -0.05 0.77 -0.38 0.87 -0.57 0.00 0.00 179.45 180.09 1jdx h LYS 122 N 1.15 0.85 -0.49 3.15 1.57 -1.40 -2.46 116.57 118.94 1jdx h LYS 122 Ca 0.31 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1jdx h LYS 122 Cb -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1jdx h LYS 122 CO -0.06 1.08 0.10 0.00 -0.57 0.00 0.00 179.45 180.00 1jdx h ALA 123 N 0.87 0.64 -0.38 3.86 0.00 -1.00 -1.51 119.26 121.74 1jdx h ALA 123 Ca 0.06 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1jdx h ALA 123 Cb 0.95 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1jdx h ALA 123 CO 0.09 0.35 0.06 0.28 0.00 0.00 0.00 179.25 180.04 1jdx h VAL 124 N 0.67 0.79 -0.24 0.00 2.07 -0.75 -0.52 116.25 118.27 1jdx h VAL 124 Ca 0.15 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jdx h VAL 124 Cb 0.36 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1jdx h VAL 124 CO 0.01 0.03 0.13 0.00 0.02 0.00 0.00 177.57 177.76 1jdx h ALA 125 N 1.29 0.31 -0.76 1.67 0.00 -1.29 -1.53 119.26 118.96 1jdx h ALA 125 Ca 0.18 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jdx h ALA 125 Cb 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1jdx h ALA 125 CO -0.25 -0.16 0.46 0.93 0.00 0.00 0.00 179.25 180.23 1jdx h GLU 126 N 0.28 0.84 -0.01 0.00 5.08 -0.85 -2.08 114.58 117.85 1jdx h GLU 126 Ca 0.09 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1jdx h GLU 126 Cb 0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1jdx h GLU 126 CO -0.01 0.56 -0.62 0.82 -1.00 0.00 0.00 179.01 178.75 1jdx h ILE 127 N 0.87 1.44 -0.59 3.13 1.08 -0.89 -1.69 117.51 120.86 1jdx h ILE 127 Ca 0.32 -2.11 -0.10 0.00 -0.39 0.00 0.00 64.86 62.58 1jdx h ILE 127 Cb 0.11 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1jdx h ILE 127 CO -0.15 0.60 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.55 1jdx h GLU 128 N 0.02 1.06 -0.18 2.37 4.39 -0.86 -0.43 114.58 120.96 1jdx h GLU 128 Ca -0.01 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1jdx h GLU 128 Cb 1.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1jdx h GLU 128 CO 0.08 1.06 0.04 1.49 -1.16 0.00 0.00 179.01 180.52 1jdx h GLU 129 N 0.96 0.28 -0.83 2.33 4.57 -1.20 -0.59 114.58 120.11 1jdx h GLU 129 Ca 0.16 -0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.40 1jdx h GLU 129 Cb 0.60 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.06 1jdx h GLU 129 CO 0.04 0.42 0.44 1.98 -1.18 0.00 0.00 179.01 180.70 1jdx h MET 130 N 0.09 0.64 -0.66 1.92 4.05 -1.17 0.16 114.93 119.96 1jdx h MET 130 Ca 0.05 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1jdx h MET 130 Cb 0.27 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1jdx h MET 130 CO 0.00 0.42 0.15 0.00 0.23 0.00 0.00 176.91 177.72 1jdx h ASN 132 N 1.00 0.60 -0.75 0.00 -0.26 0.60 -1.55 115.58 115.21 1jdx h ASN 132 Ca 0.21 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1jdx h ASN 132 Cb 0.37 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1jdx h ASN 132 CO 0.00 0.58 0.37 0.40 -1.06 0.00 0.00 177.43 177.72 1jdx h ILE 133 N 0.59 1.24 -0.57 2.81 2.04 -0.42 -0.91 117.51 122.28 1jdx h ILE 133 Ca 0.15 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1jdx h ILE 133 Cb 0.14 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1jdx h ILE 133 CO -0.02 0.28 0.32 -0.07 0.00 0.00 0.00 178.15 178.66 1jdx h LEU 134 N 1.06 0.71 -1.02 1.44 3.38 -0.74 -0.10 115.31 120.04 1jdx h LEU 134 Ca 0.26 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1jdx h LEU 134 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1jdx h LEU 134 CO -0.03 0.60 0.19 0.11 0.09 0.00 0.00 178.44 179.40 1jdx h LYS 135 N 0.77 0.90 -0.90 1.13 1.57 -0.91 -0.56 116.57 118.58 1jdx h LYS 135 Ca 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jdx h LYS 135 Cb 0.04 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1jdx h LYS 135 CO -0.03 0.77 0.52 1.15 -0.57 0.00 0.00 179.45 181.29 1jdx h THR 136 N 0.87 1.25 0.00 -0.16 2.02 -0.40 -0.90 112.91 115.59 1jdx h THR 136 Ca 0.20 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1jdx h THR 136 Cb 0.24 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1jdx h THR 136 CO -0.01 0.27 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 1jdx n GLU 137 N -4.37 0.91 -0.90 6.66 -0.58 -0.12 -4.87 120.64 117.36 1jdx n GLU 137 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1jdx n GLU 137 Cb 0.07 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1jdx n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jdx n GLY 138 N 0.44 0.50 3.76 0.62 0.00 -0.34 -5.05 105.19 105.12 1jdx n GLY 138 Ca 0.02 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1jdx n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdx s VAL 139 N -2.00 5.27 -0.08 1.61 1.01 -0.28 -4.87 120.40 121.05 1jdx s VAL 139 Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1jdx s VAL 139 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1jdx s VAL 139 CO 0.00 0.44 0.93 -0.89 0.00 0.00 0.00 175.10 175.58 1jdx s THR 140 N 0.05 4.86 -0.13 3.92 2.01 -0.47 -3.74 115.64 122.13 1jdx s THR 140 Ca 0.18 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 64.06 1jdx s THR 140 Cb -0.14 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1jdx s THR 140 CO 0.06 0.08 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.33 1jdx s VAL 141 N 1.61 3.80 0.08 3.82 1.01 -1.26 -1.11 120.40 128.34 1jdx s VAL 141 Ca 0.46 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1jdx s VAL 141 Cb -0.19 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1jdx s VAL 141 CO 0.20 0.52 -0.21 -0.13 0.00 0.00 0.00 175.10 175.48 1jdx s ARG 142 N 0.09 1.81 0.04 2.72 1.81 -0.35 -4.99 118.95 120.08 1jdx s ARG 142 Ca -0.01 -1.13 0.07 0.00 -1.72 0.00 0.00 55.73 52.94 1jdx s ARG 142 Cb -0.14 -2.07 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 1jdx s ARG 142 CO 0.03 0.50 -0.20 1.03 -0.68 0.00 0.00 175.30 175.98 1jdx s ARG 143 N -1.72 1.35 0.94 3.54 1.81 -1.26 -1.09 118.95 122.52 1jdx s ARG 143 Ca 0.15 -0.92 -0.12 0.00 -1.72 0.00 0.00 55.73 53.12 1jdx s ARG 143 Cb -0.10 -1.45 0.16 0.00 -0.45 0.00 0.00 34.95 33.11 1jdx s ARG 143 CO 0.06 0.37 1.09 -1.25 -0.68 0.00 0.00 175.30 174.89 1jdx s PRO 144 N -1.16 0.88 0.41 3.54 0.04 -1.26 -4.94 135.00 132.51 1jdx s PRO 144 Ca 0.07 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.55 1jdx s PRO 144 Cb -0.09 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1jdx s PRO 144 CO 0.02 -2.47 1.05 -0.51 0.04 0.00 0.00 177.00 175.13 1jdx s ASP 145 N -3.44 6.71 0.18 6.66 1.01 -0.43 -4.97 116.67 122.40 1jdx s ASP 145 Ca 0.64 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.64 1jdx s ASP 145 Cb -0.18 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 1jdx s ASP 145 CO 0.57 -0.53 1.15 -2.84 0.21 0.00 0.00 175.17 173.74 1jdx s PRO 146 N -2.56 4.54 0.00 8.23 0.02 -1.26 -4.80 135.00 139.17 1jdx s PRO 146 Ca 0.59 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 1jdx s PRO 146 Cb -0.22 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1jdx s PRO 146 CO 0.27 -0.01 0.03 0.42 -0.33 0.00 0.00 177.00 177.38 1jdx s ILE 147 N -0.17 0.06 -0.48 2.83 1.01 -1.26 -5.10 121.20 118.09 1jdx s ILE 147 Ca 0.51 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 1jdx s ILE 147 Cb -0.31 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 41.96 1jdx s ILE 147 CO 0.36 -0.30 0.87 -0.62 0.00 0.00 0.00 174.94 175.26 1jdx s ASP 148 N -0.90 6.42 0.00 3.58 2.15 -1.26 -4.65 116.67 122.00 1jdx s ASP 148 Ca -0.10 -0.12 0.24 0.00 0.43 0.00 0.00 52.55 52.99 1jdx s ASP 148 Cb -0.06 -2.42 1.39 0.00 -0.30 0.00 0.00 42.92 41.53 1jdx s ASP 148 CO -0.00 -1.05 1.79 0.79 -0.17 0.00 0.00 175.17 176.53 1jdx n TRP 149 N 7.06 0.00 1.12 -5.34 7.02 -1.23 -3.36 117.44 122.70 1jdx n TRP 149 Ca 0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 1jdx n TRP 149 Cb 0.48 -0.03 0.51 0.00 -2.42 0.00 0.00 31.31 29.84 1jdx n TRP 149 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1jdx n SER 150 N -1.03 0.28 -4.72 -0.99 3.41 -1.26 -0.90 113.62 108.40 1jdx n SER 150 Ca 0.17 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1jdx n SER 150 Cb 0.09 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1jdx n SER 150 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1jdx n LEU 151 N -1.35 4.03 -4.68 1.04 0.00 -1.21 -4.73 117.00 110.10 1jdx n LEU 151 Ca 0.09 1.05 -0.40 0.00 0.00 0.00 0.00 56.01 56.75 1jdx n LEU 151 Cb 0.32 -1.58 -0.05 0.00 0.00 0.00 0.00 43.42 42.11 1jdx n LEU 151 CO 0.28 0.20 0.41 -0.75 0.00 0.00 0.00 177.39 177.53 1jdx s LYS 152 N 1.39 4.28 0.34 1.96 2.20 -1.26 -3.74 119.74 124.91 1jdx s LYS 152 Ca 0.76 0.74 0.09 0.00 -0.36 0.00 0.00 55.97 57.20 1jdx s LYS 152 Cb -0.50 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.22 1jdx s LYS 152 CO 0.33 -0.17 -0.02 1.52 -0.36 0.00 0.00 175.35 176.64 1jdx s TYR 153 N 1.65 2.50 -0.08 4.03 -0.85 0.53 -4.96 117.35 120.17 1jdx s TYR 153 Ca 0.32 -0.45 -0.03 0.00 -0.52 0.00 0.00 57.07 56.39 1jdx s TYR 153 Cb -0.16 -1.45 0.04 0.00 0.38 0.00 0.00 41.96 40.77 1jdx s TYR 153 CO 0.12 0.51 0.15 0.21 -1.52 0.00 0.00 175.55 175.03 1jdx s LYS 154 N -3.68 0.02 0.43 -3.49 2.20 -1.26 -1.37 119.74 112.58 1jdx s LYS 154 Ca 0.34 0.54 0.08 0.00 -0.36 0.00 0.00 55.97 56.57 1jdx s LYS 154 Cb 0.01 -0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 36.02 1jdx s LYS 154 CO 0.18 -0.31 0.48 0.95 -0.36 0.00 0.00 175.35 176.30 1jdx s THR 155 N 2.26 2.79 -0.31 3.43 -4.23 0.39 -4.99 115.64 114.99 1jdx s THR 155 Ca 0.03 -1.17 0.21 0.00 -1.18 0.00 0.00 61.69 59.58 1jdx s THR 155 Cb -0.12 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.98 1jdx s THR 155 CO -0.05 0.00 1.65 -2.65 -0.54 0.00 0.00 174.62 173.03 1jdx n PRO 156 N -1.72 0.15 -0.05 3.99 -0.02 -1.26 -2.96 135.00 133.13 1jdx n PRO 156 Ca 0.06 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1jdx n PRO 156 Cb 0.60 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 1jdx n PRO 156 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jdx n ASP 157 N -2.22 0.01 -3.53 2.55 8.00 -1.26 -5.07 116.55 115.03 1jdx n ASP 157 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1jdx n ASP 157 Cb 0.09 1.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1jdx n ASP 157 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jdx s PHE 158 N -3.07 -0.03 0.03 1.24 -0.12 -1.15 -4.79 117.98 110.08 1jdx s PHE 158 Ca -0.09 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.48 1jdx s PHE 158 Cb 0.11 0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 43.16 1jdx s PHE 158 CO 0.87 -0.94 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.00 1jdx s GLU 159 N -2.78 0.72 0.04 1.99 2.12 -1.26 -0.46 118.70 119.08 1jdx s GLU 159 Ca 0.16 -0.60 -0.28 0.00 0.36 0.00 0.00 54.97 54.61 1jdx s GLU 159 Cb -0.02 -0.66 0.10 0.00 0.26 0.00 0.00 34.13 33.80 1jdx s GLU 159 CO 0.04 0.16 1.09 0.45 -0.54 0.00 0.00 175.26 176.47 1jdx s SER 160 N -0.93 -0.15 0.28 -1.70 0.15 -0.47 -5.00 113.70 105.87 1jdx s SER 160 Ca -0.01 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1jdx s SER 160 Cb -0.07 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1jdx s SER 160 CO 0.01 -0.59 0.16 0.42 1.20 0.00 0.00 173.24 174.43 1jdx s THR 161 N -2.88 3.86 0.57 6.45 -4.23 -1.26 -0.35 115.64 117.80 1jdx s THR 161 Ca 0.12 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1jdx s THR 161 Cb 0.01 -3.18 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1jdx s THR 161 CO -0.02 -0.30 0.77 0.61 -0.54 0.00 0.00 174.62 175.14 1jdx n GLY 162 N -1.14 -0.72 0.00 3.99 0.00 -0.08 -4.32 105.19 102.91 1jdx n GLY 162 Ca -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1jdx n GLY 162 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jdx n LEU 163 N 0.00 0.00 0.00 0.99 7.94 -0.83 -4.47 117.00 120.62 1jdx n LEU 163 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1jdx n LEU 163 Cb 0.37 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.32 1jdx n LEU 163 CO 0.26 0.00 0.49 0.00 -1.11 0.00 0.00 177.39 177.03 1jdx n TYR 164 N -0.98 -0.50 -2.57 1.96 0.18 -1.26 -0.44 117.16 113.56 1jdx n TYR 164 Ca 0.00 -0.44 -0.12 0.00 1.88 0.00 0.00 57.90 59.22 1jdx n TYR 164 Cb 0.00 0.21 0.03 0.00 -0.38 0.00 0.00 39.34 39.20 1jdx n TYR 164 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1jdx n SER 165 N -0.72 2.68 0.08 9.48 3.41 -1.26 -4.84 113.62 122.46 1jdx n SER 165 Ca 0.01 -2.83 -0.11 0.00 -0.26 0.00 0.00 58.87 55.68 1jdx n SER 165 Cb 0.28 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 1jdx n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jdx h ALA 166 N 2.64 0.23 -3.18 7.33 0.00 -1.84 -1.45 119.26 122.98 1jdx h ALA 166 Ca 0.04 -0.89 -0.69 0.00 0.00 0.00 0.00 54.91 53.37 1jdx h ALA 166 Cb 1.24 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.60 1jdx h ALA 166 CO 0.49 1.10 -0.43 -1.64 0.00 0.00 0.00 179.25 178.78 1jdx s MET 167 N -2.70 2.39 0.45 0.00 -1.94 -1.26 -3.72 119.30 112.52 1jdx s MET 167 Ca -0.02 -2.38 0.14 0.00 -1.71 0.00 0.00 55.69 51.72 1jdx s MET 167 Cb 0.09 -3.66 1.02 0.00 2.01 0.00 0.00 34.83 34.28 1jdx s MET 167 CO 0.85 -1.15 2.01 -1.35 -0.01 0.00 0.00 175.02 175.38 1jdx h PRO 168 N 7.21 0.04 0.00 2.03 0.11 -1.75 -1.75 132.00 137.88 1jdx h PRO 168 Ca -0.04 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1jdx h PRO 168 Cb 0.97 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jdx h PRO 168 CO 0.71 0.18 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.48 1jdx h ARG 169 N 0.04 0.00 0.00 1.05 9.65 -1.33 -0.53 114.38 123.25 1jdx h ARG 169 Ca 0.01 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1jdx h ARG 169 Cb 0.26 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1jdx h ARG 169 CO 0.02 0.10 -0.51 -0.44 2.80 0.00 0.00 179.97 181.93 1jdx h ASP 170 N 0.00 0.00 0.00 -3.80 5.19 -1.55 -2.55 116.42 113.71 1jdx h ASP 170 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1jdx h ASP 170 Cb 0.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1jdx h ASP 170 CO 0.01 0.51 -1.09 0.00 -3.12 0.00 0.00 179.24 175.56 1jdx n ILE 171 N -3.82 0.01 -5.23 0.35 3.06 -1.05 -0.72 119.36 111.97 1jdx n ILE 171 Ca -0.01 -0.04 -0.30 0.00 -2.50 0.00 0.00 62.75 59.89 1jdx n ILE 171 Cb 0.54 0.31 -0.16 0.00 0.54 0.00 0.00 39.64 40.88 1jdx n ILE 171 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1jdx s LEU 172 N -3.23 2.05 -0.01 9.51 1.43 -0.23 0.18 118.68 128.37 1jdx s LEU 172 Ca -0.01 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1jdx s LEU 172 Cb 0.01 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1jdx s LEU 172 CO 0.07 0.29 -0.00 -0.51 0.23 0.00 0.00 176.35 176.43 1jdx s ILE 173 N -0.47 0.06 -0.21 -0.59 2.07 -0.79 -4.52 121.20 116.75 1jdx s ILE 173 Ca 0.06 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1jdx s ILE 173 Cb -0.10 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 1jdx s ILE 173 CO 0.00 0.04 0.01 -0.69 -1.91 0.00 0.00 174.94 172.39 1jdx s VAL 174 N 0.25 3.97 -0.31 4.00 1.01 -1.26 -1.13 120.40 126.94 1jdx s VAL 174 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1jdx s VAL 174 Cb -0.04 -2.81 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1jdx s VAL 174 CO -0.01 0.41 0.03 -0.69 0.00 0.00 0.00 175.10 174.85 1jdx s VAL 175 N 1.13 1.71 0.00 2.92 1.01 -0.43 -4.76 120.40 121.98 1jdx s VAL 175 Ca 0.03 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1jdx s VAL 175 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1jdx s VAL 175 CO 0.02 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1jdx n GLY 176 N 4.52 2.40 1.54 4.51 0.00 -0.52 -1.98 105.19 115.66 1jdx n GLY 176 Ca -0.02 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1jdx n GLY 176 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jdx n ASN 177 N 7.78 4.56 -4.25 1.61 5.03 -1.26 -1.84 115.26 126.89 1jdx n ASN 177 Ca 0.00 -2.42 -0.32 0.00 0.87 0.00 0.00 54.58 52.70 1jdx n ASN 177 Cb 0.00 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.03 1jdx n ASN 177 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jdx s GLU 178 N -1.84 3.15 -0.21 3.52 2.12 -0.84 -1.09 118.70 123.51 1jdx s GLU 178 Ca 0.49 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.92 1jdx s GLU 178 Cb 0.31 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 1jdx s GLU 178 CO 0.23 0.13 0.10 -1.50 -0.54 0.00 0.00 175.26 173.68 1jdx s ILE 179 N 0.50 4.88 -0.15 -3.70 2.07 -0.22 -1.32 121.20 123.26 1jdx s ILE 179 Ca -0.13 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1jdx s ILE 179 Cb -0.17 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.17 1jdx s ILE 179 CO 0.05 0.40 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.72 1jdx s ILE 180 N 0.85 2.98 -0.26 2.00 1.01 -0.28 -1.11 121.20 126.39 1jdx s ILE 180 Ca 0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1jdx s ILE 180 Cb -0.13 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1jdx s ILE 180 CO 0.03 0.51 0.39 -1.61 0.00 0.00 0.00 174.94 174.26 1jdx s GLU 181 N 0.60 4.05 0.69 2.79 2.02 -0.08 -1.88 118.70 126.89 1jdx s GLU 181 Ca -0.08 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.87 1jdx s GLU 181 Cb -0.16 -3.63 0.02 0.00 0.10 0.00 0.00 34.13 30.46 1jdx s GLU 181 CO 0.03 -0.24 1.14 0.00 0.02 0.00 0.00 175.26 176.20 1jdx s ALA 182 N 1.96 2.34 0.17 5.21 0.00 0.13 -1.93 121.76 129.64 1jdx s ALA 182 Ca 0.16 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1jdx s ALA 182 Cb -0.16 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1jdx s ALA 182 CO 0.09 -1.49 1.38 -1.35 0.00 0.00 0.00 175.76 174.39 1jdx h PRO 183 N -0.15 0.15 0.00 0.00 0.11 -1.80 -3.46 132.00 126.85 1jdx h PRO 183 Ca -0.47 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1jdx h PRO 183 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jdx h PRO 183 CO 0.52 0.93 0.00 -1.33 -0.21 0.00 0.00 178.00 177.91 1jdx n MET 184 N -3.63 0.00 0.00 1.05 2.81 -0.37 -4.62 117.12 112.37 1jdx n MET 184 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1jdx n MET 184 Cb 0.81 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.32 1jdx n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jdx n ALA 185 N -1.81 0.29 -2.71 3.04 0.00 -1.26 -3.72 120.51 114.34 1jdx n ALA 185 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1jdx n ALA 185 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1jdx n ALA 185 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jdx s TRP 186 N -0.16 3.54 0.46 0.00 0.52 -1.26 -4.98 118.94 117.06 1jdx s TRP 186 Ca 0.00 0.66 0.12 0.00 0.02 0.00 0.00 56.10 56.90 1jdx s TRP 186 Cb 0.00 -2.24 1.05 0.00 -1.15 0.00 0.00 33.47 31.12 1jdx s TRP 186 CO 0.00 0.43 2.07 0.00 0.02 0.00 0.00 176.95 179.47 1jdx h ARG 187 N 5.92 0.19 0.00 4.98 3.08 -1.96 -0.38 114.38 126.20 1jdx h ARG 187 Ca -0.46 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1jdx h ARG 187 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1jdx h ARG 187 CO 0.69 0.18 0.00 -1.13 -1.07 0.00 0.00 179.97 178.64 1jdx n SER 188 N -4.46 0.00 -0.03 7.04 3.41 -1.26 -3.13 113.62 115.19 1jdx n SER 188 Ca -0.01 -0.71 0.04 0.00 -0.26 0.00 0.00 58.87 57.93 1jdx n SER 188 Cb 0.13 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1jdx n SER 188 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdx n ARG 189 N -1.05 2.21 -0.19 4.33 1.74 -0.16 -1.97 116.66 121.56 1jdx n ARG 189 Ca 0.19 -1.90 -0.05 0.00 -0.77 0.00 0.00 57.85 55.32 1jdx n ARG 189 Cb 0.11 -1.18 0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1jdx n ARG 189 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1jdx h PHE 190 N 0.00 0.63 -0.67 -1.55 3.04 -1.48 -2.68 116.94 114.22 1jdx h PHE 190 Ca 0.00 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.77 1jdx h PHE 190 Cb 0.72 -0.20 -0.12 0.00 2.56 0.00 0.00 35.95 38.91 1jdx h PHE 190 CO 0.00 0.35 0.22 1.19 -2.02 0.00 0.00 178.31 178.06 1jdx n PHE 191 N -4.77 2.22 0.22 0.41 3.72 -1.26 -4.55 117.46 113.45 1jdx n PHE 191 Ca 0.05 -1.21 0.07 0.00 -0.05 0.00 0.00 57.45 56.31 1jdx n PHE 191 Cb 0.09 -0.64 0.53 0.00 -0.94 0.00 0.00 39.48 38.51 1jdx n PHE 191 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1jdx h GLU 192 N 2.47 0.00 0.00 -1.08 4.81 -1.79 -2.59 114.58 116.40 1jdx h GLU 192 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1jdx h GLU 192 Cb 2.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.59 1jdx h GLU 192 CO 0.67 0.23 -0.01 0.10 -0.73 0.00 0.00 179.01 179.27 1jdx h TYR 193 N 0.00 0.00 -0.22 0.92 -0.00 -1.82 -2.84 116.97 113.01 1jdx h TYR 193 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.77 1jdx h TYR 193 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.19 1jdx h TYR 193 CO 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 178.16 178.32 1jdx h ARG 194 N 0.00 0.12 0.00 0.10 3.08 -1.83 -2.21 114.38 113.63 1jdx h ARG 194 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1jdx h ARG 194 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1jdx h ARG 194 CO 0.00 0.08 -0.28 0.00 -1.07 0.00 0.00 179.97 178.71 1jdx h ALA 195 N 1.88 1.07 -0.02 0.04 0.00 -1.74 -3.26 119.26 117.24 1jdx h ALA 195 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jdx h ALA 195 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jdx h ALA 195 CO -0.01 0.34 -0.33 0.66 0.00 0.00 0.00 179.25 179.91 1jdx n TYR 196 N -3.53 0.00 -0.04 0.00 4.02 -0.84 -1.31 117.16 115.45 1jdx n TYR 196 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1jdx n TYR 196 Cb 0.43 -0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.07 1jdx n TYR 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jdx h ARG 197 N 3.12 0.62 -0.56 -0.72 2.47 -1.57 -1.94 114.38 115.79 1jdx h ARG 197 Ca 0.00 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1jdx h ARG 197 Cb 0.83 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.01 1jdx h ARG 197 CO 0.00 0.52 0.28 0.77 0.56 0.00 0.00 179.97 182.10 1jdx h SER 198 N 0.62 0.72 0.11 7.04 0.02 -1.84 -0.23 113.55 119.99 1jdx h SER 198 Ca 0.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1jdx h SER 198 Cb 0.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1jdx h SER 198 CO -0.01 0.64 -0.05 0.40 -1.14 0.00 0.00 176.83 176.66 1jdx h ILE 199 N 0.76 1.04 -0.87 3.27 2.04 -1.82 -2.96 117.51 118.96 1jdx h ILE 199 Ca 0.19 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1jdx h ILE 199 Cb 0.10 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1jdx h ILE 199 CO -0.03 0.14 0.58 0.40 0.00 0.00 0.00 178.15 179.24 1jdx h ILE 200 N -0.41 1.22 -0.31 -0.67 2.04 -1.21 -1.97 117.51 116.19 1jdx h ILE 200 Ca -0.01 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1jdx h ILE 200 Cb 0.34 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1jdx h ILE 200 CO 0.02 0.22 -0.12 0.11 0.00 0.00 0.00 178.15 178.38 1jdx h LYS 201 N 1.18 0.54 -0.24 2.37 1.57 -1.06 -0.56 116.57 120.36 1jdx h LYS 201 Ca 0.32 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1jdx h LYS 201 Cb -0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1jdx h LYS 201 CO -0.07 0.65 0.06 0.22 -0.57 0.00 0.00 179.45 179.74 1jdx h ASP 202 N 0.50 0.37 -0.60 0.86 3.58 -1.21 0.18 116.42 120.10 1jdx h ASP 202 Ca 0.09 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 1jdx h ASP 202 Cb 0.51 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 1jdx h ASP 202 CO 0.03 0.51 0.15 1.88 -2.88 0.00 0.00 179.24 178.93 1jdx h TYR 203 N 0.22 1.03 0.02 0.28 0.05 -1.14 -1.76 116.97 115.66 1jdx h TYR 203 Ca 0.08 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1jdx h TYR 203 Cb 0.29 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1jdx h TYR 203 CO 0.01 0.85 -0.01 0.35 -1.05 0.00 0.00 178.16 178.31 1jdx h PHE 204 N 0.95 -0.02 -0.36 4.88 3.57 -0.73 -0.57 116.94 124.65 1jdx h PHE 204 Ca 0.20 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.80 1jdx h PHE 204 Cb 0.34 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1jdx h PHE 204 CO 0.02 0.08 0.27 0.45 -2.23 0.00 0.00 178.31 176.90 1jdx h HIS 205 N -0.12 0.00 -0.42 0.41 3.86 -0.40 -1.28 115.15 117.20 1jdx h HIS 205 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jdx h HIS 205 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1jdx h HIS 205 CO -0.05 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.28 1jdx n ARG 206 N -4.34 2.54 0.00 2.45 1.74 -0.68 -4.93 116.66 113.43 1jdx n ARG 206 Ca 0.06 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 1jdx n ARG 206 Cb 0.45 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1jdx n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdx n GLY 207 N 0.92 0.58 3.85 -0.13 0.00 -0.48 -3.55 105.19 106.38 1jdx n GLY 207 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1jdx n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdx s ALA 208 N -2.00 3.09 0.20 4.61 0.00 -0.29 -4.96 121.76 122.41 1jdx s ALA 208 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 1jdx s ALA 208 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1jdx s ALA 208 CO 0.00 -0.31 0.74 0.15 0.00 0.00 0.00 175.76 176.35 1jdx s LYS 209 N -4.27 4.38 -0.08 0.00 1.02 -0.25 -4.51 119.74 116.03 1jdx s LYS 209 Ca 0.58 0.99 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1jdx s LYS 209 Cb -0.10 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1jdx s LYS 209 CO 0.36 0.47 -0.06 -0.46 -0.92 0.00 0.00 175.35 174.73 1jdx s TRP 210 N -1.37 1.15 -0.03 3.18 -0.00 -1.26 -1.06 118.94 119.56 1jdx s TRP 210 Ca 0.40 -0.48 0.02 0.00 -0.00 0.00 0.00 56.10 56.05 1jdx s TRP 210 Cb -0.19 -1.00 0.00 0.00 -0.00 0.00 0.00 33.47 32.28 1jdx s TRP 210 CO 0.23 -0.38 -0.09 0.99 -0.00 0.00 0.00 176.95 177.70 1jdx s THR 211 N 1.47 0.78 -0.20 5.86 2.01 -0.27 -4.98 115.64 120.31 1jdx s THR 211 Ca -0.01 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1jdx s THR 211 Cb -0.13 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1jdx s THR 211 CO -0.04 0.24 -0.17 0.42 -0.69 0.00 0.00 174.62 174.38 1jdx s THR 212 N 0.17 2.17 0.73 -0.82 -4.23 -1.26 -0.90 115.64 111.51 1jdx s THR 212 Ca -0.03 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1jdx s THR 212 Cb -0.08 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1jdx s THR 212 CO 0.00 0.40 1.16 0.00 -0.54 0.00 0.00 174.62 175.64 1jdx s ALA 213 N 1.26 2.16 -0.17 3.99 0.00 -0.81 -4.87 121.76 123.32 1jdx s ALA 213 Ca 0.02 0.69 -0.35 0.00 0.00 0.00 0.00 51.96 52.32 1jdx s ALA 213 Cb -0.15 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 1jdx s ALA 213 CO -0.10 -1.79 1.94 -2.30 0.00 0.00 0.00 175.76 173.50 1jdx n PRO 214 N -2.88 1.86 -2.22 0.00 -0.02 -1.26 -4.55 135.00 125.92 1jdx n PRO 214 Ca 0.12 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1jdx n PRO 214 Cb 0.51 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1jdx n PRO 214 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jdx s LYS 215 N 4.51 4.26 0.91 -0.52 2.47 -1.26 -4.72 119.74 125.39 1jdx s LYS 215 Ca 0.97 1.95 -0.12 0.00 -1.56 0.00 0.00 55.97 57.21 1jdx s LYS 215 Cb -0.75 -3.69 0.14 0.00 -1.46 0.00 0.00 37.83 32.08 1jdx s LYS 215 CO 0.52 -0.65 1.09 -2.14 0.16 0.00 0.00 175.35 174.34 1jdx s PRO 216 N 2.91 1.12 0.09 4.03 0.02 -1.26 -4.95 135.00 136.95 1jdx s PRO 216 Ca 0.64 0.78 0.06 0.00 0.02 0.00 0.00 61.00 62.50 1jdx s PRO 216 Cb -0.30 -1.80 -0.22 0.00 0.02 0.00 0.00 34.50 32.20 1jdx s PRO 216 CO 0.25 -2.33 1.19 1.79 -0.33 0.00 0.00 177.00 177.57 1jdx h THR 217 N -1.61 1.59 -4.57 0.99 1.35 -1.94 -3.47 112.91 105.24 1jdx h THR 217 Ca -0.50 -3.29 -0.38 0.00 -0.55 0.00 0.00 66.41 61.69 1jdx h THR 217 Cb 1.29 2.81 0.08 0.00 -1.73 0.00 0.00 68.15 70.60 1jdx h THR 217 CO 0.55 0.91 -0.59 0.23 -0.25 0.00 0.00 175.52 176.38 1jdx n MET 218 N -3.34 -5.42 -1.61 4.72 2.81 -1.26 -4.79 117.12 108.23 1jdx n MET 218 Ca -0.03 0.83 -0.30 0.00 -1.81 0.00 0.00 57.70 56.39 1jdx n MET 218 Cb 0.96 -5.61 0.08 0.00 -0.71 0.00 0.00 33.22 27.95 1jdx n MET 218 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jdx s ALA 219 N -3.19 2.38 0.41 3.04 0.00 -1.26 -4.85 121.76 118.30 1jdx s ALA 219 Ca 0.36 -0.21 0.23 0.00 0.00 0.00 0.00 51.96 52.34 1jdx s ALA 219 Cb -0.16 -3.10 1.25 0.00 0.00 0.00 0.00 23.12 21.11 1jdx s ALA 219 CO 0.44 -1.60 1.70 -0.44 0.00 0.00 0.00 175.76 175.86 1jdx h ASP 220 N -0.99 0.36 0.00 0.00 3.32 -1.94 0.69 116.42 117.86 1jdx h ASP 220 Ca -0.46 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1jdx h ASP 220 Cb 1.26 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1jdx h ASP 220 CO 0.60 -0.05 0.11 -0.33 -1.72 0.00 0.00 179.24 177.84 1jdx h GLU 221 N 0.25 0.00 0.00 3.56 3.07 -2.02 0.13 114.58 119.57 1jdx h GLU 221 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1jdx h GLU 221 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1jdx h GLU 221 CO -0.38 0.00 0.00 1.25 -1.40 0.00 0.00 179.01 178.48 1jdx h LEU 222 N 0.00 0.00 -9.04 1.33 5.85 -1.19 -3.41 115.31 108.84 1jdx h LEU 222 Ca 0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 1jdx h LEU 222 Cb 0.21 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.04 1jdx h LEU 222 CO 0.00 0.00 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.04 1jdx s TYR 223 N -3.18 2.74 -1.14 1.25 2.02 0.45 -0.24 117.35 119.25 1jdx s TYR 223 Ca 0.08 -0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 1jdx s TYR 223 Cb 0.08 -1.58 0.10 0.00 -0.40 0.00 0.00 41.96 40.16 1jdx s TYR 223 CO 0.64 0.28 1.49 1.21 -1.57 0.00 0.00 175.55 177.60 1jdx s ASN 224 N -1.19 6.78 0.63 2.29 3.84 0.83 -4.83 114.94 123.29 1jdx s ASN 224 Ca 0.14 -2.28 0.29 0.00 0.21 0.00 0.00 52.86 51.23 1jdx s ASN 224 Cb -0.11 -2.50 1.57 0.00 -0.55 0.00 0.00 41.25 39.66 1jdx s ASN 224 CO 0.04 -1.12 1.93 1.56 -2.79 0.00 0.00 177.10 176.72 1jdx h GLN 225 N 8.22 0.00 -0.58 0.43 7.50 -1.87 -1.39 115.11 127.42 1jdx h GLN 225 Ca 0.31 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 59.12 1jdx h GLN 225 Cb 0.93 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 28.26 1jdx h GLN 225 CO 1.34 0.00 0.05 -0.40 -1.50 0.00 0.00 178.83 178.32 1jdx n ASP 226 N -3.31 3.55 -4.77 1.46 5.75 -1.26 -5.02 116.55 112.95 1jdx n ASP 226 Ca 0.02 -3.77 -0.38 0.00 -0.01 0.00 0.00 54.79 50.66 1jdx n ASP 226 Cb 0.49 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1jdx n ASP 226 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1jdx s TYR 227 N -3.37 2.94 -0.93 2.11 5.04 -0.53 -4.88 117.35 117.73 1jdx s TYR 227 Ca 0.50 1.51 -0.07 0.00 -2.44 0.00 0.00 57.07 56.57 1jdx s TYR 227 Cb 0.43 -3.46 -0.12 0.00 0.35 0.00 0.00 41.96 39.16 1jdx s TYR 227 CO 0.02 -1.58 2.79 -0.35 -1.34 0.00 0.00 175.55 175.08 1jdx n PRO 228 N -0.08 2.64 -0.12 4.97 -0.04 -1.26 -4.63 135.00 136.48 1jdx n PRO 228 Ca 0.05 -1.57 -0.09 0.00 -0.04 0.00 0.00 63.50 61.85 1jdx n PRO 228 Cb 0.46 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 1jdx n PRO 228 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1jdx h ILE 229 N 2.85 1.14 0.00 0.52 -0.00 -1.95 -3.24 117.51 116.84 1jdx h ILE 229 Ca 0.55 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 65.07 1jdx h ILE 229 Cb 0.56 0.67 0.00 0.00 -0.00 0.00 0.00 36.82 38.05 1jdx h ILE 229 CO 1.22 0.14 0.00 0.00 -0.00 0.00 0.00 178.15 179.51 1jdx n HIS 230 N -4.77 0.00 0.00 0.16 1.44 -1.26 -4.66 115.22 106.13 1jdx n HIS 230 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1jdx n HIS 230 Cb 0.07 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1jdx n HIS 230 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1jdx n SER 231 N -0.48 -0.02 0.00 4.39 2.88 -1.22 -5.08 113.62 114.08 1jdx n SER 231 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jdx n SER 231 Cb 0.00 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1jdx n SER 231 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1jdx n VAL 232 N 2.09 0.00 0.00 2.46 3.14 -1.26 -5.02 118.33 119.74 1jdx n VAL 232 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1jdx n VAL 232 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1jdx n VAL 232 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jdx n GLU 233 N -0.12 0.00 0.00 1.45 -0.58 -1.26 -4.62 120.64 115.51 1jdx n GLU 233 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1jdx n GLU 233 Cb 0.00 -2.32 0.15 0.00 -0.57 0.00 0.00 31.44 28.71 1jdx n GLU 233 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1jdx n ASP 234 N 0.09 0.00 0.26 1.62 5.68 -1.26 -0.41 116.55 122.52 1jdx n ASP 234 Ca 0.00 -0.85 0.08 0.00 -0.50 0.00 0.00 54.79 53.52 1jdx n ASP 234 Cb 0.00 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 40.62 1jdx n ASP 234 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1jdx h ARG 235 N 0.00 0.00 -0.94 0.11 3.08 -1.90 0.38 114.38 115.11 1jdx h ARG 235 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1jdx h ARG 235 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1jdx h ARG 235 CO 0.00 0.03 0.62 0.45 -1.07 0.00 0.00 179.97 180.00 1jdx h HIS 236 N 0.00 1.17 -0.18 3.04 3.86 -1.02 0.99 115.15 123.01 1jdx h HIS 236 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1jdx h HIS 236 Cb 0.06 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1jdx h HIS 236 CO 0.00 0.72 0.02 -0.22 0.86 0.00 0.00 177.93 179.31 1jdx h LYS 237 N 1.25 0.30 -0.45 2.45 3.64 -0.48 0.57 116.57 123.85 1jdx h LYS 237 Ca 0.35 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1jdx h LYS 237 Cb -0.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1jdx h LYS 237 CO -0.08 0.48 0.03 -0.07 -2.27 0.00 0.00 179.45 177.54 1jdx h LEU 238 N 0.07 0.75 -1.41 5.20 3.38 -1.04 -2.18 115.31 120.09 1jdx h LEU 238 Ca 0.05 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1jdx h LEU 238 Cb 0.33 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1jdx h LEU 238 CO 0.01 0.85 0.45 0.00 0.09 0.00 0.00 178.44 179.83 1jdx h ALA 239 N 0.92 1.70 -0.25 1.53 0.00 0.12 0.60 119.26 123.88 1jdx h ALA 239 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jdx h ALA 239 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jdx h ALA 239 CO 0.02 0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 1jdx h ALA 240 N 1.62 1.51 -0.17 0.00 0.00 0.75 -0.44 119.26 122.54 1jdx h ALA 240 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jdx h ALA 240 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jdx h ALA 240 CO -0.09 0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.55 1jdx n GLN 241 N -4.32 1.75 -1.61 0.00 6.02 0.17 -4.90 117.38 114.50 1jdx n GLN 241 Ca 0.01 -1.13 -0.11 0.00 -0.01 0.00 0.00 57.00 55.75 1jdx n GLN 241 Cb 0.22 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 1jdx n GLN 241 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdx n GLY 242 N 1.14 0.81 3.53 1.08 0.00 -0.17 -4.99 105.19 106.59 1jdx n GLY 242 Ca 0.16 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1jdx n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdx s LYS 243 N -3.47 3.82 0.00 1.61 1.02 0.96 -4.95 119.74 118.73 1jdx s LYS 243 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1jdx s LYS 243 Cb 0.00 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1jdx s LYS 243 CO 0.00 -0.15 0.00 1.19 -0.92 0.00 0.00 175.35 175.47 1jdx n PHE 244 N 4.88 0.00 0.22 3.18 3.01 -1.26 -3.20 117.46 124.29 1jdx n PHE 244 Ca -0.15 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.41 1jdx n PHE 244 Cb 0.52 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.44 1jdx n PHE 244 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1jdx h VAL 245 N 0.23 0.53 -2.92 -4.37 3.04 -1.88 -3.43 116.25 107.45 1jdx h VAL 245 Ca 0.00 -1.11 -0.64 0.00 -1.01 0.00 0.00 66.70 63.94 1jdx h VAL 245 Cb 0.00 1.77 -0.08 0.00 -2.01 0.00 0.00 31.29 30.97 1jdx h VAL 245 CO 0.00 0.21 -0.43 0.42 -1.01 0.00 0.00 177.57 176.77 1jdx s THR 246 N -3.63 5.40 0.19 3.17 -4.23 -1.24 -0.12 115.64 115.18 1jdx s THR 246 Ca 0.01 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1jdx s THR 246 Cb 0.10 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.50 1jdx s THR 246 CO 0.64 0.54 0.26 0.35 -0.54 0.00 0.00 174.62 175.87 1jdx n THR 247 N 2.52 0.00 -1.17 3.99 -2.24 0.66 -4.89 114.28 113.15 1jdx n THR 247 Ca -0.17 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1jdx n THR 247 Cb 0.54 -1.53 0.25 0.00 -2.10 0.00 0.00 70.33 67.49 1jdx n THR 247 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jdx n GLU 248 N -1.52 2.90 -0.33 -0.78 -0.58 -1.26 -4.67 120.64 114.40 1jdx n GLU 248 Ca 0.04 -3.07 0.02 0.00 -0.42 0.00 0.00 57.16 53.73 1jdx n GLU 248 Cb 0.13 -2.09 0.16 0.00 -0.57 0.00 0.00 31.44 29.08 1jdx n GLU 248 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1jdx h PHE 249 N 1.83 1.04 -3.15 -0.32 3.57 -1.88 -3.45 116.94 114.57 1jdx h PHE 249 Ca 0.32 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1jdx h PHE 249 Cb 2.23 -0.34 -0.10 0.00 2.79 0.00 0.00 35.95 40.53 1jdx h PHE 249 CO 1.22 0.51 0.12 -1.83 -2.23 0.00 0.00 178.31 176.10 1jdx s GLU 250 N -6.05 1.37 0.28 1.11 -1.05 -1.26 -5.05 118.70 108.04 1jdx s GLU 250 Ca -0.12 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 1jdx s GLU 250 Cb 0.19 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.34 1jdx s GLU 250 CO 0.80 -0.59 1.33 -2.14 0.95 0.00 0.00 175.26 175.61 1jdx s PRO 251 N -3.82 4.35 -0.03 -4.83 0.02 -1.26 -4.78 135.00 124.65 1jdx s PRO 251 Ca 0.06 2.18 -0.21 0.00 0.02 0.00 0.00 61.00 63.05 1jdx s PRO 251 Cb -0.01 -3.11 0.04 0.00 0.02 0.00 0.00 34.50 31.43 1jdx s PRO 251 CO -0.06 -0.25 0.46 0.00 -0.33 0.00 0.00 177.00 176.82 1jdx s PHE 253 N -1.30 -0.08 -0.10 0.00 -0.12 -1.12 -2.50 117.98 112.77 1jdx s PHE 253 Ca -0.12 0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 1jdx s PHE 253 Cb -0.03 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1jdx s PHE 253 CO 0.06 -0.09 0.01 -0.51 -0.05 0.00 0.00 175.22 174.64 1jdx s ASP 254 N -1.56 5.30 0.54 1.98 1.11 -1.25 -1.23 116.67 121.55 1jdx s ASP 254 Ca 0.09 0.15 0.25 0.00 0.18 0.00 0.00 52.55 53.22 1jdx s ASP 254 Cb -0.01 -1.55 1.54 0.00 1.07 0.00 0.00 42.92 43.97 1jdx s ASP 254 CO -0.05 0.36 2.15 0.00 1.18 0.00 0.00 175.17 178.81 1jdx h ALA 255 N 5.29 1.53 0.00 5.23 0.00 -1.12 -2.65 119.26 127.55 1jdx h ALA 255 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jdx h ALA 255 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jdx h ALA 255 CO 0.56 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1jdx n ALA 256 N -2.36 1.84 1.31 0.00 0.00 -0.96 -1.50 120.51 118.85 1jdx n ALA 256 Ca -0.03 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1jdx n ALA 256 Cb 0.15 -1.20 0.43 0.00 0.00 0.00 0.00 19.45 18.83 1jdx n ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jdx n ASP 257 N -1.14 1.72 -4.37 0.00 8.00 -1.00 -1.09 116.55 118.68 1jdx n ASP 257 Ca 0.08 -1.63 -0.32 0.00 0.71 0.00 0.00 54.79 53.63 1jdx n ASP 257 Cb 0.07 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 40.96 1jdx n ASP 257 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jdx s PHE 258 N -1.89 2.46 -0.03 1.24 0.40 -0.56 -2.07 117.98 117.52 1jdx s PHE 258 Ca 0.35 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1jdx s PHE 258 Cb 0.20 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 42.19 1jdx s PHE 258 CO 0.30 0.03 -0.06 -1.50 0.70 0.00 0.00 175.22 174.70 1jdx s ILE 259 N -0.64 0.56 -0.06 0.64 2.07 -0.32 -4.95 121.20 118.51 1jdx s ILE 259 Ca 0.10 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1jdx s ILE 259 Cb -0.10 -0.54 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1jdx s ILE 259 CO -0.00 0.21 0.31 -0.13 -1.91 0.00 0.00 174.94 173.41 1jdx s ARG 260 N 0.56 3.80 -0.38 3.50 0.52 -1.26 -1.62 118.95 124.07 1jdx s ARG 260 Ca -0.07 0.19 0.11 0.00 -0.52 0.00 0.00 55.73 55.44 1jdx s ARG 260 Cb -0.11 -3.24 0.32 0.00 0.52 0.00 0.00 34.95 32.45 1jdx s ARG 260 CO 0.00 0.66 0.70 0.00 0.02 0.00 0.00 175.30 176.69 1jdx n ALA 261 N 2.10 1.89 -0.51 2.13 0.00 -0.14 -3.38 120.51 122.60 1jdx n ALA 261 Ca -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.02 1jdx n ALA 261 Cb 0.53 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1jdx n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdx n GLY 262 N 0.57 3.31 0.00 0.00 0.00 -0.01 -2.60 105.19 106.47 1jdx n GLY 262 Ca 0.23 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1jdx n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdx n ARG 263 N 13.02 0.07 -5.05 1.61 1.74 -0.02 -4.65 116.66 123.39 1jdx n ARG 263 Ca 0.00 0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 1jdx n ARG 263 Cb 0.00 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 1jdx n ARG 263 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jdx s ASP 264 N -2.88 3.17 -0.08 0.55 1.01 -1.07 -1.05 116.67 116.31 1jdx s ASP 264 Ca 0.11 -0.55 0.04 0.00 0.71 0.00 0.00 52.55 52.85 1jdx s ASP 264 Cb 0.11 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.61 1jdx s ASP 264 CO 0.30 0.14 -0.21 -0.63 0.21 0.00 0.00 175.17 174.98 1jdx s ILE 265 N 0.46 1.80 -0.11 0.77 1.01 -0.24 -0.97 121.20 123.93 1jdx s ILE 265 Ca -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 1jdx s ILE 265 Cb -0.17 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1jdx s ILE 265 CO 0.06 0.50 0.00 -0.36 0.00 0.00 0.00 174.94 175.14 1jdx s PHE 266 N 0.35 3.15 0.10 3.97 0.08 -0.64 -0.00 117.98 124.99 1jdx s PHE 266 Ca -0.16 0.10 0.05 0.00 0.12 0.00 0.00 56.93 57.04 1jdx s PHE 266 Cb -0.17 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1jdx s PHE 266 CO 0.07 0.35 -0.12 0.00 -0.10 0.00 0.00 175.22 175.42 1jdx s ALA 267 N -0.54 1.24 -0.04 5.36 0.00 0.11 -1.17 121.76 126.72 1jdx s ALA 267 Ca 0.09 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1jdx s ALA 267 Cb -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1jdx s ALA 267 CO 0.02 0.03 -0.15 -1.14 0.00 0.00 0.00 175.76 174.52 1jdx s GLN 268 N -2.63 1.58 -0.11 0.00 0.74 -0.88 -1.27 119.66 117.09 1jdx s GLN 268 Ca 0.06 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 1jdx s GLN 268 Cb -0.04 -1.40 -0.02 0.00 1.10 0.00 0.00 33.01 32.65 1jdx s GLN 268 CO 0.01 0.23 1.13 0.50 -0.55 0.00 0.00 175.29 176.62 1jdx s ARG 269 N 0.03 4.34 0.00 1.67 3.00 -1.26 -4.78 118.95 121.94 1jdx s ARG 269 Ca -0.03 1.55 0.00 0.00 -1.00 0.00 0.00 55.73 56.25 1jdx s ARG 269 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.25 1jdx s ARG 269 CO 0.02 -0.48 0.00 -1.13 0.00 0.00 0.00 175.30 173.71 1jdx n SER 270 N 5.53 0.85 0.19 -2.12 3.41 -0.11 -4.96 113.62 116.41 1jdx n SER 270 Ca 0.11 -0.56 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1jdx n SER 270 Cb 0.47 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.90 1jdx n SER 270 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jdx h GLN 271 N 0.00 0.08 -0.01 4.33 1.08 -1.59 -3.24 115.11 115.78 1jdx h GLN 271 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1jdx h GLN 271 Cb 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1jdx h GLN 271 CO 0.00 0.22 -0.25 1.33 -0.95 0.00 0.00 178.83 179.18 1jdx n VAL 272 N -4.34 0.00 -4.02 -0.54 0.24 -1.26 -3.65 118.33 104.76 1jdx n VAL 272 Ca -0.02 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.34 61.59 1jdx n VAL 272 Cb 0.22 1.08 -0.15 0.00 -1.47 0.00 0.00 33.84 33.53 1jdx n VAL 272 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1jdx s THR 273 N -1.43 1.94 0.57 3.34 2.01 -1.22 -2.78 115.64 118.07 1jdx s THR 273 Ca 0.07 -1.54 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1jdx s THR 273 Cb 0.07 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.49 1jdx s THR 273 CO 0.27 -0.10 0.80 0.54 -0.69 0.00 0.00 174.62 175.43 1jdx s ASN 274 N 1.19 5.17 0.45 3.53 2.20 -1.04 -0.93 114.94 125.51 1jdx s ASN 274 Ca -0.06 -0.06 0.16 0.00 -0.94 0.00 0.00 52.86 51.96 1jdx s ASN 274 Cb -0.19 -0.77 1.04 0.00 -2.00 0.00 0.00 41.25 39.32 1jdx s ASN 274 CO -0.06 -1.23 1.99 1.88 -2.94 0.00 0.00 177.10 176.74 1jdx h TYR 275 N 0.00 0.00 -0.47 1.54 0.05 -1.91 -1.62 116.97 114.55 1jdx h TYR 275 Ca -0.41 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.32 1jdx h TYR 275 Cb 1.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.01 1jdx h TYR 275 CO 0.32 0.19 0.11 -0.07 -1.05 0.00 0.00 178.16 177.66 1jdx h LEU 276 N 0.00 0.72 -0.57 3.88 3.38 -1.91 0.05 115.31 120.86 1jdx h LEU 276 Ca -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1jdx h LEU 276 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1jdx h LEU 276 CO 0.02 0.77 0.26 1.23 0.09 0.00 0.00 178.44 180.82 1jdx h GLY 277 N 0.64 0.90 1.06 0.83 0.00 -1.57 -0.48 103.07 104.45 1jdx h GLY 277 Ca 0.15 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1jdx h GLY 277 CO 0.00 0.43 0.10 -2.22 0.00 0.00 0.00 176.54 174.86 1jdx h ILE 278 N 0.78 1.26 -0.31 2.60 2.04 -1.10 -2.44 117.51 120.34 1jdx h ILE 278 Ca 0.20 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 1jdx h ILE 278 Cb 0.14 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1jdx h ILE 278 CO -0.02 0.38 -0.12 -0.08 0.00 0.00 0.00 178.15 178.31 1jdx h GLU 279 N 0.98 0.54 -0.37 2.37 4.57 -0.64 0.40 114.58 122.43 1jdx h GLU 279 Ca 0.19 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1jdx h GLU 279 Cb 0.44 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1jdx h GLU 279 CO 0.01 0.66 0.15 2.35 -1.18 0.00 0.00 179.01 181.00 1jdx h TRP 280 N 0.50 0.57 -0.16 0.92 7.01 -0.80 -0.58 115.95 123.41 1jdx h TRP 280 Ca 0.09 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1jdx h TRP 280 Cb 0.51 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1jdx h TRP 280 CO 0.02 0.52 0.09 0.52 -2.79 0.00 0.00 178.44 176.80 1jdx h MET 281 N 0.46 0.23 -0.25 2.65 2.86 -0.95 0.90 114.93 120.83 1jdx h MET 281 Ca 0.12 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1jdx h MET 281 Cb 0.19 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1jdx h MET 281 CO -0.01 0.24 -0.01 -0.09 1.06 0.00 0.00 176.91 178.09 1jdx h ARG 282 N 0.16 0.06 -0.29 1.72 2.43 -0.84 -1.03 114.38 116.60 1jdx h ARG 282 Ca 0.06 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1jdx h ARG 282 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1jdx h ARG 282 CO -0.01 0.04 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.07 1jdx h ARG 283 N 0.06 0.63 -0.09 0.20 2.43 -1.01 -1.79 114.38 114.81 1jdx h ARG 283 Ca 0.12 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 1jdx h ARG 283 Cb 0.16 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1jdx h ARG 283 CO -0.21 0.88 -0.44 1.25 -1.51 0.00 0.00 179.97 179.94 1jdx h HIS 284 N 0.54 0.24 0.00 2.20 2.76 -0.47 -3.32 115.15 117.10 1jdx h HIS 284 Ca 0.06 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1jdx h HIS 284 Cb 0.83 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 1jdx h HIS 284 CO 0.04 0.61 -1.60 1.28 -1.30 0.00 0.00 177.93 176.96 1jdx n LEU 285 N -4.01 0.39 -4.73 0.26 4.77 -0.42 -4.94 117.00 108.32 1jdx n LEU 285 Ca -0.02 0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 1jdx n LEU 285 Cb 0.49 0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1jdx n LEU 285 CO 0.42 -0.03 0.88 0.00 -1.33 0.00 0.00 177.39 177.33 1jdx s ALA 286 N -3.36 2.37 -2.05 -1.18 0.00 -0.68 -2.80 121.76 114.06 1jdx s ALA 286 Ca -0.05 1.14 0.26 0.00 0.00 0.00 0.00 51.96 53.31 1jdx s ALA 286 Cb 0.11 -3.53 0.58 0.00 0.00 0.00 0.00 23.12 20.29 1jdx s ALA 286 CO 0.85 -1.56 1.46 -0.35 0.00 0.00 0.00 175.76 176.16 1jdx n PRO 287 N -1.95 1.19 -0.08 0.00 -0.04 -1.26 -4.88 135.00 127.97 1jdx n PRO 287 Ca 0.15 -0.81 -0.01 0.00 -0.04 0.00 0.00 63.50 62.79 1jdx n PRO 287 Cb 0.49 -1.48 0.25 0.00 -0.04 0.00 0.00 33.50 32.71 1jdx n PRO 287 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jdx h ASP 288 N 1.97 0.66 -3.96 3.54 3.32 -1.94 -3.43 116.42 116.58 1jdx h ASP 288 Ca 0.00 -0.10 -0.66 0.00 0.02 0.00 0.00 57.03 56.29 1jdx h ASP 288 Cb 0.60 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 39.76 1jdx h ASP 288 CO 0.00 0.65 -0.86 -0.31 -1.72 0.00 0.00 179.24 177.00 1jdx s TYR 289 N -5.21 2.19 -0.17 4.55 1.51 -1.12 -4.82 117.35 114.27 1jdx s TYR 289 Ca -0.09 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.58 1jdx s TYR 289 Cb 0.16 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1jdx s TYR 289 CO 0.78 0.31 -0.14 1.03 -1.11 0.00 0.00 175.55 176.42 1jdx s ARG 290 N -2.04 3.21 -0.29 -0.62 0.52 -0.22 -3.93 118.95 115.58 1jdx s ARG 290 Ca 0.12 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1jdx s ARG 290 Cb -0.10 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1jdx s ARG 290 CO 0.06 -0.06 0.23 0.08 0.02 0.00 0.00 175.30 175.62 1jdx s VAL 291 N 1.02 5.28 -0.03 3.52 1.01 -1.26 -1.07 120.40 128.87 1jdx s VAL 291 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1jdx s VAL 291 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1jdx s VAL 291 CO -0.03 0.18 -0.07 -1.00 0.00 0.00 0.00 175.10 174.18 1jdx s HIS 292 N 1.80 2.91 -0.16 5.22 0.09 1.00 -4.97 115.29 121.18 1jdx s HIS 292 Ca 0.08 -0.01 -0.09 0.00 -0.00 0.00 0.00 55.06 55.04 1jdx s HIS 292 Cb -0.16 -1.66 -0.05 0.00 -0.00 0.00 0.00 32.58 30.72 1jdx s HIS 292 CO 0.11 0.35 0.14 0.42 -0.00 0.00 0.00 174.74 175.76 1jdx s ILE 293 N -0.91 5.45 0.06 0.60 1.01 -1.26 0.05 121.20 126.20 1jdx s ILE 293 Ca 0.15 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1jdx s ILE 293 Cb -0.11 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1jdx s ILE 293 CO 0.05 0.52 -0.08 0.27 0.00 0.00 0.00 174.94 175.70 1jdx s ILE 294 N -0.28 0.60 0.19 2.92 -4.36 -0.39 -4.91 121.20 114.97 1jdx s ILE 294 Ca 0.11 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 59.23 1jdx s ILE 294 Cb -0.11 -0.92 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1jdx s ILE 294 CO 0.01 -0.51 -0.09 -0.94 0.24 0.00 0.00 174.94 173.65 1jdx s SER 295 N -1.99 2.09 0.20 4.36 1.04 -1.26 -4.33 113.70 113.80 1jdx s SER 295 Ca -0.04 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 1jdx s SER 295 Cb -0.06 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1jdx s SER 295 CO -0.01 -0.33 0.10 -0.36 0.98 0.00 0.00 173.24 173.62 1jdx s PHE 296 N -3.23 1.19 -0.63 5.02 0.08 -1.26 -0.73 117.98 118.43 1jdx s PHE 296 Ca 0.22 -1.29 -0.26 0.00 0.12 0.00 0.00 56.93 55.72 1jdx s PHE 296 Cb 0.02 -0.63 0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1jdx s PHE 296 CO 0.05 -0.52 1.12 0.21 -0.10 0.00 0.00 175.22 175.97 1jdx s LYS 297 N -4.10 3.32 -0.30 0.44 2.20 -0.42 -4.90 119.74 115.99 1jdx s LYS 297 Ca 0.35 -0.17 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 1jdx s LYS 297 Cb 0.07 -4.10 0.15 0.00 -1.51 0.00 0.00 37.83 32.44 1jdx s LYS 297 CO 0.10 -1.78 0.72 0.34 -0.36 0.00 0.00 175.35 174.36 1jdx s ASP 298 N 3.25 -1.06 0.00 1.43 -1.08 -1.26 -4.26 116.67 113.69 1jdx s ASP 298 Ca 0.34 1.28 0.29 0.00 -0.52 0.00 0.00 52.55 53.94 1jdx s ASP 298 Cb -0.10 2.14 1.33 0.00 -1.46 0.00 0.00 42.92 44.83 1jdx s ASP 298 CO 0.19 -0.20 1.96 -0.81 0.52 0.00 0.00 175.17 176.82 1jdx n PRO 299 N 5.36 0.25 -3.03 4.34 -0.04 -1.26 -4.27 135.00 136.35 1jdx n PRO 299 Ca -0.09 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.19 1jdx n PRO 299 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1jdx n PRO 299 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jdx n ASN 300 N -1.36 -0.51 -4.75 3.54 5.15 -1.26 -4.73 115.26 111.34 1jdx n ASN 300 Ca 0.11 -3.16 -0.40 0.00 -0.60 0.00 0.00 54.58 50.53 1jdx n ASN 300 Cb 0.29 0.29 -0.05 0.00 -0.53 0.00 0.00 39.78 39.78 1jdx n ASN 300 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1jdx s PRO 301 N -1.16 4.69 -0.30 1.20 0.04 -1.26 -4.97 135.00 133.23 1jdx s PRO 301 Ca 0.34 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.13 1jdx s PRO 301 Cb 0.29 -3.23 0.20 0.00 0.04 0.00 0.00 34.50 31.79 1jdx s PRO 301 CO -0.10 0.26 0.63 1.41 0.04 0.00 0.00 177.00 179.24 1jdx s MET 302 N -1.14 0.54 0.00 4.56 1.75 -1.26 -1.34 119.30 122.40 1jdx s MET 302 Ca 0.45 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 55.36 1jdx s MET 302 Cb -0.30 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.60 1jdx s MET 302 CO 0.37 -0.99 0.00 0.72 -0.65 0.00 0.00 175.02 174.47 1jdx n HIS 303 N 5.34 0.00 0.00 4.11 8.25 -1.26 -4.96 115.22 126.70 1jdx n HIS 303 Ca 0.06 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1jdx n HIS 303 Cb 0.54 -0.56 -0.14 0.00 1.12 0.00 0.00 29.99 30.96 1jdx n HIS 303 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1jdx n ILE 304 N -0.11 0.31 0.60 1.59 3.06 -0.25 -4.64 119.36 119.93 1jdx n ILE 304 Ca 0.00 -0.56 0.02 0.00 -2.50 0.00 0.00 62.75 59.72 1jdx n ILE 304 Cb 0.00 -0.14 0.13 0.00 0.54 0.00 0.00 39.64 40.17 1jdx n ILE 304 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1jdx n ASP 305 N -2.41 0.00 -0.54 9.51 5.75 -1.25 -0.84 116.55 126.77 1jdx n ASP 305 Ca -0.07 -0.47 0.05 0.00 -0.01 0.00 0.00 54.79 54.30 1jdx n ASP 305 Cb 0.64 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.83 1jdx n ASP 305 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jdx n ALA 306 N -0.72 2.50 0.00 2.12 0.00 -1.26 -4.23 120.51 118.92 1jdx n ALA 306 Ca 0.03 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.19 1jdx n ALA 306 Cb 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1jdx n ALA 306 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jdx n THR 307 N -0.66 0.00 -3.34 0.00 -1.04 -0.03 -4.78 114.28 104.42 1jdx n THR 307 Ca 0.11 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.94 1jdx n THR 307 Cb 0.75 -0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 68.93 1jdx n THR 307 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1jdx s PHE 308 N -1.42 -0.23 -0.37 -1.42 5.36 -0.02 -1.40 117.98 118.49 1jdx s PHE 308 Ca 0.00 -0.95 -0.12 0.00 -0.96 0.00 0.00 56.93 54.90 1jdx s PHE 308 Cb 0.00 -0.42 0.02 0.00 -0.34 0.00 0.00 43.02 42.27 1jdx s PHE 308 CO 0.00 -0.97 0.23 1.21 -1.46 0.00 0.00 175.22 174.23 1jdx s ASN 309 N 1.29 5.84 -0.26 6.13 3.04 -0.54 -4.47 114.94 125.96 1jdx s ASN 309 Ca 0.19 -0.86 -0.29 0.00 0.04 0.00 0.00 52.86 51.94 1jdx s ASN 309 Cb -0.14 -2.07 0.01 0.00 -1.54 0.00 0.00 41.25 37.51 1jdx s ASN 309 CO -0.03 -0.37 1.03 -0.63 -3.04 0.00 0.00 177.10 174.06 1jdx s ILE 310 N 1.61 4.64 -1.83 -5.21 1.01 -1.26 -0.85 121.20 119.32 1jdx s ILE 310 Ca 0.03 1.90 0.15 0.00 0.00 0.00 0.00 60.65 62.73 1jdx s ILE 310 Cb -0.19 -4.33 0.12 0.00 0.01 0.00 0.00 42.46 38.08 1jdx s ILE 310 CO 0.08 -0.26 0.97 2.30 0.00 0.00 0.00 174.94 178.03 1jdx n ILE 311 N 5.48 0.02 -3.82 2.92 -5.35 -0.84 -4.73 119.36 113.04 1jdx n ILE 311 Ca 0.11 -0.51 0.03 0.00 -0.27 0.00 0.00 62.75 62.11 1jdx n ILE 311 Cb 0.46 1.29 0.01 0.00 -1.74 0.00 0.00 39.64 39.66 1jdx n ILE 311 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jdx s GLY 312 N -1.22 -0.28 -0.34 3.28 0.00 -1.17 -4.78 107.32 102.81 1jdx s GLY 312 Ca 0.17 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.99 1jdx s GLY 312 CO 0.18 3.35 2.01 -4.14 0.00 0.00 0.00 173.10 174.50 1jdx s PRO 313 N -2.13 3.05 -0.16 2.90 0.02 -1.26 -2.17 135.00 135.25 1jdx s PRO 313 Ca 0.23 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1jdx s PRO 313 Cb 0.02 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.23 1jdx s PRO 313 CO -0.03 -2.19 0.00 0.41 -0.33 0.00 0.00 177.00 174.86 1jdx n GLY 314 N 5.62 0.45 2.92 0.52 0.00 -1.26 -4.98 105.19 108.47 1jdx n GLY 314 Ca 0.26 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 1jdx n GLY 314 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdx s ILE 315 N -2.06 0.48 -0.02 -0.61 1.01 -0.92 -0.17 121.20 118.91 1jdx s ILE 315 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1jdx s ILE 315 Cb 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1jdx s ILE 315 CO 0.00 0.18 0.14 0.54 0.00 0.00 0.00 174.94 175.80 1jdx s VAL 316 N 0.51 0.05 -0.31 2.92 0.11 -0.35 -1.98 120.40 121.33 1jdx s VAL 316 Ca -0.06 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 58.45 1jdx s VAL 316 Cb -0.10 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1jdx s VAL 316 CO -0.00 -0.21 0.41 -0.76 -3.33 0.00 0.00 175.10 171.21 1jdx s LEU 317 N -0.70 4.26 -0.21 2.54 1.02 -0.03 -0.91 118.68 124.65 1jdx s LEU 317 Ca -0.08 0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 1jdx s LEU 317 Cb -0.05 -2.44 -0.01 0.00 0.02 0.00 0.00 46.19 43.71 1jdx s LEU 317 CO 0.01 -0.32 -0.03 -0.55 0.02 0.00 0.00 176.35 175.48 1jdx s SER 318 N 1.70 4.46 -0.04 2.29 0.15 -0.44 -1.47 113.70 120.35 1jdx s SER 318 Ca 0.15 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 1jdx s SER 318 Cb -0.16 -1.76 -0.07 0.00 -1.71 0.00 0.00 66.02 62.32 1jdx s SER 318 CO 0.11 0.01 1.83 0.21 1.20 0.00 0.00 173.24 176.60 1jdx s ASN 319 N 1.32 6.46 0.51 5.45 3.84 -0.49 -4.20 114.94 127.83 1jdx s ASN 319 Ca 0.04 2.34 0.24 0.00 0.21 0.00 0.00 52.86 55.70 1jdx s ASN 319 Cb -0.14 -2.53 1.34 0.00 -0.55 0.00 0.00 41.25 39.37 1jdx s ASN 319 CO -0.01 -1.09 1.96 1.55 -2.79 0.00 0.00 177.10 176.73 1jdx h PRO 320 N 10.50 0.08 0.00 0.43 0.13 -1.91 -0.14 132.00 141.09 1jdx h PRO 320 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jdx h PRO 320 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jdx h PRO 320 CO 0.95 0.05 -0.22 -0.25 -0.23 0.00 0.00 178.00 178.30 1jdx n ASP 321 N -4.38 0.77 -3.47 1.44 8.00 -1.26 -4.41 116.55 113.24 1jdx n ASP 321 Ca 0.12 0.41 -0.27 0.00 0.71 0.00 0.00 54.79 55.76 1jdx n ASP 321 Cb 0.65 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 41.21 1jdx n ASP 321 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jdx n ARG 322 N -2.20 1.67 -2.16 -1.24 1.74 -0.07 -4.82 116.66 109.59 1jdx n ARG 322 Ca 0.05 -4.11 -0.37 0.00 -0.77 0.00 0.00 57.85 52.64 1jdx n ARG 322 Cb 0.43 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1jdx n ARG 322 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1jdx s PRO 323 N -1.65 3.62 -0.11 5.56 0.04 -1.25 -4.51 135.00 136.70 1jdx s PRO 323 Ca 0.35 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 1jdx s PRO 323 Cb 0.10 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1jdx s PRO 323 CO -0.09 -0.70 0.71 0.00 0.04 0.00 0.00 177.00 176.96 1jdx h HIS 325 N 6.98 0.00 -0.66 0.00 3.86 -1.27 -2.54 115.15 121.52 1jdx h HIS 325 Ca -0.37 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.52 1jdx h HIS 325 Cb 1.18 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.46 1jdx h HIS 325 CO 0.67 0.11 0.27 1.04 0.86 0.00 0.00 177.93 180.88 1jdx n GLN 326 N -3.69 2.27 0.16 2.45 3.00 -1.26 -4.69 117.38 115.62 1jdx n GLN 326 Ca -0.02 -3.09 0.13 0.00 -0.01 0.00 0.00 57.00 54.02 1jdx n GLN 326 Cb 0.22 -2.02 0.68 0.00 0.00 0.00 0.00 30.24 29.13 1jdx n GLN 326 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1jdx h ILE 327 N 1.22 0.85 0.00 5.09 6.09 -1.82 -1.99 117.51 126.96 1jdx h ILE 327 Ca 0.39 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.85 1jdx h ILE 327 Cb 2.24 0.89 -0.00 0.00 0.47 0.00 0.00 36.82 40.42 1jdx h ILE 327 CO 0.72 0.00 -0.15 0.44 -3.07 0.00 0.00 178.15 176.09 1jdx h ASP 328 N 0.00 0.00 -0.61 2.19 5.19 -1.87 -1.17 116.42 120.15 1jdx h ASP 328 Ca 0.10 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1jdx h ASP 328 Cb 0.40 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1jdx h ASP 328 CO -0.00 0.15 0.23 0.25 -3.12 0.00 0.00 179.24 176.75 1jdx h LEU 329 N 0.00 0.87 0.15 1.55 5.85 -1.74 0.75 115.31 122.74 1jdx h LEU 329 Ca -0.00 -0.13 -0.30 0.00 0.84 0.00 0.00 57.88 58.29 1jdx h LEU 329 Cb 0.34 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 41.17 1jdx h LEU 329 CO 0.02 0.80 -1.31 -0.26 -0.34 0.00 0.00 178.44 177.35 1jdx h PHE 330 N 0.93 0.80 -0.64 1.25 0.04 -1.38 -2.68 116.94 115.26 1jdx h PHE 330 Ca 0.21 -0.55 -0.05 0.00 2.80 0.00 0.00 57.97 60.39 1jdx h PHE 330 Cb 0.21 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1jdx h PHE 330 CO 0.02 1.42 0.22 0.87 -0.60 0.00 0.00 178.31 180.23 1jdx h LYS 331 N 0.16 0.99 0.00 1.51 1.57 -1.09 -1.63 116.57 118.08 1jdx h LYS 331 Ca -0.19 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1jdx h LYS 331 Cb 2.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 1jdx h LYS 331 CO 0.24 0.85 -0.16 0.87 -0.57 0.00 0.00 179.45 180.68 1jdx h LYS 332 N 0.92 0.00 -0.00 3.15 1.57 -0.88 -1.78 116.57 119.54 1jdx h LYS 332 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jdx h LYS 332 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1jdx h LYS 332 CO -0.01 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1jdx n ALA 333 N -2.31 2.65 -1.35 3.86 0.00 -0.79 -4.90 120.51 117.66 1jdx n ALA 333 Ca -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 1jdx n ALA 333 Cb 0.27 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1jdx n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdx n GLY 334 N 1.06 0.48 3.82 0.00 0.00 -0.67 -4.88 105.19 105.01 1jdx n GLY 334 Ca 0.22 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1jdx n GLY 334 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jdx s TRP 335 N -2.10 3.46 -0.41 1.61 0.52 -0.68 -5.01 118.94 116.33 1jdx s TRP 335 Ca 0.00 1.44 -0.18 0.00 0.02 0.00 0.00 56.10 57.38 1jdx s TRP 335 Cb 0.00 -2.69 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1jdx s TRP 335 CO 0.00 0.11 0.50 0.99 0.02 0.00 0.00 176.95 178.57 1jdx s THR 336 N -1.88 5.01 -0.31 2.01 2.01 0.76 -4.61 115.64 118.64 1jdx s THR 336 Ca 0.53 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 1jdx s THR 336 Cb -0.13 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1jdx s THR 336 CO 0.18 -0.41 0.27 -0.63 -0.69 0.00 0.00 174.62 173.34 1jdx s ILE 337 N 2.36 5.25 -0.16 1.82 1.09 -1.26 -1.22 121.20 129.08 1jdx s ILE 337 Ca 0.16 0.11 -0.04 0.00 -1.10 0.00 0.00 60.65 59.79 1jdx s ILE 337 Cb -0.16 -3.67 -0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1jdx s ILE 337 CO 0.15 0.09 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.41 1jdx s ILE 338 N 1.86 3.82 -0.32 2.92 -1.09 -0.09 -4.98 121.20 123.32 1jdx s ILE 338 Ca 0.09 -0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.03 1jdx s ILE 338 Cb -0.16 -2.68 -0.00 0.00 -1.58 0.00 0.00 42.46 38.03 1jdx s ILE 338 CO 0.11 0.48 0.16 0.42 -1.23 0.00 0.00 174.94 174.88 1jdx s THR 339 N 0.52 4.65 0.84 2.92 -4.23 -1.26 -1.33 115.64 117.75 1jdx s THR 339 Ca -0.03 -0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 1jdx s THR 339 Cb -0.14 -3.39 0.10 0.00 1.34 0.00 0.00 72.50 70.40 1jdx s THR 339 CO 0.03 0.03 1.12 -2.16 -0.54 0.00 0.00 174.62 173.10 1jdx s PRO 340 N 1.62 1.65 0.81 3.99 0.04 -1.26 -5.01 135.00 136.84 1jdx s PRO 340 Ca 0.04 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1jdx s PRO 340 Cb -0.17 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1jdx s PRO 340 CO 0.07 -2.13 1.10 -1.25 0.04 0.00 0.00 177.00 174.83 1jdx s PRO 341 N -4.75 2.02 0.61 0.56 0.04 -1.26 -4.78 135.00 127.43 1jdx s PRO 341 Ca 0.64 0.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1jdx s PRO 341 Cb -0.20 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1jdx s PRO 341 CO 0.57 -1.66 1.12 0.95 0.04 0.00 0.00 177.00 178.02 1jdx s THR 342 N -3.18 3.19 0.62 1.26 -4.23 -1.26 -4.85 115.64 107.18 1jdx s THR 342 Ca 0.61 0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 61.58 1jdx s THR 342 Cb -0.14 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 1jdx s THR 342 CO 0.54 -0.26 1.17 -2.84 -0.54 0.00 0.00 174.62 172.69 1jdx s PRO 343 N -3.71 2.86 -0.02 3.99 0.02 -1.26 -4.89 135.00 131.98 1jdx s PRO 343 Ca 0.70 1.68 0.10 0.00 0.02 0.00 0.00 61.00 63.50 1jdx s PRO 343 Cb -0.22 -1.93 0.30 0.00 0.02 0.00 0.00 34.50 32.67 1jdx s PRO 343 CO 0.35 -1.26 1.25 0.44 -0.33 0.00 0.00 177.00 177.44 1jdx n ILE 344 N -1.92 1.15 -1.95 2.83 -5.35 -1.26 -5.01 119.36 107.85 1jdx n ILE 344 Ca 0.12 -1.11 -0.42 0.00 -0.27 0.00 0.00 62.75 61.08 1jdx n ILE 344 Cb 0.50 0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 38.79 1jdx n ILE 344 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1jdx s ILE 345 N -1.21 2.59 0.48 7.28 2.07 -1.26 -4.94 121.20 126.21 1jdx s ILE 345 Ca 0.23 0.46 -0.24 0.00 -1.41 0.00 0.00 60.65 59.69 1jdx s ILE 345 Cb 0.13 -3.29 -0.07 0.00 0.13 0.00 0.00 42.46 39.36 1jdx s ILE 345 CO 0.13 0.05 1.37 -2.65 -1.91 0.00 0.00 174.94 171.93 1jdx n PRO 346 N 3.17 1.97 0.13 3.50 -0.02 -1.26 -4.91 135.00 137.58 1jdx n PRO 346 Ca 0.11 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 1jdx n PRO 346 Cb 0.39 -2.55 0.48 0.00 -0.02 0.00 0.00 33.50 31.79 1jdx n PRO 346 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jdx h ASP 347 N 1.92 0.00 1.14 2.55 5.19 -2.02 -2.70 116.42 122.51 1jdx h ASP 347 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1jdx h ASP 347 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1jdx h ASP 347 CO 0.59 0.00 -0.29 -0.90 -3.12 0.00 0.00 179.24 175.52 1jdx n ASP 348 N -2.30 0.70 -4.72 6.45 5.68 -1.26 -4.82 116.55 116.28 1jdx n ASP 348 Ca 0.03 0.34 -0.42 0.00 -0.50 0.00 0.00 54.79 54.24 1jdx n ASP 348 Cb 0.29 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 1jdx n ASP 348 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1jdx s HIS 349 N -3.12 3.54 -0.10 2.11 2.46 -1.02 -4.98 115.29 114.19 1jdx s HIS 349 Ca 0.09 1.49 -0.30 0.00 0.47 0.00 0.00 55.06 56.81 1jdx s HIS 349 Cb 0.13 -3.29 -0.03 0.00 -0.13 0.00 0.00 32.58 29.26 1jdx s HIS 349 CO 0.65 -0.73 1.40 -1.25 -2.47 0.00 0.00 174.74 172.34 1jdx s PRO 350 N 0.80 4.23 -0.61 2.88 0.04 -1.26 -4.96 135.00 136.12 1jdx s PRO 350 Ca 0.55 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1jdx s PRO 350 Cb -0.27 -3.79 0.15 0.00 0.04 0.00 0.00 34.50 30.64 1jdx s PRO 350 CO 0.30 -0.71 0.39 -0.51 0.04 0.00 0.00 177.00 176.50 1jdx s LEU 351 N 3.40 4.39 0.35 -3.56 1.43 -1.26 -4.13 118.68 119.30 1jdx s LEU 351 Ca 0.62 -3.46 0.08 0.00 -1.03 0.00 0.00 54.13 50.34 1jdx s LEU 351 Cb -0.27 -1.56 0.65 0.00 0.03 0.00 0.00 46.19 45.04 1jdx s LEU 351 CO 0.22 -0.15 1.83 -0.50 0.23 0.00 0.00 176.35 177.97 1jdx h TRP 352 N 5.87 0.25 -0.01 0.29 6.55 -1.79 -3.33 115.95 123.78 1jdx h TRP 352 Ca 0.06 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1jdx h TRP 352 Cb 0.82 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.05 1jdx h TRP 352 CO 0.60 0.47 -0.27 -1.33 -1.05 0.00 0.00 178.44 176.86 1jdx n MET 353 N -4.17 1.85 -0.79 0.49 2.81 -1.23 -4.79 117.12 111.30 1jdx n MET 353 Ca -0.01 -0.72 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 1jdx n MET 353 Cb 0.36 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 1jdx n MET 353 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1jdx n SER 354 N -0.17 0.00 -4.47 7.83 3.41 -1.25 -4.85 113.62 114.12 1jdx n SER 354 Ca 0.05 -0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 57.92 1jdx n SER 354 Cb 0.28 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1jdx n SER 354 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jdx n SER 355 N -0.99 1.80 0.12 4.04 3.41 -1.26 -4.86 113.62 115.87 1jdx n SER 355 Ca 0.00 -2.30 0.12 0.00 -0.26 0.00 0.00 58.87 56.43 1jdx n SER 355 Cb 0.00 -0.34 0.46 0.00 -0.26 0.00 0.00 64.21 64.06 1jdx n SER 355 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jdx n LYS 356 N -2.04 0.22 0.00 4.33 5.02 -1.26 -3.94 118.16 120.48 1jdx n LYS 356 Ca 0.13 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1jdx n LYS 356 Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1jdx n LYS 356 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1jdx n TRP 357 N -2.22 0.00 0.28 2.13 7.02 -1.26 -3.52 117.44 119.87 1jdx n TRP 357 Ca 0.04 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.68 1jdx n TRP 357 Cb 0.31 -0.01 0.79 0.00 -2.42 0.00 0.00 31.31 29.99 1jdx n TRP 357 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1jdx h LEU 358 N 0.15 0.00 -1.70 -0.99 3.38 -1.93 -2.61 115.31 111.61 1jdx h LEU 358 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1jdx h LEU 358 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jdx h LEU 358 CO 0.00 0.00 0.31 0.77 0.09 0.00 0.00 178.44 179.61 1jdx h SER 359 N 0.00 0.32 -0.18 -0.43 4.64 -1.93 -1.61 113.55 114.37 1jdx h SER 359 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdx h SER 359 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1jdx h SER 359 CO 0.00 0.21 0.00 1.15 -0.87 0.00 0.00 176.83 177.32 1jdx n MET 360 N -4.47 2.05 -1.34 4.77 0.00 -0.98 -4.43 117.12 112.72 1jdx n MET 360 Ca 0.06 -1.57 -0.25 0.00 0.00 0.00 0.00 57.70 55.95 1jdx n MET 360 Cb 0.27 -1.46 -0.09 0.00 0.00 0.00 0.00 33.22 31.94 1jdx n MET 360 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1jdx n ASN 361 N 0.82 6.55 -4.86 3.17 4.05 -0.61 -4.86 115.26 119.53 1jdx n ASN 361 Ca 0.17 -2.82 -0.31 0.00 0.45 0.00 0.00 54.58 52.08 1jdx n ASN 361 Cb 0.46 -1.37 0.02 0.00 1.23 0.00 0.00 39.78 40.12 1jdx n ASN 361 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1jdx s VAL 362 N -0.15 4.39 -0.12 3.44 -7.23 -1.26 -1.81 120.40 117.66 1jdx s VAL 362 Ca 0.63 0.78 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 1jdx s VAL 362 Cb 0.30 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 1jdx s VAL 362 CO -0.09 -1.01 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.26 1jdx s LEU 363 N -5.29 2.31 -0.14 1.32 2.96 -1.12 -4.14 118.68 114.59 1jdx s LEU 363 Ca 0.56 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 1jdx s LEU 363 Cb -0.12 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1jdx s LEU 363 CO 0.54 0.14 0.47 -0.04 -1.32 0.00 0.00 176.35 176.14 1jdx s MET 364 N 0.47 4.30 0.14 1.98 -1.94 -1.26 -0.59 119.30 122.40 1jdx s MET 364 Ca -0.14 0.42 0.13 0.00 -1.71 0.00 0.00 55.69 54.39 1jdx s MET 364 Cb -0.17 -3.47 -0.10 0.00 2.01 0.00 0.00 34.83 33.11 1jdx s MET 364 CO 0.06 0.09 1.16 -0.07 -0.01 0.00 0.00 175.02 176.25 1jdx h LEU 365 N 7.02 0.00 0.00 -0.03 3.38 -1.21 -3.45 115.31 121.02 1jdx h LEU 365 Ca -0.39 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.71 1jdx h LEU 365 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1jdx h LEU 365 CO 0.75 0.73 0.46 -0.90 0.09 0.00 0.00 178.44 179.58 1jdx n ASP 366 N -3.17 -1.22 -0.10 -0.43 5.68 -1.14 -0.88 116.55 115.30 1jdx n ASP 366 Ca -0.03 -1.60 0.09 0.00 -0.50 0.00 0.00 54.79 52.74 1jdx n ASP 366 Cb 0.86 1.97 0.44 0.00 -1.14 0.00 0.00 41.12 43.25 1jdx n ASP 366 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jdx h GLU 367 N 0.00 0.54 -0.20 0.11 5.08 -1.82 -3.00 114.58 115.29 1jdx h GLU 367 Ca -0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1jdx h GLU 367 Cb 0.87 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jdx h GLU 367 CO 0.26 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 180.26 1jdx n LYS 368 N -4.48 1.94 -4.53 2.33 4.76 -1.26 -4.92 118.16 112.00 1jdx n LYS 368 Ca 0.09 -1.85 -0.27 0.00 -2.87 0.00 0.00 58.31 53.41 1jdx n LYS 368 Cb 0.26 -1.38 -0.17 0.00 -1.84 0.00 0.00 35.03 31.91 1jdx n LYS 368 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jdx s ARG 369 N -1.36 2.06 -0.02 1.97 0.52 -1.13 0.39 118.95 121.39 1jdx s ARG 369 Ca 0.27 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 1jdx s ARG 369 Cb 0.17 -1.74 -0.01 0.00 0.52 0.00 0.00 34.95 33.89 1jdx s ARG 369 CO 0.24 -0.03 -0.15 0.54 0.02 0.00 0.00 175.30 175.92 1jdx s VAL 370 N 0.87 1.18 -0.31 3.52 0.11 -0.42 -0.68 120.40 124.67 1jdx s VAL 370 Ca -0.10 -0.62 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 1jdx s VAL 370 Cb -0.15 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1jdx s VAL 370 CO 0.01 0.34 0.48 -0.32 -3.33 0.00 0.00 175.10 172.27 1jdx s MET 371 N -0.24 3.80 0.15 1.54 1.75 0.24 -0.45 119.30 126.10 1jdx s MET 371 Ca 0.03 -0.02 0.06 0.00 -1.25 0.00 0.00 55.69 54.51 1jdx s MET 371 Cb -0.07 -3.74 -0.04 0.00 2.84 0.00 0.00 34.83 33.82 1jdx s MET 371 CO -0.00 -0.50 -0.12 0.54 -0.65 0.00 0.00 175.02 174.29 1jdx s VAL 372 N 2.30 1.35 0.15 10.11 0.11 -0.63 -2.80 120.40 130.99 1jdx s VAL 372 Ca 0.18 -2.00 -0.31 0.00 -2.93 0.00 0.00 61.98 56.93 1jdx s VAL 372 Cb -0.16 -1.80 -0.08 0.00 -1.53 0.00 0.00 36.38 32.81 1jdx s VAL 372 CO 0.12 -0.62 1.36 -0.62 -3.33 0.00 0.00 175.10 172.01 1jdx s ASP 373 N -2.99 6.85 0.42 3.54 2.15 -1.26 -1.85 116.67 123.52 1jdx s ASP 373 Ca 0.16 2.37 0.11 0.00 0.43 0.00 0.00 52.55 55.62 1jdx s ASP 373 Cb -0.00 -2.60 0.95 0.00 -0.30 0.00 0.00 42.92 40.96 1jdx s ASP 373 CO 0.03 -0.60 1.99 0.00 -0.17 0.00 0.00 175.17 176.41 1jdx h ALA 374 N 6.16 1.90 0.00 3.66 0.00 -1.37 -2.23 119.26 127.38 1jdx h ALA 374 Ca -0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1jdx h ALA 374 Cb 1.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jdx h ALA 374 CO 0.82 -0.01 -0.14 -0.91 0.00 0.00 0.00 179.25 179.01 1jdx h ASN 375 N 0.50 0.00 -2.15 0.00 2.35 -1.91 -3.40 115.58 110.97 1jdx h ASN 375 Ca 0.26 0.00 -0.77 0.00 -0.55 0.00 0.00 56.30 55.24 1jdx h ASN 375 Cb 0.37 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.55 1jdx h ASN 375 CO -0.07 0.14 1.42 -0.62 -1.65 0.00 0.00 177.43 176.65 1jdx n GLU 376 N -3.16 3.69 -0.17 0.81 -0.58 -0.84 -4.86 120.64 115.53 1jdx n GLU 376 Ca 0.03 -3.92 -0.07 0.00 -0.42 0.00 0.00 57.16 52.78 1jdx n GLU 376 Cb 0.55 -2.84 0.02 0.00 -0.57 0.00 0.00 31.44 28.59 1jdx n GLU 376 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1jdx h VAL 377 N 3.94 1.14 -0.65 2.62 2.07 -1.81 -2.76 116.25 120.80 1jdx h VAL 377 Ca 0.31 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1jdx h VAL 377 Cb 0.73 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1jdx h VAL 377 CO 1.39 0.13 0.23 -0.65 0.02 0.00 0.00 177.57 178.69 1jdx h PRO 378 N 0.69 0.39 0.00 1.57 0.11 -1.92 0.21 132.00 133.05 1jdx h PRO 378 Ca 0.19 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 1jdx h PRO 378 Cb -0.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1jdx h PRO 378 CO -0.04 0.26 -0.32 0.97 -0.21 0.00 0.00 178.00 178.65 1jdx h ILE 379 N 0.40 0.76 -0.25 4.15 2.10 -1.86 -2.41 117.51 120.39 1jdx h ILE 379 Ca 0.34 -1.41 -0.03 0.00 1.08 0.00 0.00 64.86 64.84 1jdx h ILE 379 Cb 0.45 1.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 1jdx h ILE 379 CO -0.35 0.32 0.04 1.56 -1.08 0.00 0.00 178.15 178.64 1jdx h GLN 380 N 0.00 0.42 -0.94 2.19 4.20 -0.73 -2.28 115.11 117.98 1jdx h GLN 380 Ca -0.00 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1jdx h GLN 380 Cb 0.87 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 1jdx h GLN 380 CO 0.04 0.55 0.62 0.87 -0.67 0.00 0.00 178.83 180.24 1jdx h LYS 381 N 0.22 1.21 -0.18 1.46 1.79 -0.89 -0.75 116.57 119.44 1jdx h LYS 381 Ca 0.08 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1jdx h LYS 381 Cb 0.34 -0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1jdx h LYS 381 CO 0.01 0.80 -0.06 1.98 -1.08 0.00 0.00 179.45 181.10 1jdx h MET 382 N 1.25 -0.03 -0.54 3.15 4.05 -1.18 -0.51 114.93 121.13 1jdx h MET 382 Ca 0.35 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.73 1jdx h MET 382 Cb -0.12 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1jdx h MET 382 CO -0.08 -0.02 0.18 0.74 0.23 0.00 0.00 176.91 177.96 1jdx h PHE 383 N -0.03 0.86 -0.81 1.39 0.04 -0.98 -2.84 116.94 114.57 1jdx h PHE 383 Ca 0.09 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1jdx h PHE 383 Cb 0.16 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1jdx h PHE 383 CO -0.22 0.72 0.49 0.93 -0.60 0.00 0.00 178.31 179.64 1jdx h GLU 384 N 0.75 1.10 0.00 1.51 5.08 -0.76 -0.80 114.58 121.46 1jdx h GLU 384 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jdx h GLU 384 Cb 0.25 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jdx h GLU 384 CO -0.01 0.77 0.00 0.87 -1.00 0.00 0.00 179.01 179.64 1jdx h LYS 385 N 1.12 0.00 -0.07 2.33 1.57 -0.92 -1.77 116.57 118.83 1jdx h LYS 385 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1jdx h LYS 385 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1jdx h LYS 385 CO -0.05 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.11 1jdx n LEU 386 N -3.07 1.84 0.00 2.94 4.77 -0.43 -4.93 117.00 118.12 1jdx n LEU 386 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1jdx n LEU 386 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1jdx n LEU 386 CO 0.26 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1jdx n GLY 387 N 1.21 0.49 3.55 -0.72 0.00 -0.67 -5.03 105.19 104.03 1jdx n GLY 387 Ca 0.18 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1jdx n GLY 387 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdx s ILE 388 N -2.00 5.07 0.09 -0.61 1.01 -0.45 -4.90 121.20 119.41 1jdx s ILE 388 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 1jdx s ILE 388 Cb 0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 1jdx s ILE 388 CO 0.00 0.26 1.57 -0.89 0.00 0.00 0.00 174.94 175.88 1jdx s THR 389 N 1.72 3.04 -0.23 2.92 2.01 0.16 -3.65 115.64 121.61 1jdx s THR 389 Ca 0.07 0.59 -0.13 0.00 0.31 0.00 0.00 61.69 62.53 1jdx s THR 389 Cb -0.16 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1jdx s THR 389 CO 0.09 0.02 0.28 0.42 -0.69 0.00 0.00 174.62 174.73 1jdx s THR 390 N 2.07 5.28 -0.47 -0.82 -4.23 -1.26 -1.30 115.64 114.91 1jdx s THR 390 Ca 0.71 0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 61.53 1jdx s THR 390 Cb -0.39 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 69.94 1jdx s THR 390 CO 0.31 0.29 0.35 -0.63 -0.54 0.00 0.00 174.62 174.40 1jdx s ILE 391 N 1.28 4.51 -0.12 2.99 1.01 0.41 -4.97 121.20 126.31 1jdx s ILE 391 Ca 0.13 -1.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.01 1jdx s ILE 391 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1jdx s ILE 391 CO 0.07 -0.69 0.75 -0.54 0.00 0.00 0.00 174.94 174.53 1jdx s LYS 392 N 1.46 4.36 0.01 2.79 1.02 -1.26 -1.61 119.74 126.51 1jdx s LYS 392 Ca 0.04 0.92 0.03 0.00 0.02 0.00 0.00 55.97 56.98 1jdx s LYS 392 Cb -0.26 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1jdx s LYS 392 CO 0.02 -0.13 -0.09 0.08 -0.92 0.00 0.00 175.35 174.31 1jdx s VAL 393 N 1.47 0.70 -0.24 3.17 1.01 -0.77 -4.77 120.40 120.96 1jdx s VAL 393 Ca 0.37 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1jdx s VAL 393 Cb -0.17 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1jdx s VAL 393 CO 0.15 0.08 0.24 0.21 0.00 0.00 0.00 175.10 175.79 1jdx s ASN 394 N -0.51 6.18 -0.19 3.32 2.47 -1.26 -0.99 114.94 123.95 1jdx s ASN 394 Ca 0.01 0.19 0.22 0.00 0.42 0.00 0.00 52.86 53.70 1jdx s ASN 394 Cb -0.05 -2.15 0.48 0.00 -1.45 0.00 0.00 41.25 38.08 1jdx s ASN 394 CO 0.00 -0.02 1.14 2.30 -3.72 0.00 0.00 177.10 176.80 1jdx n ILE 395 N 4.57 1.07 -0.27 -5.21 -5.35 -1.26 -4.80 119.36 108.12 1jdx n ILE 395 Ca -0.13 -2.51 0.06 0.00 -0.27 0.00 0.00 62.75 59.90 1jdx n ILE 395 Cb 0.52 0.90 0.20 0.00 -1.74 0.00 0.00 39.64 39.52 1jdx n ILE 395 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1jdx h ARG 396 N 2.02 0.50 0.00 6.28 9.65 -1.98 -0.16 114.38 130.70 1jdx h ARG 396 Ca -0.11 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.56 1jdx h ARG 396 Cb 1.46 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.90 1jdx h ARG 396 CO 0.20 0.33 -0.90 -0.91 2.80 0.00 0.00 179.97 181.50 1jdx h ASN 397 N 0.52 0.00 0.41 -3.80 2.35 -1.91 -3.18 115.58 109.97 1jdx h ASN 397 Ca 0.43 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.09 1jdx h ASN 397 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1jdx h ASN 397 CO -0.38 0.85 -0.45 0.00 -1.65 0.00 0.00 177.43 175.80 1jdx h ALA 398 N 1.15 1.22 -0.36 -0.83 0.00 -1.63 -2.43 119.26 116.38 1jdx h ALA 398 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1jdx h ALA 398 Cb 1.67 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1jdx h ALA 398 CO 0.11 0.57 0.24 -0.91 0.00 0.00 0.00 179.25 179.26 1jdx h ASN 399 N 0.04 0.26 -0.36 0.00 -0.26 -1.03 -1.79 115.58 112.43 1jdx h ASN 399 Ca 0.00 -0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1jdx h ASN 399 Cb 0.81 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.99 1jdx h ASN 399 CO 0.06 0.17 0.25 0.28 -1.06 0.00 0.00 177.43 177.14 1jdx h SER 400 N 0.30 0.10 0.98 5.81 0.02 -1.53 -0.75 113.55 118.47 1jdx h SER 400 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jdx h SER 400 Cb 0.23 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1jdx h SER 400 CO -0.03 0.06 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 1jdx n LEU 401 N -4.46 0.51 0.00 5.07 4.77 -0.67 -2.47 117.00 119.75 1jdx n LEU 401 Ca 0.05 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1jdx n LEU 401 Cb 0.36 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1jdx n LEU 401 CO 0.35 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1jdx n GLY 402 N 0.66 1.42 3.32 -0.72 0.00 -0.29 -4.63 105.19 104.94 1jdx n GLY 402 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1jdx n GLY 402 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdx s GLY 403 N -1.82 -0.06 0.00 -0.02 0.00 -1.24 -4.75 107.32 99.43 1jdx s GLY 403 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1jdx s GLY 403 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.21 1jdx n GLY 404 N -0.20 2.59 0.25 0.20 0.00 -1.26 -3.94 105.19 102.82 1jdx n GLY 404 Ca -0.14 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1jdx n GLY 404 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jdx h PHE 405 N 0.00 1.00 -0.72 1.61 0.04 -1.69 -2.06 116.94 115.12 1jdx h PHE 405 Ca 0.00 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 1jdx h PHE 405 Cb 0.00 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 1jdx h PHE 405 CO 0.00 1.06 0.18 1.25 -0.60 0.00 0.00 178.31 180.20 1jdx h HIS 406 N 0.66 1.21 -0.36 -0.55 2.76 -1.51 -3.13 115.15 114.22 1jdx h HIS 406 Ca 0.07 -0.14 -0.13 0.00 -2.20 0.00 0.00 60.37 57.97 1jdx h HIS 406 Cb 0.85 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1jdx h HIS 406 CO 0.06 0.98 -0.30 0.00 -1.30 0.00 0.00 177.93 177.37 1jdx n TRP 408 N -4.18 0.00 -4.39 0.00 7.02 -0.78 -2.80 117.44 112.32 1jdx n TRP 408 Ca -0.03 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.26 1jdx n TRP 408 Cb 0.49 -0.17 -0.10 0.00 -2.42 0.00 0.00 31.31 29.11 1jdx n TRP 408 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1jdx s THR 409 N -2.34 0.75 -0.21 -0.99 -4.23 -1.18 -1.06 115.64 106.37 1jdx s THR 409 Ca 0.21 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 1jdx s THR 409 Cb 0.12 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.42 1jdx s THR 409 CO 0.25 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.63 1jdx s ASP 411 N 2.45 6.58 -0.06 0.00 -4.77 -1.26 -0.88 116.67 118.73 1jdx s ASP 411 Ca 0.08 1.35 -0.08 0.00 -3.30 0.00 0.00 52.55 50.61 1jdx s ASP 411 Cb -0.15 -2.54 -0.29 0.00 -1.09 0.00 0.00 42.92 38.86 1jdx s ASP 411 CO -0.13 -1.13 0.59 0.58 0.70 0.00 0.00 175.17 175.78 1jdx h VAL 412 N 6.01 0.85 -3.09 2.11 2.07 -1.62 -3.43 116.25 119.15 1jdx h VAL 412 Ca -0.29 -2.50 -0.24 0.00 0.82 0.00 0.00 66.70 64.49 1jdx h VAL 412 Cb 1.12 2.66 -0.32 0.00 -1.52 0.00 0.00 31.29 33.23 1jdx h VAL 412 CO 1.02 0.85 -0.57 -0.60 0.02 0.00 0.00 177.57 178.30 1jdx s ARG 413 N -2.58 0.11 -0.02 1.57 3.52 -1.09 -0.84 118.95 119.62 1jdx s ARG 413 Ca -0.17 0.52 0.05 0.00 -0.13 0.00 0.00 55.73 56.01 1jdx s ARG 413 Cb 0.06 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.27 1jdx s ARG 413 CO 0.83 -0.22 -0.18 1.03 -0.81 0.00 0.00 175.30 175.95 1jdx s ARG 414 N 1.70 1.48 -0.44 5.12 0.52 -0.06 -0.40 118.95 126.87 1jdx s ARG 414 Ca -0.04 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1jdx s ARG 414 Cb -0.11 -1.41 0.03 0.00 0.52 0.00 0.00 34.95 33.97 1jdx s ARG 414 CO -0.07 0.37 1.15 0.50 0.02 0.00 0.00 175.30 177.27 1jdx s ARG 415 N -0.37 3.78 0.00 3.54 3.52 0.11 -4.63 118.95 124.89 1jdx s ARG 415 Ca 0.06 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1jdx s ARG 415 Cb -0.07 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1jdx s ARG 415 CO -0.00 -1.31 0.00 0.41 -0.81 0.00 0.00 175.30 173.59 1jdx n GLY 416 N 4.68 -1.91 3.57 8.12 0.00 -1.26 -3.78 105.19 114.61 1jdx n GLY 416 Ca 0.12 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1jdx n GLY 416 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdx s THR 417 N -2.03 2.26 -0.10 2.61 -4.23 -1.26 -4.95 115.64 107.94 1jdx s THR 417 Ca 0.00 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.08 1jdx s THR 417 Cb 0.00 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1jdx s THR 417 CO 0.00 -0.17 1.19 -0.22 -0.54 0.00 0.00 174.62 174.89 1jdx s LEU 418 N -3.65 4.24 0.23 4.79 2.96 -1.26 -4.90 118.68 121.09 1jdx s LEU 418 Ca 0.33 1.74 -0.01 0.00 -0.22 0.00 0.00 54.13 55.97 1jdx s LEU 418 Cb 0.03 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1jdx s LEU 418 CO 0.17 -0.63 0.20 -1.10 -1.32 0.00 0.00 176.35 173.68 1jdx s GLN 419 N 2.59 1.37 -0.10 1.98 -0.21 -1.26 -4.96 119.66 119.07 1jdx s GLN 419 Ca 0.54 -1.67 0.01 0.00 0.02 0.00 0.00 55.36 54.26 1jdx s GLN 419 Cb -0.23 0.31 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 1jdx s GLN 419 CO 0.19 -0.48 -0.10 0.45 -2.12 0.00 0.00 175.29 173.23 1jdx s SER 420 N -3.19 4.33 0.00 5.90 0.15 -1.26 -0.84 113.70 118.79 1jdx s SER 420 Ca 0.37 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1jdx s SER 420 Cb 0.05 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1jdx s SER 420 CO 0.15 0.27 0.90 -1.22 1.20 0.00 0.00 173.24 174.54 1jdx n TYR 421 N 2.84 0.00 -0.40 3.44 4.01 -1.26 -4.52 117.16 121.27 1jdx n TYR 421 Ca -0.18 -0.40 0.06 0.00 -0.16 0.00 0.00 57.90 57.22 1jdx n TYR 421 Cb 0.53 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.67 1jdx n TYR 421 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1jdx n LEU 422 N -0.40 3.01 0.00 7.72 7.94 -1.26 -4.64 117.00 129.37 1jdx n LEU 422 Ca 0.00 -2.31 0.00 0.00 -1.11 0.00 0.00 56.01 52.59 1jdx n LEU 422 Cb 0.26 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1jdx n LEU 422 CO 0.00 0.69 0.00 0.47 -1.11 0.00 0.00 177.39 177.44