#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvx n GLN 47 N 0.00 0.15 -4.29 1.20 6.02 -1.26 -4.84 117.38 114.37 3kvx n GLN 47 Ca 0.00 0.23 -0.28 0.00 -0.01 0.00 0.00 57.00 56.94 3kvx n GLN 47 Cb 0.00 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 29.44 3kvx n GLN 47 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kvx s PHE 48 N -3.12 2.61 0.13 1.08 0.08 -1.26 -1.03 117.98 116.46 3kvx s PHE 48 Ca 0.09 -0.23 -0.00 0.00 0.12 0.00 0.00 56.93 56.91 3kvx s PHE 48 Cb 0.13 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 3kvx s PHE 48 CO 0.48 0.46 0.02 1.52 -0.10 0.00 0.00 175.22 177.61 3kvx s TYR 49 N -1.44 0.90 0.08 0.36 1.13 -0.85 -4.87 117.35 112.64 3kvx s TYR 49 Ca 0.22 -1.14 0.07 0.00 -1.41 0.00 0.00 57.07 54.81 3kvx s TYR 49 Cb -0.10 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.20 3kvx s TYR 49 CO 0.13 -0.41 -0.13 -1.12 -2.51 0.00 0.00 175.55 171.51 3kvx s SER 50 N -3.06 4.17 -0.07 -0.18 0.01 -1.26 -1.06 113.70 112.25 3kvx s SER 50 Ca 0.21 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 3kvx s SER 50 Cb 0.07 -0.75 0.04 0.00 0.21 0.00 0.00 66.02 65.59 3kvx s SER 50 CO 0.00 0.21 0.41 0.54 0.41 0.00 0.00 173.24 174.82 3kvx s VAL 51 N -1.11 0.03 0.08 3.43 0.11 0.24 -5.00 120.40 118.19 3kvx s VAL 51 Ca 0.19 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 3kvx s VAL 51 Cb -0.11 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 3kvx s VAL 51 CO 0.10 -0.13 1.10 -1.83 -3.33 0.00 0.00 175.10 171.01 3kvx s GLU 52 N -0.81 4.53 -0.09 1.54 1.03 -1.26 -0.29 118.70 123.33 3kvx s GLU 52 Ca -0.09 1.64 -0.02 0.00 0.03 0.00 0.00 54.97 56.53 3kvx s GLU 52 Cb -0.04 -3.36 0.04 0.00 -0.80 0.00 0.00 34.13 29.97 3kvx s GLU 52 CO 0.04 -0.08 0.03 0.08 -1.33 0.00 0.00 175.26 173.99 3kvx s VAL 53 N 0.64 0.26 0.00 1.83 1.01 0.23 -4.87 120.40 119.49 3kvx s VAL 53 Ca 0.54 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3kvx s VAL 53 Cb -0.27 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.57 3kvx s VAL 53 CO 0.30 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3kvx n GLY 54 N 5.17 3.55 0.26 4.51 0.00 -1.26 -0.52 105.19 116.90 3kvx n GLY 54 Ca -0.07 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3kvx n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kvx n ASP 55 N 4.76 1.02 -3.53 1.61 8.00 -1.26 -4.94 116.55 122.21 3kvx n ASP 55 Ca 0.00 -0.92 -0.15 0.00 0.71 0.00 0.00 54.79 54.43 3kvx n ASP 55 Cb 0.00 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3kvx n ASP 55 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kvx n SER 56 N -0.59 2.13 -4.07 -2.24 3.41 0.32 -5.13 113.62 107.45 3kvx n SER 56 Ca 0.13 -2.08 -0.30 0.00 -0.26 0.00 0.00 58.87 56.37 3kvx n SER 56 Cb 0.34 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.15 3kvx n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kvx s THR 57 N -1.60 1.64 -0.17 6.66 2.01 -1.26 -0.60 115.64 122.32 3kvx s THR 57 Ca 0.13 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3kvx s THR 57 Cb -0.01 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3kvx s THR 57 CO 0.08 0.47 0.19 -0.36 -0.69 0.00 0.00 174.62 174.31 3kvx s PHE 58 N 1.09 3.47 -0.27 4.92 2.99 0.60 -4.91 117.98 125.86 3kvx s PHE 58 Ca -0.03 0.46 -0.03 0.00 0.00 0.00 0.00 56.93 57.33 3kvx s PHE 58 Cb -0.14 -2.18 0.03 0.00 0.00 0.00 0.00 43.02 40.72 3kvx s PHE 58 CO -0.04 0.36 -0.02 0.99 -0.00 0.00 0.00 175.22 176.51 3kvx s THR 59 N 0.10 3.08 0.18 0.64 2.01 -1.26 -0.59 115.64 119.80 3kvx s THR 59 Ca 0.12 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3kvx s THR 59 Cb -0.12 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 3kvx s THR 59 CO 0.01 0.10 -0.07 0.68 -0.69 0.00 0.00 174.62 174.65 3kvx s VAL 60 N 1.34 1.16 0.60 3.82 -7.23 -0.23 -4.70 120.40 115.17 3kvx s VAL 60 Ca -0.01 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 3kvx s VAL 60 Cb -0.17 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3kvx s VAL 60 CO -0.02 -0.60 1.31 -0.76 -0.31 0.00 0.00 175.10 174.71 3kvx s LEU 61 N -3.22 3.70 0.60 1.32 1.43 -1.26 -2.02 118.68 119.23 3kvx s LEU 61 Ca 0.21 2.66 0.34 0.00 -1.03 0.00 0.00 54.13 56.31 3kvx s LEU 61 Cb 0.03 -4.47 1.90 0.00 0.03 0.00 0.00 46.19 43.68 3kvx s LEU 61 CO 0.03 -1.79 2.23 0.11 0.23 0.00 0.00 176.35 177.17 3kvx h LYS 62 N 0.96 0.00 -0.90 1.70 1.57 -1.42 -2.08 116.57 116.40 3kvx h LYS 62 Ca -0.51 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.51 3kvx h LYS 62 Cb 1.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 3kvx h LYS 62 CO 0.55 0.03 0.63 0.07 -0.57 0.00 0.00 179.45 180.16 3kvx h ARG 63 N 0.00 0.13 -5.68 3.15 0.11 -1.90 -3.40 114.38 106.79 3kvx h ARG 63 Ca -0.00 -0.01 -0.60 0.00 0.10 0.00 0.00 59.98 59.47 3kvx h ARG 63 Cb 0.11 -0.03 -0.10 0.00 1.11 0.00 0.00 29.97 31.06 3kvx h ARG 63 CO 0.00 0.08 0.33 0.71 0.10 0.00 0.00 179.97 181.20 3kvx s TYR 64 N -5.13 3.26 0.13 4.08 2.02 -0.79 -0.67 117.35 120.25 3kvx s TYR 64 Ca -0.06 0.89 0.06 0.00 -0.37 0.00 0.00 57.07 57.59 3kvx s TYR 64 Cb 0.22 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 3kvx s TYR 64 CO 0.78 -0.44 -0.15 -0.65 -1.57 0.00 0.00 175.55 173.51 3kvx s GLN 65 N 2.77 1.07 -1.20 -0.62 -0.21 -0.14 -4.88 119.66 116.45 3kvx s GLN 65 Ca 0.31 -1.27 -0.07 0.00 0.02 0.00 0.00 55.36 54.34 3kvx s GLN 65 Cb -0.15 -0.99 -0.02 0.00 1.00 0.00 0.00 33.01 32.86 3kvx s GLN 65 CO 0.10 0.19 0.78 0.27 -2.12 0.00 0.00 175.29 174.51 3kvx n ASN 66 N 0.48 -3.52 -4.64 5.90 0.23 -1.26 -1.89 115.26 110.57 3kvx n ASN 66 Ca -0.15 -0.85 -0.43 0.00 -0.53 0.00 0.00 54.58 52.62 3kvx n ASN 66 Cb 0.57 -4.12 -0.03 0.00 -2.08 0.00 0.00 39.78 34.12 3kvx n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3kvx s LEU 67 N -6.34 4.06 -0.14 -4.53 1.02 -1.26 -4.50 118.68 106.99 3kvx s LEU 67 Ca 0.23 2.08 -0.00 0.00 0.02 0.00 0.00 54.13 56.47 3kvx s LEU 67 Cb -0.06 -3.53 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3kvx s LEU 67 CO 0.81 -1.25 -0.10 -1.59 0.02 0.00 0.00 176.35 174.24 3kvx s LYS 68 N 4.76 1.87 0.25 1.70 -2.85 -0.42 -4.95 119.74 120.09 3kvx s LYS 68 Ca 0.81 -0.43 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 3kvx s LYS 68 Cb -0.33 -1.88 -0.15 0.00 -2.06 0.00 0.00 37.83 33.42 3kvx s LYS 68 CO 0.33 -0.27 1.02 -2.30 0.10 0.00 0.00 175.35 174.23 3kvx n PRO 69 N 4.85 1.21 -0.00 1.78 -0.02 -1.26 -1.12 135.00 140.45 3kvx n PRO 69 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3kvx n PRO 69 Cb 0.50 -1.81 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3kvx n PRO 69 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kvx n ILE 70 N 0.55 0.00 0.00 4.25 3.06 0.15 -4.77 119.36 122.61 3kvx n ILE 70 Ca 0.12 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 3kvx n ILE 70 Cb 0.30 0.47 0.00 0.00 0.54 0.00 0.00 39.64 40.95 3kvx n ILE 70 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kvx n GLY 71 N 2.48 0.94 3.12 4.50 0.00 -1.16 -5.01 105.19 110.07 3kvx n GLY 71 Ca -0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 3kvx n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvx s SER 72 N 0.00 0.54 0.00 1.61 1.04 -1.26 -0.68 113.70 114.96 3kvx s SER 72 Ca 0.00 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3kvx s SER 72 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3kvx s SER 72 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3kvx n GLY 73 N 0.04 3.67 0.25 7.32 0.00 -0.89 -4.94 105.19 110.64 3kvx n GLY 73 Ca -0.12 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3kvx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvx n ALA 74 N -3.00 2.86 -1.75 4.61 0.00 -1.26 -1.93 120.51 120.04 3kvx n ALA 74 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 3kvx n ALA 74 Cb 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 19.45 18.36 3kvx n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kvx n GLN 75 N -0.55 2.54 0.00 0.00 3.00 -1.26 -5.10 117.38 116.01 3kvx n GLN 75 Ca 0.15 -3.67 0.00 0.00 -0.01 0.00 0.00 57.00 53.47 3kvx n GLN 75 Cb 0.32 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 28.60 3kvx n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kvx n GLY 76 N -0.94 1.73 3.76 1.08 0.00 -0.81 -4.50 105.19 105.52 3kvx n GLY 76 Ca 0.33 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3kvx n GLY 76 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kvx s ILE 77 N 0.00 2.63 -0.06 -0.61 -0.00 -1.26 -2.09 121.20 119.81 3kvx s ILE 77 Ca 0.00 0.52 0.03 0.00 -0.00 0.00 0.00 60.65 61.20 3kvx s ILE 77 Cb 0.00 -3.29 0.01 0.00 -0.00 0.00 0.00 42.46 39.18 3kvx s ILE 77 CO 0.00 0.04 -0.13 -0.69 -0.00 0.00 0.00 174.94 174.15 3kvx s VAL 78 N -1.35 1.20 0.08 8.37 1.01 0.15 -4.10 120.40 125.77 3kvx s VAL 78 Ca 0.62 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.13 3kvx s VAL 78 Cb -0.36 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3kvx s VAL 78 CO 0.45 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.84 3kvx s ALA 80 N -1.19 3.60 0.35 0.00 0.00 -0.27 0.19 121.76 124.44 3kvx s ALA 80 Ca 0.21 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 3kvx s ALA 80 Cb -0.11 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3kvx s ALA 80 CO 0.13 0.45 0.62 0.00 0.00 0.00 0.00 175.76 176.96 3kvx s ALA 81 N -1.88 -0.03 -0.13 0.00 0.00 -0.60 -1.31 121.76 117.81 3kvx s ALA 81 Ca 0.46 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3kvx s ALA 81 Cb -0.11 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3kvx s ALA 81 CO 0.24 -0.89 -0.21 -0.47 0.00 0.00 0.00 175.76 174.43 3kvx s TYR 82 N -2.86 2.66 -0.62 0.00 6.14 -0.79 -1.57 117.35 120.30 3kvx s TYR 82 Ca 0.23 -1.13 -0.20 0.00 0.64 0.00 0.00 57.07 56.61 3kvx s TYR 82 Cb -0.03 -1.79 0.10 0.00 0.42 0.00 0.00 41.96 40.66 3kvx s TYR 82 CO 0.15 -0.49 0.78 0.34 0.64 0.00 0.00 175.55 176.98 3kvx s ASP 83 N 0.60 6.20 0.34 4.32 2.15 0.85 -0.96 116.67 130.16 3kvx s ASP 83 Ca -0.12 -1.35 0.02 0.00 0.43 0.00 0.00 52.55 51.53 3kvx s ASP 83 Cb -0.16 -2.33 0.61 0.00 -0.30 0.00 0.00 42.92 40.73 3kvx s ASP 83 CO 0.03 -1.20 2.00 0.00 -0.17 0.00 0.00 175.17 175.83 3kvx h ALA 84 N 9.27 1.52 0.00 3.66 0.00 -1.18 1.07 119.26 133.59 3kvx h ALA 84 Ca -0.28 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3kvx h ALA 84 Cb 1.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kvx h ALA 84 CO 1.12 0.44 -0.52 0.28 0.00 0.00 0.00 179.25 180.56 3kvx h VAL 85 N 0.87 1.22 -0.00 0.00 2.07 -1.92 -3.05 116.25 115.44 3kvx h VAL 85 Ca 0.23 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3kvx h VAL 85 Cb -0.07 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3kvx h VAL 85 CO -0.05 0.51 -0.62 0.18 0.02 0.00 0.00 177.57 177.62 3kvx n LEU 86 N -3.69 0.70 -3.75 2.57 4.32 -1.00 -5.02 117.00 111.13 3kvx n LEU 86 Ca -0.01 -0.52 -0.26 0.00 -0.02 0.00 0.00 56.01 55.20 3kvx n LEU 86 Cb 0.58 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.38 3kvx n LEU 86 CO 0.40 0.17 -0.15 -0.67 -1.22 0.00 0.00 177.39 175.92 3kvx n ASP 87 N -1.24 -5.12 -3.13 -1.43 2.03 0.36 -5.03 116.55 103.00 3kvx n ASP 87 Ca 0.03 -0.93 -0.10 0.00 0.52 0.00 0.00 54.79 54.31 3kvx n ASP 87 Cb 0.22 -2.26 0.00 0.00 -0.72 0.00 0.00 41.12 38.37 3kvx n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kvx s ARG 88 N -5.27 2.10 0.09 -0.67 1.70 -1.08 -5.00 118.95 110.83 3kvx s ARG 88 Ca 0.13 -1.43 -0.11 0.00 -0.47 0.00 0.00 55.73 53.85 3kvx s ARG 88 Cb -0.07 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 3kvx s ARG 88 CO 0.89 -0.96 0.44 -0.80 -1.08 0.00 0.00 175.30 173.78 3kvx s ASN 89 N -3.08 6.70 0.23 -2.89 0.01 -1.26 -0.10 114.94 114.55 3kvx s ASN 89 Ca 0.18 0.88 0.01 0.00 -0.71 0.00 0.00 52.86 53.21 3kvx s ASN 89 Cb -0.04 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3kvx s ASN 89 CO 0.12 0.17 0.10 0.68 -1.51 0.00 0.00 177.10 176.67 3kvx s VAL 90 N -1.38 0.39 -0.04 1.60 -7.23 -0.61 -3.68 120.40 109.45 3kvx s VAL 90 Ca 0.33 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3kvx s VAL 90 Cb -0.14 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3kvx s VAL 90 CO 0.18 -0.03 -0.23 0.00 -0.31 0.00 0.00 175.10 174.70 3kvx s ALA 91 N -3.88 2.00 -0.06 1.32 0.00 0.14 -1.55 121.76 119.72 3kvx s ALA 91 Ca 0.37 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3kvx s ALA 91 Cb 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3kvx s ALA 91 CO 0.12 0.42 -0.17 0.42 0.00 0.00 0.00 175.76 176.55 3kvx s ILE 92 N -0.26 1.46 -0.02 0.00 1.01 0.13 -1.06 121.20 122.45 3kvx s ILE 92 Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.00 3kvx s ILE 92 Cb -0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3kvx s ILE 92 CO 0.02 0.42 -0.17 -0.75 0.00 0.00 0.00 174.94 174.46 3kvx s LYS 93 N 0.23 1.50 -0.22 2.79 2.20 -0.38 -0.67 119.74 125.19 3kvx s LYS 93 Ca -0.09 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 3kvx s LYS 93 Cb -0.14 -1.39 -0.03 0.00 -1.51 0.00 0.00 37.83 34.76 3kvx s LYS 93 CO 0.04 0.32 0.03 0.21 -0.36 0.00 0.00 175.35 175.58 3kvx s LYS 94 N -0.23 3.64 -0.49 4.03 2.20 -1.26 -1.23 119.74 126.41 3kvx s LYS 94 Ca 0.03 -0.50 -0.19 0.00 -0.36 0.00 0.00 55.97 54.96 3kvx s LYS 94 Cb -0.08 -3.19 0.05 0.00 -1.51 0.00 0.00 37.83 33.10 3kvx s LYS 94 CO 0.00 -0.07 0.57 -0.51 -0.36 0.00 0.00 175.35 174.99 3kvx s LEU 95 N 1.24 5.01 -0.23 5.43 1.02 0.17 -4.75 118.68 126.57 3kvx s LEU 95 Ca 0.04 -0.90 -0.23 0.00 0.02 0.00 0.00 54.13 53.06 3kvx s LEU 95 Cb -0.15 -2.42 -0.01 0.00 0.02 0.00 0.00 46.19 43.63 3kvx s LEU 95 CO 0.02 -0.82 0.76 -0.55 0.02 0.00 0.00 176.35 175.79 3kvx s SER 96 N 2.53 6.77 -0.77 2.29 0.15 -1.26 -1.41 113.70 122.00 3kvx s SER 96 Ca 0.14 0.95 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 3kvx s SER 96 Cb -0.19 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3kvx s SER 96 CO 0.12 -0.45 0.52 0.54 1.20 0.00 0.00 173.24 175.18 3kvx n ARG 97 N 5.76 -1.14 0.14 5.44 1.74 -0.94 -4.87 116.66 122.79 3kvx n ARG 97 Ca 0.03 0.51 0.01 0.00 -0.77 0.00 0.00 57.85 57.63 3kvx n ARG 97 Cb 0.48 -1.89 0.31 0.00 -1.02 0.00 0.00 32.46 30.34 3kvx n ARG 97 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3kvx h PRO 98 N -0.41 0.14 0.00 5.56 0.13 -1.79 -2.52 132.00 133.11 3kvx h PRO 98 Ca -0.56 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3kvx h PRO 98 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kvx h PRO 98 CO 0.34 0.47 0.00 1.97 -0.23 0.00 0.00 178.00 180.55 3kvx n PHE 99 N -4.10 0.00 -0.21 1.56 1.16 -1.26 -1.36 117.46 113.25 3kvx n PHE 99 Ca -0.01 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 3kvx n PHE 99 Cb 0.41 -0.16 0.43 0.00 -1.61 0.00 0.00 39.48 38.54 3kvx n PHE 99 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 3kvx h GLN 100 N 0.00 0.56 -3.82 3.97 3.07 -1.80 -3.44 115.11 113.65 3kvx h GLN 100 Ca 0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 58.65 58.55 3kvx h GLN 100 Cb 0.08 -0.13 -0.07 0.00 0.08 0.00 0.00 27.48 27.44 3kvx h GLN 100 CO 0.00 0.37 -0.12 0.54 0.09 0.00 0.00 178.83 179.72 3kvx s ASN 101 N -5.91 0.41 0.11 0.06 2.20 -1.26 -5.02 114.94 105.53 3kvx s ASN 101 Ca -0.09 -1.24 -0.21 0.00 -0.94 0.00 0.00 52.86 50.39 3kvx s ASN 101 Cb 0.21 0.65 -0.09 0.00 -2.00 0.00 0.00 41.25 40.02 3kvx s ASN 101 CO 0.78 -1.28 1.74 1.56 -2.94 0.00 0.00 177.10 176.95 3kvx h GLN 102 N 2.16 0.20 -0.36 3.55 1.08 -1.91 -0.96 115.11 118.88 3kvx h GLN 102 Ca -0.28 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.80 3kvx h GLN 102 Cb 1.25 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3kvx h GLN 102 CO 0.38 0.17 -0.17 1.79 -0.95 0.00 0.00 178.83 180.06 3kvx h THR 103 N 0.18 1.28 -0.70 -0.54 1.35 -1.97 0.33 112.91 112.84 3kvx h THR 103 Ca 0.05 -1.28 -0.05 0.00 -0.55 0.00 0.00 66.41 64.58 3kvx h THR 103 Cb 0.02 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 3kvx h THR 103 CO -0.01 0.42 0.25 0.45 -0.25 0.00 0.00 175.52 176.39 3kvx h HIS 104 N 0.54 1.07 -0.04 4.73 3.86 -1.76 -2.58 115.15 120.97 3kvx h HIS 104 Ca 0.08 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3kvx h HIS 104 Cb 0.71 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3kvx h HIS 104 CO 0.06 0.83 -0.18 0.00 0.86 0.00 0.00 177.93 179.50 3kvx h ALA 105 N 1.25 0.08 -0.04 2.45 0.00 0.11 -1.54 119.26 121.57 3kvx h ALA 105 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kvx h ALA 105 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kvx h ALA 105 CO -0.02 0.04 -0.13 1.57 0.00 0.00 0.00 179.25 180.71 3kvx h LYS 106 N -0.36 0.05 -0.09 0.00 -0.00 -0.38 -0.13 116.57 115.67 3kvx h LYS 106 Ca -0.01 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.65 60.48 3kvx h LYS 106 Cb 0.83 -0.01 0.01 0.00 -0.00 0.00 0.00 32.23 33.06 3kvx h LYS 106 CO 0.04 0.19 -0.55 -0.09 -0.00 0.00 0.00 179.45 179.04 3kvx h ARG 107 N 0.05 0.52 -0.20 0.07 2.43 -1.22 -1.42 114.38 114.62 3kvx h ARG 107 Ca 0.01 -0.45 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3kvx h ARG 107 Cb 0.27 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3kvx h ARG 107 CO 0.02 1.08 -0.04 0.00 -1.51 0.00 0.00 179.97 179.51 3kvx h ALA 108 N 0.45 0.27 -0.33 2.80 0.00 -1.15 -0.83 119.26 120.47 3kvx h ALA 108 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kvx h ALA 108 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3kvx h ALA 108 CO 0.11 0.04 0.22 -0.92 0.00 0.00 0.00 179.25 178.70 3kvx h TYR 109 N 0.11 0.42 -0.02 0.00 3.20 -1.02 -0.42 116.97 119.23 3kvx h TYR 109 Ca 0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3kvx h TYR 109 Cb 0.48 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3kvx h TYR 109 CO 0.05 0.27 -0.11 0.00 -1.64 0.00 0.00 178.16 176.73 3kvx h ARG 110 N 0.45 -0.18 -0.70 1.82 3.08 -1.07 -1.30 114.38 116.48 3kvx h ARG 110 Ca 0.12 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.31 3kvx h ARG 110 Cb -0.04 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 3kvx h ARG 110 CO -0.03 -0.12 0.27 1.49 -1.07 0.00 0.00 179.97 180.52 3kvx h GLU 111 N -0.18 0.42 -0.11 0.04 4.81 -0.78 0.17 114.58 118.95 3kvx h GLU 111 Ca 0.05 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 3kvx h GLU 111 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kvx h GLU 111 CO -0.13 0.28 -0.64 -0.07 -0.73 0.00 0.00 179.01 177.72 3kvx h LEU 112 N 0.43 0.46 0.10 1.64 4.07 -0.43 -2.69 115.31 118.90 3kvx h LEU 112 Ca 0.38 -0.28 -0.20 0.00 0.08 0.00 0.00 57.88 57.86 3kvx h LEU 112 Cb 0.53 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3kvx h LEU 112 CO -0.37 0.98 -1.00 0.58 -1.08 0.00 0.00 178.44 177.55 3kvx h VAL 113 N 0.29 1.29 0.00 1.22 2.07 -0.44 -3.38 116.25 117.30 3kvx h VAL 113 Ca -0.01 -2.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 3kvx h VAL 113 Cb 1.18 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 3kvx h VAL 113 CO 0.11 0.66 -0.40 -0.07 0.02 0.00 0.00 177.57 177.89 3kvx h LEU 114 N -0.49 0.00 -2.04 2.57 3.38 -1.05 -0.31 115.31 117.38 3kvx h LEU 114 Ca -0.21 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3kvx h LEU 114 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3kvx h LEU 114 CO 0.06 0.40 0.37 0.24 0.09 0.00 0.00 178.44 179.60 3kvx h MET 115 N 0.00 0.00 0.00 1.13 2.86 -1.66 0.88 114.93 118.13 3kvx h MET 115 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3kvx h MET 115 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3kvx h MET 115 CO 0.05 0.00 -0.24 0.87 1.06 0.00 0.00 176.91 178.66 3kvx h LYS 116 N 0.00 0.00 0.00 1.72 1.57 -1.22 -3.41 116.57 115.22 3kvx h LYS 116 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kvx h LYS 116 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3kvx h LYS 116 CO -0.00 0.24 -0.91 0.00 -0.57 0.00 0.00 179.45 178.20 3kvx n VAL 118 N -1.66 3.56 -2.78 0.00 0.31 0.20 -4.95 118.33 113.00 3kvx n VAL 118 Ca 0.00 -3.46 -0.41 0.00 -0.01 0.00 0.00 64.34 60.46 3kvx n VAL 118 Cb 0.27 -2.44 -0.04 0.00 -0.91 0.00 0.00 33.84 30.72 3kvx n VAL 118 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kvx s ASN 119 N 3.96 7.39 -0.21 4.52 2.20 -1.26 -4.80 114.94 126.74 3kvx s ASN 119 Ca 0.52 1.67 -0.21 0.00 -0.94 0.00 0.00 52.86 53.90 3kvx s ASN 119 Cb 0.08 -2.55 0.06 0.00 -2.00 0.00 0.00 41.25 36.84 3kvx s ASN 119 CO 0.02 -0.10 0.59 -2.28 -2.94 0.00 0.00 177.10 172.38 3kvx s HIS 120 N 0.29 -0.64 0.29 1.54 5.04 -1.26 -4.96 115.29 115.59 3kvx s HIS 120 Ca 0.46 1.52 -0.02 0.00 -1.54 0.00 0.00 55.06 55.48 3kvx s HIS 120 Cb -0.22 0.23 0.63 0.00 0.04 0.00 0.00 32.58 33.25 3kvx s HIS 120 CO 0.28 -0.33 1.57 -0.22 -2.34 0.00 0.00 174.74 173.69 3kvx h LYS 121 N 5.04 0.01 -0.32 2.88 3.64 -1.96 -3.10 116.57 122.75 3kvx h LYS 121 Ca -0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3kvx h LYS 121 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kvx h LYS 121 CO 0.16 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 3kvx n ASN 122 N -5.53 3.92 -4.18 4.20 4.13 -1.26 -4.85 115.26 111.69 3kvx n ASN 122 Ca 0.20 -2.81 -0.31 0.00 1.68 0.00 0.00 54.58 53.34 3kvx n ASN 122 Cb 0.65 -0.50 -0.17 0.00 -1.54 0.00 0.00 39.78 38.21 3kvx n ASN 122 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kvx s ILE 123 N -2.46 1.90 0.73 2.41 -1.09 -1.17 -1.37 121.20 120.15 3kvx s ILE 123 Ca 0.40 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.75 3kvx s ILE 123 Cb 0.31 -1.66 0.03 0.00 -1.58 0.00 0.00 42.46 39.56 3kvx s ILE 123 CO 0.11 0.52 1.18 0.00 -1.23 0.00 0.00 174.94 175.53 3kvx n ILE 124 N 3.68 3.30 -4.40 2.92 3.06 -0.58 -4.47 119.36 122.87 3kvx n ILE 124 Ca -0.20 -0.35 -0.29 0.00 -2.50 0.00 0.00 62.75 59.41 3kvx n ILE 124 Cb 0.53 -1.28 -0.13 0.00 0.54 0.00 0.00 39.64 39.29 3kvx n ILE 124 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3kvx s SER 125 N -1.73 3.42 -0.27 9.51 0.15 -1.26 -4.95 113.70 118.56 3kvx s SER 125 Ca 0.77 -0.71 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 3kvx s SER 125 Cb -0.34 -0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 3kvx s SER 125 CO 0.47 0.18 0.64 -0.76 1.20 0.00 0.00 173.24 174.97 3kvx s LEU 126 N -2.04 4.08 0.05 3.45 1.43 -1.26 -3.81 118.68 120.57 3kvx s LEU 126 Ca 0.15 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3kvx s LEU 126 Cb -0.10 -2.87 -0.27 0.00 0.03 0.00 0.00 46.19 42.98 3kvx s LEU 126 CO 0.07 -0.41 1.03 -0.07 0.23 0.00 0.00 176.35 177.20 3kvx h LEU 127 N 9.00 0.33 -7.05 1.79 3.38 -0.64 -3.49 115.31 118.64 3kvx h LEU 127 Ca -0.27 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 3kvx h LEU 127 Cb 1.12 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 3kvx h LEU 127 CO 0.79 1.32 0.12 0.21 0.09 0.00 0.00 178.44 180.97 3kvx s ASN 128 N -6.97 -0.65 -0.04 -0.43 2.47 -1.01 -5.02 114.94 103.29 3kvx s ASN 128 Ca -0.05 0.90 0.03 0.00 0.42 0.00 0.00 52.86 54.16 3kvx s ASN 128 Cb 0.07 0.81 0.00 0.00 -1.45 0.00 0.00 41.25 40.69 3kvx s ASN 128 CO 0.86 -0.47 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.94 3kvx s VAL 129 N -0.67 1.22 0.03 -5.21 1.01 -1.26 -0.41 120.40 115.11 3kvx s VAL 129 Ca -0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 3kvx s VAL 129 Cb -0.02 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.34 3kvx s VAL 129 CO 0.07 0.36 0.48 0.72 0.00 0.00 0.00 175.10 176.73 3kvx s PHE 130 N 0.21 -0.37 0.10 5.22 -0.12 -0.54 -4.95 117.98 117.53 3kvx s PHE 130 Ca -0.06 0.42 0.10 0.00 -0.05 0.00 0.00 56.93 57.34 3kvx s PHE 130 Cb -0.12 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3kvx s PHE 130 CO 0.02 -0.60 -0.24 -0.08 -0.05 0.00 0.00 175.22 174.27 3kvx s THR 131 N -2.29 2.41 -1.55 -4.49 -1.32 -1.26 -0.53 115.64 106.61 3kvx s THR 131 Ca -0.06 -1.57 0.30 0.00 -1.21 0.00 0.00 61.69 59.14 3kvx s THR 131 Cb -0.01 -2.05 0.50 0.00 -1.51 0.00 0.00 72.50 69.44 3kvx s THR 131 CO -0.01 0.17 1.96 -2.65 -2.21 0.00 0.00 174.62 171.89 3kvx n PRO 132 N 1.13 0.57 -3.05 7.08 -0.02 -1.26 -4.91 135.00 134.53 3kvx n PRO 132 Ca -0.17 -0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 60.88 3kvx n PRO 132 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 3kvx n PRO 132 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kvx s GLN 133 N -2.51 3.98 0.15 -0.52 1.11 -1.26 -4.99 119.66 115.61 3kvx s GLN 133 Ca 0.29 0.67 0.17 0.00 0.01 0.00 0.00 55.36 56.51 3kvx s GLN 133 Cb 0.20 -2.40 -0.05 0.00 -1.01 0.00 0.00 33.01 29.75 3kvx s GLN 133 CO 0.47 0.10 1.03 0.87 0.01 0.00 0.00 175.29 177.77 3kvx h LYS 134 N 2.02 0.00 -3.87 2.91 1.57 -1.91 -3.47 116.57 113.82 3kvx h LYS 134 Ca -0.48 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 3kvx h LYS 134 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 3kvx h LYS 134 CO 0.65 0.30 -0.18 0.95 -0.57 0.00 0.00 179.45 180.59 3kvx s THR 135 N -3.00 0.00 0.10 -0.16 -4.23 -1.26 -5.03 115.64 102.05 3kvx s THR 135 Ca -0.01 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 3kvx s THR 135 Cb 0.08 -2.40 -0.13 0.00 1.34 0.00 0.00 72.50 71.40 3kvx s THR 135 CO 0.79 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.82 3kvx h LEU 136 N 2.24 -0.22 -0.72 4.79 5.85 -1.96 0.80 115.31 126.09 3kvx h LEU 136 Ca -0.28 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.62 3kvx h LEU 136 Cb 1.25 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 3kvx h LEU 136 CO 0.39 -0.13 0.15 -0.08 -0.34 0.00 0.00 178.44 178.43 3kvx h GLU 137 N -0.18 0.24 0.00 1.25 4.81 -2.02 -1.11 114.58 117.57 3kvx h GLU 137 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kvx h GLU 137 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kvx h GLU 137 CO -0.03 0.16 -0.68 0.39 -0.73 0.00 0.00 179.01 178.12 3kvx n GLU 138 N -5.17 0.15 -1.51 1.92 1.02 -0.98 -4.96 120.64 111.11 3kvx n GLU 138 Ca 0.13 0.02 -0.56 0.00 -0.02 0.00 0.00 57.16 56.73 3kvx n GLU 138 Cb 0.44 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3kvx n GLU 138 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kvx n PHE 139 N -1.78 0.77 0.05 -0.32 7.35 0.24 -4.90 117.46 118.87 3kvx n PHE 139 Ca 0.04 0.95 0.00 0.00 -0.76 0.00 0.00 57.45 57.68 3kvx n PHE 139 Cb 0.39 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 38.08 3kvx n PHE 139 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3kvx n GLN 140 N 1.68 0.00 -4.47 -4.13 1.13 -1.26 -5.04 117.38 105.29 3kvx n GLN 140 Ca 0.19 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 55.03 3kvx n GLN 140 Cb 0.12 -0.04 -0.14 0.00 0.11 0.00 0.00 30.24 30.30 3kvx n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kvx s ASP 141 N -5.03 2.10 -0.05 1.08 1.01 -1.26 -2.22 116.67 112.30 3kvx s ASP 141 Ca 0.00 -0.51 0.06 0.00 0.71 0.00 0.00 52.55 52.81 3kvx s ASP 141 Cb 0.00 -0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.76 3kvx s ASP 141 CO 0.00 0.09 -0.23 -0.69 0.21 0.00 0.00 175.17 174.54 3kvx s VAL 142 N -0.87 2.22 -0.18 -1.27 1.01 -0.50 -4.39 120.40 116.42 3kvx s VAL 142 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3kvx s VAL 142 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3kvx s VAL 142 CO 0.02 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.30 3kvx s TYR 143 N -0.34 2.91 -0.22 5.22 1.51 0.31 0.42 117.35 127.16 3kvx s TYR 143 Ca 0.02 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 3kvx s TYR 143 Cb -0.12 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3kvx s TYR 143 CO 0.02 -0.38 0.04 -0.51 -1.11 0.00 0.00 175.55 173.62 3kvx s LEU 144 N 0.92 3.40 -0.13 -1.29 1.43 -0.36 -1.47 118.68 121.19 3kvx s LEU 144 Ca -0.01 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3kvx s LEU 144 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3kvx s LEU 144 CO 0.00 0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 175.85 3kvx s VAL 145 N 1.25 3.68 0.15 -1.59 1.01 0.46 -1.25 120.40 124.10 3kvx s VAL 145 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3kvx s VAL 145 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3kvx s VAL 145 CO 0.02 0.53 -0.04 -0.04 0.00 0.00 0.00 175.10 175.58 3kvx s MET 146 N 0.02 1.01 0.52 2.72 -1.94 -0.22 0.15 119.30 121.56 3kvx s MET 146 Ca -0.01 -1.46 -0.21 0.00 -1.71 0.00 0.00 55.69 52.30 3kvx s MET 146 Cb -0.14 -0.31 -0.06 0.00 2.01 0.00 0.00 34.83 36.34 3kvx s MET 146 CO 0.03 -0.06 1.24 -1.83 -0.01 0.00 0.00 175.02 174.39 3kvx s GLU 147 N -3.86 3.36 -0.14 2.03 1.03 -1.25 0.24 118.70 120.11 3kvx s GLU 147 Ca 0.19 1.94 -0.20 0.00 0.03 0.00 0.00 54.97 56.93 3kvx s GLU 147 Cb 0.05 -2.24 -0.04 0.00 -0.80 0.00 0.00 34.13 31.11 3kvx s GLU 147 CO 0.01 -0.93 0.56 -1.17 -1.33 0.00 0.00 175.26 172.40 3kvx s LEU 148 N -3.45 4.24 0.22 1.83 2.96 -1.24 -4.27 118.68 118.97 3kvx s LEU 148 Ca 0.70 0.88 0.09 0.00 -0.22 0.00 0.00 54.13 55.57 3kvx s LEU 148 Cb -0.33 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 3kvx s LEU 148 CO 0.39 -0.11 -0.03 -0.04 -1.32 0.00 0.00 176.35 175.24 3kvx s MET 149 N 1.08 2.26 0.36 1.98 -1.94 -1.26 -4.96 119.30 116.82 3kvx s MET 149 Ca 0.29 -1.30 0.24 0.00 -1.71 0.00 0.00 55.69 53.21 3kvx s MET 149 Cb -0.16 -2.21 0.52 0.00 2.01 0.00 0.00 34.83 34.99 3kvx s MET 149 CO 0.12 0.41 1.67 -0.44 -0.01 0.00 0.00 175.02 176.77 3kvx h ASP 150 N 2.36 0.00 -5.01 3.03 3.32 -1.81 -3.47 116.42 114.84 3kvx h ASP 150 Ca -0.46 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.87 3kvx h ASP 150 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3kvx h ASP 150 CO 0.58 0.00 0.79 0.00 -1.72 0.00 0.00 179.24 178.89 3kvx s ALA 151 N -3.18 -2.12 0.66 3.45 0.00 -1.05 -5.01 121.76 114.52 3kvx s ALA 151 Ca 0.08 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3kvx s ALA 151 Cb 0.08 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.46 3kvx s ALA 151 CO 0.64 -0.83 0.91 0.54 0.00 0.00 0.00 175.76 177.02 3kvx s ASN 152 N -2.59 4.67 -0.08 0.00 2.20 -1.26 -1.26 114.94 116.62 3kvx s ASN 152 Ca 0.12 -0.46 -0.03 0.00 -0.94 0.00 0.00 52.86 51.54 3kvx s ASN 152 Cb 0.02 -0.03 -0.12 0.00 -2.00 0.00 0.00 41.25 39.12 3kvx s ASN 152 CO -0.04 -1.62 1.98 0.18 -2.94 0.00 0.00 177.10 174.65 3kvx n LEU 153 N -2.60 2.65 0.00 3.54 4.77 -0.28 -3.60 117.00 121.49 3kvx n LEU 153 Ca 0.14 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 3kvx n LEU 153 Cb 0.61 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3kvx n LEU 153 CO 0.42 0.52 0.00 0.00 -1.33 0.00 0.00 177.39 177.00 3kvx n GLN 155 N 2.92 0.00 -0.25 3.23 6.02 -1.26 -0.40 117.38 127.64 3kvx n GLN 155 Ca 0.22 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.14 3kvx n GLN 155 Cb 0.40 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.71 3kvx n GLN 155 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kvx h VAL 156 N 0.00 1.26 -0.89 5.09 2.07 -1.97 -2.56 116.25 119.25 3kvx h VAL 156 Ca 0.00 -0.92 0.17 0.00 0.82 0.00 0.00 66.70 66.77 3kvx h VAL 156 Cb 0.00 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 3kvx h VAL 156 CO 0.00 0.36 0.58 0.40 0.02 0.00 0.00 177.57 178.93 3kvx h ILE 157 N 1.05 0.76 0.00 4.57 2.04 -1.07 -2.64 117.51 122.22 3kvx h ILE 157 Ca 0.22 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3kvx h ILE 157 Cb 0.33 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3kvx h ILE 157 CO -0.00 0.10 -0.14 1.56 0.00 0.00 0.00 178.15 179.67 3kvx h GLN 158 N 0.57 0.00 -7.28 2.37 4.20 -1.72 -3.44 115.11 109.81 3kvx h GLN 158 Ca 0.46 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.65 3kvx h GLN 158 Cb 0.90 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.85 3kvx h GLN 158 CO -0.20 0.14 0.28 -1.64 -0.67 0.00 0.00 178.83 176.73 3kvx s MET 159 N -4.41 1.69 0.62 1.46 -1.94 -1.00 -4.99 119.30 110.73 3kvx s MET 159 Ca -0.03 1.39 -0.19 0.00 -1.71 0.00 0.00 55.69 55.14 3kvx s MET 159 Cb 0.14 -1.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 3kvx s MET 159 CO 0.63 -2.10 1.31 -1.83 -0.01 0.00 0.00 175.02 173.01 3kvx s GLU 160 N -4.71 2.72 -0.19 2.03 1.03 -1.26 -4.90 118.70 113.42 3kvx s GLU 160 Ca 0.65 2.10 -0.29 0.00 0.03 0.00 0.00 54.97 57.45 3kvx s GLU 160 Cb -0.20 -1.95 -0.04 0.00 -0.80 0.00 0.00 34.13 31.14 3kvx s GLU 160 CO 0.56 -1.48 1.78 -1.17 -1.33 0.00 0.00 175.26 173.62 3kvx s LEU 161 N -4.14 3.87 -0.14 1.83 0.20 -1.26 -5.00 118.68 114.04 3kvx s LEU 161 Ca 0.80 1.79 0.02 0.00 0.69 0.00 0.00 54.13 57.43 3kvx s LEU 161 Cb -0.38 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 41.86 3kvx s LEU 161 CO 0.41 -1.38 -0.21 -0.62 -0.29 0.00 0.00 176.35 174.27 3kvx s ASP 162 N 5.06 3.01 0.24 3.68 2.15 -1.26 -4.81 116.67 124.74 3kvx s ASP 162 Ca 0.79 -0.58 -0.05 0.00 0.43 0.00 0.00 52.55 53.14 3kvx s ASP 162 Cb -0.29 -1.39 0.26 0.00 -0.30 0.00 0.00 42.92 41.21 3kvx s ASP 162 CO 0.32 0.07 1.80 0.45 -0.17 0.00 0.00 175.17 177.64 3kvx h HIS 163 N 7.37 1.07 -0.36 -5.34 3.86 -1.98 0.67 115.15 120.43 3kvx h HIS 163 Ca -0.33 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 58.75 3kvx h HIS 163 Cb 1.19 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 3kvx h HIS 163 CO 0.47 0.83 0.04 1.49 0.86 0.00 0.00 177.93 181.63 3kvx h GLU 164 N 1.02 0.61 0.37 2.45 4.81 -1.99 -1.18 114.58 120.66 3kvx h GLU 164 Ca 0.23 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3kvx h GLU 164 Cb 0.24 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kvx h GLU 164 CO -0.01 0.69 -0.18 0.00 -0.73 0.00 0.00 179.01 178.78 3kvx h ARG 165 N 0.44 -0.48 -0.84 1.92 3.08 -1.96 -1.43 114.38 115.12 3kvx h ARG 165 Ca 0.11 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3kvx h ARG 165 Cb 0.39 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 3kvx h ARG 165 CO 0.01 -0.17 0.50 1.98 -1.07 0.00 0.00 179.97 181.21 3kvx h MET 166 N -0.78 0.84 -0.16 0.04 1.85 -0.91 0.68 114.93 116.47 3kvx h MET 166 Ca -0.05 -0.05 -0.18 0.00 -0.61 0.00 0.00 59.70 58.81 3kvx h MET 166 Cb 0.52 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.36 3kvx h MET 166 CO 0.08 0.55 -0.65 0.66 -0.40 0.00 0.00 176.91 177.16 3kvx h SER 167 N 0.86 0.70 0.20 1.39 4.64 -1.13 -0.35 113.55 119.86 3kvx h SER 167 Ca 0.39 -0.41 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3kvx h SER 167 Cb 0.29 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3kvx h SER 167 CO -0.22 1.16 -0.23 0.22 -0.87 0.00 0.00 176.83 176.89 3kvx h TYR 168 N 0.44 -0.62 -0.69 4.77 3.20 -0.90 0.12 116.97 123.30 3kvx h TYR 168 Ca -0.01 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3kvx h TYR 168 Cb 1.23 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.71 3kvx h TYR 168 CO 0.06 -0.34 0.45 -0.07 -1.64 0.00 0.00 178.16 176.61 3kvx h LEU 169 N -0.48 0.77 -0.87 2.82 3.38 -0.55 -2.04 115.31 118.34 3kvx h LEU 169 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3kvx h LEU 169 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kvx h LEU 169 CO -0.08 0.55 -0.13 -0.07 0.09 0.00 0.00 178.44 178.80 3kvx h LEU 170 N 0.91 0.68 0.11 1.67 3.38 -0.93 -1.15 115.31 119.97 3kvx h LEU 170 Ca 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kvx h LEU 170 Cb -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3kvx h LEU 170 CO -0.07 0.84 -0.05 0.22 0.09 0.00 0.00 178.44 179.47 3kvx h TYR 171 N 0.63 -0.13 -0.64 1.13 3.20 -0.58 -0.92 116.97 119.66 3kvx h TYR 171 Ca 0.11 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kvx h TYR 171 Cb 0.59 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3kvx h TYR 171 CO 0.03 -0.05 0.29 1.96 -1.64 0.00 0.00 178.16 178.75 3kvx h GLN 172 N -0.18 0.90 0.07 1.82 4.20 -1.03 -2.97 115.11 117.94 3kvx h GLN 172 Ca -0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kvx h GLN 172 Cb 0.14 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3kvx h GLN 172 CO 0.02 0.71 -0.03 0.52 -0.67 0.00 0.00 178.83 179.38 3kvx h MET 173 N 0.90 -0.09 -0.43 1.46 2.86 -0.88 0.17 114.93 118.92 3kvx h MET 173 Ca 0.22 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3kvx h MET 173 Cb 0.11 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3kvx h MET 173 CO -0.03 0.16 0.00 1.28 1.06 0.00 0.00 176.91 179.38 3kvx n LEU 174 N -5.02 0.00 0.00 1.22 4.77 -0.38 -0.95 117.00 116.64 3kvx n LEU 174 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3kvx n LEU 174 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kvx n LEU 174 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kvx n GLY 176 N 0.54 0.00 0.22 -0.72 0.00 0.05 -0.23 105.19 105.04 3kvx n GLY 176 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3kvx n GLY 176 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kvx h ILE 177 N 0.00 1.29 -0.53 -0.61 2.04 -1.30 -0.46 117.51 117.95 3kvx h ILE 177 Ca 0.00 -1.87 0.10 0.00 1.00 0.00 0.00 64.86 64.09 3kvx h ILE 177 Cb 0.00 1.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 3kvx h ILE 177 CO 0.00 0.59 0.02 0.50 0.00 0.00 0.00 178.15 179.27 3kvx h LYS 178 N 0.49 0.14 -0.58 2.37 3.64 -0.86 -0.35 116.57 121.42 3kvx h LYS 178 Ca -0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3kvx h LYS 178 Cb 1.29 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3kvx h LYS 178 CO 0.14 0.09 0.05 0.45 -2.27 0.00 0.00 179.45 177.91 3kvx h HIS 179 N 0.14 1.02 -0.76 1.91 3.86 -1.75 -0.95 115.15 118.63 3kvx h HIS 179 Ca 0.27 -0.15 0.09 0.00 -1.16 0.00 0.00 60.37 59.43 3kvx h HIS 179 Cb 0.41 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 3kvx h HIS 179 CO -0.31 0.90 0.40 -0.07 0.86 0.00 0.00 177.93 179.71 3kvx h LEU 180 N 0.89 0.55 -0.28 2.43 3.38 0.31 -2.45 115.31 120.15 3kvx h LEU 180 Ca 0.17 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3kvx h LEU 180 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kvx h LEU 180 CO 0.02 0.31 -0.19 0.45 0.09 0.00 0.00 178.44 179.13 3kvx h HIS 181 N 0.68 0.73 -0.90 1.13 3.86 -0.64 0.24 115.15 120.26 3kvx h HIS 181 Ca 0.37 -0.20 0.18 0.00 -1.16 0.00 0.00 60.37 59.57 3kvx h HIS 181 Cb 0.37 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.60 3kvx h HIS 181 CO -0.09 0.89 0.59 0.77 0.86 0.00 0.00 177.93 180.95 3kvx h SER 182 N 0.36 0.51 -0.28 2.45 0.02 -0.90 0.35 113.55 116.06 3kvx h SER 182 Ca 0.06 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kvx h SER 182 Cb 0.72 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3kvx h SER 182 CO 0.05 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 3kvx n ALA 183 N -2.48 2.47 -1.29 3.77 0.00 -0.93 -4.93 120.51 117.13 3kvx n ALA 183 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 53.04 3kvx n ALA 183 Cb 0.61 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 3kvx n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvx n GLY 184 N 1.07 0.45 3.24 0.00 0.00 0.11 -5.03 105.19 105.03 3kvx n GLY 184 Ca 0.13 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 3kvx n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvx s ILE 185 N -2.06 3.25 -0.32 -0.61 1.01 0.03 -4.98 121.20 117.52 3kvx s ILE 185 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3kvx s ILE 185 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3kvx s ILE 185 CO 0.00 0.11 0.15 -0.63 0.00 0.00 0.00 174.94 174.57 3kvx s ILE 186 N 1.37 4.48 -0.01 2.92 1.01 -1.26 -2.72 121.20 126.99 3kvx s ILE 186 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 3kvx s ILE 186 Cb -0.17 -3.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 3kvx s ILE 186 CO -0.02 -0.00 0.70 -0.74 0.00 0.00 0.00 174.94 174.88 3kvx h HIS 187 N 8.35 -0.35 0.00 3.97 2.76 -1.92 -3.43 115.15 124.52 3kvx h HIS 187 Ca -0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3kvx h HIS 187 Cb 1.13 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3kvx h HIS 187 CO 0.62 -0.22 0.00 0.54 -1.30 0.00 0.00 177.93 177.57 3kvx n ARG 188 N -3.64 0.00 -1.24 5.26 1.74 -1.26 -2.14 116.66 115.38 3kvx n ARG 188 Ca -0.05 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3kvx n ARG 188 Cb 0.15 -1.61 0.11 0.00 -1.02 0.00 0.00 32.46 30.09 3kvx n ARG 188 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kvx n ASP 189 N 0.00 1.71 -4.74 0.55 2.03 -1.26 -4.75 116.55 110.09 3kvx n ASP 189 Ca 0.00 -3.02 -0.41 0.00 0.52 0.00 0.00 54.79 51.88 3kvx n ASP 189 Cb 0.00 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 39.93 3kvx n ASP 189 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kvx s LEU 190 N -2.07 4.53 0.14 -2.67 1.43 -1.26 -4.97 118.68 113.82 3kvx s LEU 190 Ca 0.37 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 3kvx s LEU 190 Cb 0.38 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 43.03 3kvx s LEU 190 CO -0.10 -0.10 0.44 -1.59 0.23 0.00 0.00 176.35 175.23 3kvx s LYS 191 N -0.58 1.15 0.55 1.70 -2.85 -1.26 -4.86 119.74 113.59 3kvx s LYS 191 Ca 0.46 -0.74 0.25 0.00 -1.00 0.00 0.00 55.97 54.94 3kvx s LYS 191 Cb -0.28 0.49 1.47 0.00 -2.06 0.00 0.00 37.83 37.45 3kvx s LYS 191 CO 0.34 -0.46 2.06 -1.35 0.10 0.00 0.00 175.35 176.04 3kvx h PRO 192 N 2.31 0.00 -0.00 1.78 0.11 -1.95 -1.88 132.00 132.37 3kvx h PRO 192 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kvx h PRO 192 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kvx h PRO 192 CO 0.44 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 3kvx n SER 193 N -4.19 0.01 -0.78 -2.05 3.41 -1.26 -1.76 113.62 107.00 3kvx n SER 193 Ca 0.04 0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.75 3kvx n SER 193 Cb 0.40 -0.34 0.17 0.00 -0.26 0.00 0.00 64.21 64.18 3kvx n SER 193 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kvx n ASN 194 N -1.35 1.62 -3.92 4.04 0.23 -0.71 -4.93 115.26 110.25 3kvx n ASN 194 Ca 0.12 -3.56 -0.19 0.00 -0.53 0.00 0.00 54.58 50.42 3kvx n ASN 194 Cb 0.27 -0.49 -0.16 0.00 -2.08 0.00 0.00 39.78 37.33 3kvx n ASN 194 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kvx s ILE 195 N -2.68 0.57 0.18 1.53 1.01 -1.20 -1.18 121.20 119.42 3kvx s ILE 195 Ca 0.37 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.91 3kvx s ILE 195 Cb 0.37 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3kvx s ILE 195 CO -0.09 0.21 -0.14 0.68 0.00 0.00 0.00 174.94 175.61 3kvx s VAL 196 N 0.62 1.54 -0.03 2.92 -7.23 0.25 -1.12 120.40 117.36 3kvx s VAL 196 Ca -0.08 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 57.97 3kvx s VAL 196 Cb -0.12 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.92 3kvx s VAL 196 CO 0.00 -0.59 0.08 0.68 -0.31 0.00 0.00 175.10 174.96 3kvx s VAL 197 N -2.89 -0.00 0.64 1.32 -7.23 -0.39 -0.54 120.40 111.31 3kvx s VAL 197 Ca 0.19 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.29 3kvx s VAL 197 Cb -0.01 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.84 3kvx s VAL 197 CO 0.05 0.00 0.96 -1.59 -0.31 0.00 0.00 175.10 174.21 3kvx s LYS 198 N 0.08 2.75 0.61 4.82 -2.85 -0.16 -2.40 119.74 122.60 3kvx s LYS 198 Ca -0.00 0.03 0.32 0.00 -1.00 0.00 0.00 55.97 55.32 3kvx s LYS 198 Cb -0.01 -2.20 1.87 0.00 -2.06 0.00 0.00 37.83 35.43 3kvx s LYS 198 CO -0.00 -0.88 2.22 1.03 0.10 0.00 0.00 175.35 177.82 3kvx h SER 199 N -0.36 0.00 0.00 0.03 0.87 -1.98 -3.34 113.55 108.78 3kvx h SER 199 Ca -0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3kvx h SER 199 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3kvx h SER 199 CO 0.61 0.00 -0.36 -2.24 -0.53 0.00 0.00 176.83 174.31 3kvx h ASP 200 N 0.00 0.00 0.00 6.23 2.03 -2.06 -3.54 116.42 119.09 3kvx h ASP 200 Ca 0.02 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 3kvx h ASP 200 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3kvx h ASP 200 CO -0.00 0.82 0.00 0.35 -1.03 0.00 0.00 179.24 179.38 3kvx n THR 202 N -4.65 0.00 -4.38 1.15 -2.24 -1.25 -5.18 114.28 97.74 3kvx n THR 202 Ca -0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 3kvx n THR 202 Cb 0.27 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 3kvx n THR 202 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kvx s LEU 203 N 0.00 2.10 -0.06 3.22 0.20 -1.26 -0.99 118.68 121.89 3kvx s LEU 203 Ca 0.00 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.46 3kvx s LEU 203 Cb 0.00 -0.53 0.03 0.00 -0.43 0.00 0.00 46.19 45.25 3kvx s LEU 203 CO 0.00 0.06 0.13 -0.54 -0.29 0.00 0.00 176.35 175.71 3kvx s LYS 204 N -0.71 0.11 0.01 1.98 -0.14 0.30 -4.40 119.74 116.89 3kvx s LYS 204 Ca 0.02 0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.60 3kvx s LYS 204 Cb -0.06 -0.08 -0.05 0.00 -1.68 0.00 0.00 37.83 35.96 3kvx s LYS 204 CO 0.00 -0.10 1.29 0.42 -0.76 0.00 0.00 175.35 176.20 3kvx s ILE 205 N 0.70 3.92 0.14 2.17 1.01 -0.47 -0.58 121.20 128.09 3kvx s ILE 205 Ca -0.05 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 3kvx s ILE 205 Cb -0.07 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3kvx s ILE 205 CO -0.03 0.04 1.50 -0.07 0.00 0.00 0.00 174.94 176.38 3kvx h LEU 206 N 7.75 0.94 0.00 2.97 3.38 -1.49 -1.55 115.31 127.30 3kvx h LEU 206 Ca -0.38 -0.42 -0.28 0.00 0.09 0.00 0.00 57.88 56.89 3kvx h LEU 206 Cb 1.19 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3kvx h LEU 206 CO 0.87 1.15 -0.14 -0.90 0.09 0.00 0.00 178.44 179.52 3kvx n ASP 207 N -4.16 -1.45 -0.67 -0.43 5.75 -1.26 -4.71 116.55 109.62 3kvx n ASP 207 Ca -0.01 -2.96 0.13 0.00 -0.01 0.00 0.00 54.79 51.94 3kvx n ASP 207 Cb 0.47 2.69 0.25 0.00 -1.03 0.00 0.00 41.12 43.50 3kvx n ASP 207 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3kvx n PHE 208 N -0.60 0.00 -4.27 2.11 3.72 -1.26 -5.06 117.46 112.10 3kvx n PHE 208 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kvx n PHE 208 Cb 0.61 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3kvx n PHE 208 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kvx n GLY 209 N 1.30 0.15 3.74 1.37 0.00 -1.26 -4.47 105.19 106.02 3kvx n GLY 209 Ca 0.15 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 3kvx n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvx s LEU 210 N 0.00 2.84 0.25 0.99 1.02 -0.91 -5.02 118.68 117.85 3kvx s LEU 210 Ca 0.00 1.85 -0.22 0.00 0.02 0.00 0.00 54.13 55.78 3kvx s LEU 210 Cb 0.00 -4.42 -0.09 0.00 0.02 0.00 0.00 46.19 41.70 3kvx s LEU 210 CO 0.00 -2.39 0.79 0.00 0.02 0.00 0.00 176.35 174.78 3kvx s ALA 211 N -2.85 3.35 0.00 4.21 0.00 -1.26 -4.94 121.76 120.28 3kvx s ALA 211 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3kvx s ALA 211 Cb -0.19 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3kvx s ALA 211 CO 0.57 0.28 0.00 0.54 0.00 0.00 0.00 175.76 177.15 3kvx n ARG 212 N 0.73 0.00 -0.02 0.00 5.12 -1.26 -5.19 116.66 116.04 3kvx n ARG 212 Ca -0.01 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3kvx n ARG 212 Cb 0.51 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.80 3kvx n ARG 212 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3kvx n VAL 225 N 0.00 -0.03 -2.46 1.55 3.14 -1.26 -5.11 118.33 114.17 3kvx n VAL 225 Ca 0.00 0.12 -0.38 0.00 -2.96 0.00 0.00 64.34 61.12 3kvx n VAL 225 Cb 0.00 -0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.59 3kvx n VAL 225 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3kvx s THR 226 N -5.04 3.86 -0.33 1.55 -1.32 -1.26 -4.75 115.64 108.35 3kvx s THR 226 Ca -0.01 -0.88 0.07 0.00 -1.21 0.00 0.00 61.69 59.66 3kvx s THR 226 Cb 0.01 -4.88 0.46 0.00 -1.51 0.00 0.00 72.50 66.58 3kvx s THR 226 CO 0.03 -1.75 1.36 -1.14 -2.21 0.00 0.00 174.62 170.91 3kvx n ARG 227 N 8.78 2.86 0.23 7.08 3.00 -1.26 -4.79 116.66 132.56 3kvx n ARG 227 Ca 0.37 -3.75 0.09 0.00 -0.00 0.00 0.00 57.85 54.57 3kvx n ARG 227 Cb 0.49 -2.10 0.65 0.00 0.00 0.00 0.00 32.46 31.51 3kvx n ARG 227 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3kvx h TYR 228 N 1.76 0.00 -0.02 -0.14 0.99 -1.87 -2.98 116.97 114.71 3kvx h TYR 228 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 3kvx h TYR 228 Cb 1.39 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.12 3kvx h TYR 228 CO 0.95 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 179.77 3kvx n TYR 229 N -4.51 0.02 -2.77 4.88 4.02 -1.26 -4.54 117.16 113.00 3kvx n TYR 229 Ca -0.02 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.90 57.46 3kvx n TYR 229 Cb 0.15 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.40 3kvx n TYR 229 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3kvx s ARG 230 N -0.52 4.57 0.42 -0.72 1.81 -1.13 -4.23 118.95 119.15 3kvx s ARG 230 Ca 0.07 1.33 -0.24 0.00 -1.72 0.00 0.00 55.73 55.17 3kvx s ARG 230 Cb 0.05 -2.78 -0.08 0.00 -0.45 0.00 0.00 34.95 31.68 3kvx s ARG 230 CO 0.07 0.26 1.14 0.00 -0.68 0.00 0.00 175.30 176.09 3kvx s ALA 231 N -1.63 3.08 0.45 2.13 0.00 -1.26 -4.85 121.76 119.68 3kvx s ALA 231 Ca 0.51 0.90 0.26 0.00 0.00 0.00 0.00 51.96 53.63 3kvx s ALA 231 Cb -0.19 -3.36 1.30 0.00 0.00 0.00 0.00 23.12 20.88 3kvx s ALA 231 CO 0.24 -0.50 1.75 -1.35 0.00 0.00 0.00 175.76 175.89 3kvx h PRO 232 N 2.43 0.22 0.00 0.00 0.11 -1.94 0.31 132.00 133.12 3kvx h PRO 232 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kvx h PRO 232 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kvx h PRO 232 CO 0.62 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 3kvx h GLU 233 N 0.22 0.00 0.06 1.05 9.09 -1.90 -3.04 114.58 120.07 3kvx h GLU 233 Ca 0.64 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.78 3kvx h GLU 233 Cb 1.97 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.05 3kvx h GLU 233 CO -0.24 0.00 -1.44 0.28 0.05 0.00 0.00 179.01 177.67 3kvx h VAL 234 N 0.00 0.90 -0.74 -1.06 2.07 -1.27 -2.03 116.25 114.12 3kvx h VAL 234 Ca 0.00 -2.28 0.17 0.00 0.82 0.00 0.00 66.70 65.41 3kvx h VAL 234 Cb 0.53 2.45 -0.12 0.00 -1.52 0.00 0.00 31.29 32.62 3kvx h VAL 234 CO 0.00 0.56 0.04 0.40 0.02 0.00 0.00 177.57 178.59 3kvx h ILE 235 N -0.57 0.38 -0.01 4.57 2.04 -1.48 0.22 117.51 122.66 3kvx h ILE 235 Ca -0.35 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3kvx h ILE 235 Cb 1.58 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3kvx h ILE 235 CO -0.07 0.02 -0.09 0.18 0.00 0.00 0.00 178.15 178.20 3kvx n LEU 236 N -5.31 1.38 -3.99 1.44 4.77 -1.15 -4.94 117.00 109.19 3kvx n LEU 236 Ca 0.13 -0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 55.37 3kvx n LEU 236 Cb 0.46 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3kvx n LEU 236 CO 0.07 0.24 0.02 0.61 -1.33 0.00 0.00 177.39 177.00 3kvx n GLY 237 N 1.24 -0.44 1.33 -0.72 0.00 0.78 -4.80 105.19 102.58 3kvx n GLY 237 Ca 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 3kvx n GLY 237 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3kvx n MET 238 N -4.54 2.53 0.00 1.61 3.85 -0.78 -4.93 117.12 114.86 3kvx n MET 238 Ca -0.01 -3.05 0.00 0.00 -1.00 0.00 0.00 57.70 53.64 3kvx n MET 238 Cb 0.54 -1.93 0.00 0.00 -1.05 0.00 0.00 33.22 30.78 3kvx n MET 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kvx n GLY 239 N -0.78 -2.22 3.17 3.17 0.00 -1.25 -4.99 105.19 102.29 3kvx n GLY 239 Ca 0.34 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3kvx n GLY 239 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kvx s TYR 240 N -3.60 0.14 0.11 1.61 1.13 -1.26 -4.84 117.35 110.65 3kvx s TYR 240 Ca 0.00 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3kvx s TYR 240 Cb 0.00 -0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.78 3kvx s TYR 240 CO 0.00 -0.46 0.03 1.63 -2.51 0.00 0.00 175.55 174.24 3kvx n LYS 241 N 0.40 1.02 0.05 -3.49 5.02 -1.26 -5.06 118.16 114.83 3kvx n LYS 241 Ca -0.17 -0.93 0.01 0.00 -2.02 0.00 0.00 58.31 55.20 3kvx n LYS 241 Cb 0.60 0.45 0.33 0.00 -0.02 0.00 0.00 35.03 36.40 3kvx n LYS 241 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kvx h GLU 242 N 0.00 0.41 -0.03 1.97 4.39 -2.01 -2.76 114.58 116.54 3kvx h GLU 242 Ca -0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3kvx h GLU 242 Cb 0.33 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3kvx h GLU 242 CO 0.14 0.48 0.00 0.27 -1.16 0.00 0.00 179.01 178.74 3kvx n ASN 243 N -4.28 0.03 0.20 1.42 6.94 -1.26 -3.22 115.26 115.09 3kvx n ASN 243 Ca 0.01 -1.23 0.03 0.00 -0.02 0.00 0.00 54.58 53.37 3kvx n ASN 243 Cb 0.25 -0.02 0.39 0.00 -2.36 0.00 0.00 39.78 38.05 3kvx n ASN 243 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3kvx h VAL 244 N 0.00 1.23 0.00 3.53 3.04 -1.89 -2.53 116.25 119.63 3kvx h VAL 244 Ca 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 3kvx h VAL 244 Cb 0.02 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3kvx h VAL 244 CO 0.00 0.32 0.00 0.44 -1.01 0.00 0.00 177.57 177.32 3kvx h ASP 245 N 0.00 0.00 -0.54 3.17 3.32 -1.82 -3.14 116.42 117.41 3kvx h ASP 245 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3kvx h ASP 245 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3kvx h ASP 245 CO 0.04 0.00 0.05 0.40 -1.72 0.00 0.00 179.24 178.01 3kvx h ILE 246 N 0.00 1.26 -0.93 0.35 1.08 -1.69 -2.30 117.51 115.28 3kvx h ILE 246 Ca 0.00 -1.03 0.10 0.00 -0.39 0.00 0.00 64.86 63.54 3kvx h ILE 246 Cb 0.88 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 35.41 3kvx h ILE 246 CO 0.00 0.37 0.57 -0.25 -0.69 0.00 0.00 178.15 178.15 3kvx h TRP 247 N 0.80 1.04 -0.15 1.37 2.91 -1.63 0.27 115.95 120.56 3kvx h TRP 247 Ca 0.16 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.08 3kvx h TRP 247 Cb 0.47 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 3kvx h TRP 247 CO 0.03 0.44 -0.47 0.77 -1.03 0.00 0.00 178.44 178.18 3kvx h SER 248 N 0.94 0.41 -0.42 2.65 0.02 -1.53 -1.66 113.55 113.96 3kvx h SER 248 Ca 0.45 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3kvx h SER 248 Cb 0.40 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3kvx h SER 248 CO -0.25 0.82 0.04 0.58 -1.14 0.00 0.00 176.83 176.88 3kvx h VAL 249 N 0.30 1.25 -0.41 2.27 2.07 -1.02 -1.02 116.25 119.69 3kvx h VAL 249 Ca 0.02 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.67 3kvx h VAL 249 Cb 0.94 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3kvx h VAL 249 CO 0.08 0.33 -0.04 1.23 0.02 0.00 0.00 177.57 179.18 3kvx h GLY 250 N 0.57 0.37 0.89 2.17 0.00 -0.65 0.07 103.07 106.48 3kvx h GLY 250 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3kvx h GLY 250 CO 0.01 -0.13 0.61 0.00 0.00 0.00 0.00 176.54 177.03 3kvx h ILE 252 N 1.18 1.27 -0.26 0.00 2.04 -0.87 -1.15 117.51 119.73 3kvx h ILE 252 Ca 0.37 -1.56 -0.18 0.00 1.00 0.00 0.00 64.86 64.49 3kvx h ILE 252 Cb -0.01 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kvx h ILE 252 CO -0.12 0.52 -0.57 -0.03 0.00 0.00 0.00 178.15 177.96 3kvx h MET 253 N 0.75 0.82 -0.14 2.37 4.05 -0.81 -1.88 114.93 120.09 3kvx h MET 253 Ca 0.06 -0.53 -0.12 0.00 -0.28 0.00 0.00 59.70 58.83 3kvx h MET 253 Cb 0.97 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 3kvx h MET 253 CO 0.09 1.16 -0.44 0.78 0.23 0.00 0.00 176.91 178.73 3kvx h GLY 254 N 0.75 0.36 2.00 1.39 0.00 -0.86 -1.43 103.07 105.28 3kvx h GLY 254 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3kvx h GLY 254 CO 0.12 0.33 -0.32 -2.09 0.00 0.00 0.00 176.54 174.57 3kvx h GLU 255 N 0.27 0.00 0.00 4.80 4.81 -0.92 0.85 114.58 124.39 3kvx h GLU 255 Ca 0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kvx h GLU 255 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3kvx h GLU 255 CO 0.07 0.32 -0.30 0.52 -0.73 0.00 0.00 179.01 178.90 3kvx h MET 256 N 0.00 0.00 0.18 1.92 2.86 -0.44 0.41 114.93 119.86 3kvx h MET 256 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.31 3kvx h MET 256 Cb 0.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.24 3kvx h MET 256 CO 0.04 0.30 -1.59 0.28 1.06 0.00 0.00 176.91 177.01 3kvx h VAL 257 N 0.00 1.04 0.00 -2.22 2.07 -1.05 -3.38 116.25 112.71 3kvx h VAL 257 Ca -0.00 -2.52 -0.06 0.00 0.82 0.00 0.00 66.70 64.94 3kvx h VAL 257 Cb 0.64 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3kvx h VAL 257 CO 0.04 0.81 -1.18 0.54 0.02 0.00 0.00 177.57 177.80 3kvx n ARG 258 N -3.72 0.61 -3.13 1.57 1.74 0.24 -4.92 116.66 109.04 3kvx n ARG 258 Ca -0.23 0.15 -0.22 0.00 -0.77 0.00 0.00 57.85 56.78 3kvx n ARG 258 Cb 1.03 -1.81 0.01 0.00 -1.02 0.00 0.00 32.46 30.67 3kvx n ARG 258 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kvx n HIS 259 N -2.75 -1.85 -3.67 -1.55 8.25 0.14 -4.95 115.22 108.85 3kvx n HIS 259 Ca -0.04 0.46 -0.12 0.00 -0.26 0.00 0.00 57.72 57.77 3kvx n HIS 259 Cb 0.66 -3.69 -0.08 0.00 1.12 0.00 0.00 29.99 27.99 3kvx n HIS 259 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3kvx s LYS 260 N -5.80 0.64 -0.18 -0.41 3.01 -1.24 -5.07 119.74 110.69 3kvx s LYS 260 Ca 0.33 0.90 -0.37 0.00 -1.01 0.00 0.00 55.97 55.81 3kvx s LYS 260 Cb -0.16 0.23 -0.14 0.00 -1.01 0.00 0.00 37.83 36.76 3kvx s LYS 260 CO 0.40 -0.11 1.81 -0.89 0.51 0.00 0.00 175.35 177.08 3kvx n ILE 261 N 3.35 0.44 0.16 2.17 5.41 -1.26 -4.52 119.36 125.11 3kvx n ILE 261 Ca -0.17 -0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.37 3kvx n ILE 261 Cb 0.56 -1.56 -0.06 0.00 -0.71 0.00 0.00 39.64 37.87 3kvx n ILE 261 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kvx h LEU 262 N 8.22 -0.77 -7.13 1.39 3.38 -1.92 -3.36 115.31 115.13 3kvx h LEU 262 Ca -0.47 0.08 -0.64 0.00 0.09 0.00 0.00 57.88 56.94 3kvx h LEU 262 Cb 1.29 0.28 -0.41 0.00 0.09 0.00 0.00 40.66 41.91 3kvx h LEU 262 CO 0.95 -0.39 -0.47 -0.36 0.09 0.00 0.00 178.44 178.26 3kvx s PHE 263 N -6.05 3.65 -1.17 1.13 0.08 -1.26 -5.00 117.98 109.36 3kvx s PHE 263 Ca -0.16 -3.28 -0.12 0.00 0.12 0.00 0.00 56.93 53.49 3kvx s PHE 263 Cb 0.07 -2.82 0.22 0.00 -0.57 0.00 0.00 43.02 39.92 3kvx s PHE 263 CO 0.64 -0.58 1.31 -1.25 -0.10 0.00 0.00 175.22 175.24 3kvx s PRO 264 N -1.45 4.14 0.59 0.24 0.04 -1.26 -4.56 135.00 132.75 3kvx s PRO 264 Ca 0.25 -2.85 -0.14 0.00 0.04 0.00 0.00 61.00 58.30 3kvx s PRO 264 Cb -0.05 -4.86 -0.04 0.00 0.04 0.00 0.00 34.50 29.59 3kvx s PRO 264 CO -0.16 -1.55 1.03 0.20 0.04 0.00 0.00 177.00 176.56 3kvx s GLY 265 N 2.21 1.96 0.00 0.56 0.00 -1.26 -4.98 107.32 105.81 3kvx s GLY 265 Ca 0.38 0.21 0.09 0.00 0.00 0.00 0.00 44.72 45.40 3kvx s GLY 265 CO -0.03 0.51 1.01 0.54 0.00 0.00 0.00 173.10 175.13 3kvx n ARG 266 N -2.18 1.65 -3.67 2.90 3.00 -1.26 -4.87 116.66 112.23 3kvx n ARG 266 Ca 0.07 -1.53 -0.02 0.00 -0.01 0.00 0.00 57.85 56.37 3kvx n ARG 266 Cb 0.53 -1.20 -0.01 0.00 0.00 0.00 0.00 32.46 31.78 3kvx n ARG 266 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3kvx s ASP 267 N -0.89 -0.14 0.25 0.55 1.47 -1.26 -4.97 116.67 111.68 3kvx s ASP 267 Ca 0.15 -0.24 -0.05 0.00 1.18 0.00 0.00 52.55 53.59 3kvx s ASP 267 Cb 0.09 0.33 0.30 0.00 -0.34 0.00 0.00 42.92 43.29 3kvx s ASP 267 CO 0.13 -0.60 1.92 1.88 0.68 0.00 0.00 175.17 179.17 3kvx h TYR 268 N 2.00 1.25 0.36 2.11 0.05 -1.96 -1.36 116.97 119.42 3kvx h TYR 268 Ca -0.25 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.54 3kvx h TYR 268 Cb 1.22 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 38.54 3kvx h TYR 268 CO 0.34 0.75 -0.17 -0.84 -1.05 0.00 0.00 178.16 177.19 3kvx h ILE 269 N 1.32 0.55 -0.08 -2.88 -0.00 -2.00 -3.18 117.51 111.25 3kvx h ILE 269 Ca 0.38 -0.61 0.02 0.00 -0.00 0.00 0.00 64.86 64.66 3kvx h ILE 269 Cb -0.08 0.82 -0.00 0.00 -0.00 0.00 0.00 36.82 37.56 3kvx h ILE 269 CO -0.10 0.10 0.12 -0.78 -0.00 0.00 0.00 178.15 177.49 3kvx h ASP 270 N -0.87 0.00 -0.55 2.16 3.58 -1.92 0.10 116.42 118.92 3kvx h ASP 270 Ca -0.05 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 3kvx h ASP 270 Cb 0.53 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 3kvx h ASP 270 CO 0.08 0.00 -0.08 -0.61 -2.88 0.00 0.00 179.24 175.75 3kvx h GLN 271 N 0.00 1.04 -0.04 0.28 5.75 -1.22 -2.36 115.11 118.55 3kvx h GLN 271 Ca 0.04 -0.37 -0.20 0.00 -0.15 0.00 0.00 58.65 57.97 3kvx h GLN 271 Cb 0.28 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 3kvx h GLN 271 CO -0.00 1.06 -0.83 2.35 -2.65 0.00 0.00 178.83 178.76 3kvx h TRP 272 N 0.93 0.55 -0.27 3.99 2.91 -0.83 -2.67 115.95 120.56 3kvx h TRP 272 Ca 0.15 -0.27 -0.12 0.00 1.13 0.00 0.00 58.89 59.78 3kvx h TRP 272 Cb 0.65 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 3kvx h TRP 272 CO 0.04 1.06 -0.33 -0.91 -1.03 0.00 0.00 178.44 177.27 3kvx h ASN 273 N 0.24 0.59 1.30 2.65 -0.26 -1.55 -0.80 115.58 117.76 3kvx h ASN 273 Ca -0.05 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 3kvx h ASN 273 Cb 1.43 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3kvx h ASN 273 CO 0.14 0.88 -0.08 0.11 -1.06 0.00 0.00 177.43 177.42 3kvx h LYS 274 N 0.49 0.00 0.04 0.81 1.57 -1.23 0.67 116.57 118.93 3kvx h LYS 274 Ca 0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 3kvx h LYS 274 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3kvx h LYS 274 CO 0.07 0.08 -1.06 0.28 -0.57 0.00 0.00 179.45 178.24 3kvx h VAL 275 N 0.00 1.14 -0.28 0.50 2.07 -1.22 -3.29 116.25 115.17 3kvx h VAL 275 Ca -0.00 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.17 3kvx h VAL 275 Cb 0.75 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3kvx h VAL 275 CO 0.01 0.53 -0.03 0.16 0.02 0.00 0.00 177.57 178.26 3kvx h ILE 276 N -0.73 1.27 -1.00 4.57 3.07 -0.93 -1.98 117.51 121.78 3kvx h ILE 276 Ca -0.26 -1.00 0.34 0.00 1.55 0.00 0.00 64.86 65.48 3kvx h ILE 276 Cb 1.42 1.36 -0.15 0.00 -0.27 0.00 0.00 36.82 39.18 3kvx h ILE 276 CO -0.06 0.32 0.57 -0.33 -1.05 0.00 0.00 178.15 177.59 3kvx h GLU 277 N 0.28 0.27 0.13 0.16 4.39 0.18 0.10 114.58 120.10 3kvx h GLU 277 Ca 0.08 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.49 3kvx h GLU 277 Cb 0.48 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3kvx h GLU 277 CO 0.02 0.18 -1.35 1.96 -1.16 0.00 0.00 179.01 178.67 3kvx h GLN 278 N 0.28 0.27 0.00 2.33 4.20 -1.57 -3.35 115.11 117.27 3kvx h GLN 278 Ca 0.75 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3kvx h GLN 278 Cb 1.75 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.71 3kvx h GLN 278 CO -0.63 1.22 -1.02 1.28 -0.67 0.00 0.00 178.83 179.01 3kvx n LEU 279 N -3.92 0.92 0.00 1.46 4.77 -0.77 -0.49 117.00 118.96 3kvx n LEU 279 Ca -0.23 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3kvx n LEU 279 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 3kvx n LEU 279 CO 0.44 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3kvx n GLY 280 N 1.47 0.68 3.68 -0.72 0.00 0.01 -4.64 105.19 105.67 3kvx n GLY 280 Ca 0.03 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3kvx n GLY 280 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kvx n THR 281 N 0.83 2.03 -1.43 2.61 -1.04 0.97 -4.64 114.28 113.61 3kvx n THR 281 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 3kvx n THR 281 Cb 0.00 -1.45 0.08 0.00 -1.82 0.00 0.00 70.33 67.14 3kvx n THR 281 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kvx s PRO 282 N -1.84 2.41 0.61 -2.82 0.02 -1.26 -4.93 135.00 127.19 3kvx s PRO 282 Ca 0.56 0.96 -0.16 0.00 0.02 0.00 0.00 61.00 62.39 3kvx s PRO 282 Cb -0.59 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 3kvx s PRO 282 CO 0.62 -1.48 1.08 0.00 -0.33 0.00 0.00 177.00 176.89 3kvx h PRO 284 N 0.40 0.10 -0.19 0.00 0.11 -1.99 -1.55 132.00 128.87 3kvx h PRO 284 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3kvx h PRO 284 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kvx h PRO 284 CO 0.56 0.07 -0.31 0.93 -0.21 0.00 0.00 178.00 179.03 3kvx h GLU 285 N 0.10 0.38 -0.07 1.05 3.07 -1.99 -1.50 114.58 115.63 3kvx h GLU 285 Ca 0.74 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.43 3kvx h GLU 285 Cb 1.77 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.66 3kvx h GLU 285 CO -0.75 0.66 -0.00 0.35 -1.40 0.00 0.00 179.01 177.87 3kvx h PHE 286 N 0.33 0.13 0.16 4.33 3.57 -1.66 -3.33 116.94 120.47 3kvx h PHE 286 Ca 0.04 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3kvx h PHE 286 Cb 0.72 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 3kvx h PHE 286 CO 0.02 0.39 -0.37 0.52 -2.23 0.00 0.00 178.31 176.64 3kvx h MET 287 N -0.17 -0.60 0.00 1.11 2.86 -1.28 -2.94 114.93 113.91 3kvx h MET 287 Ca 0.02 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3kvx h MET 287 Cb 0.34 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3kvx h MET 287 CO 0.00 -0.40 0.00 1.63 1.06 0.00 0.00 176.91 179.20 3kvx n LYS 288 N -5.45 0.00 -0.06 1.72 4.01 -0.58 -0.51 118.16 117.29 3kvx n LYS 288 Ca -0.07 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.75 3kvx n LYS 288 Cb 0.36 -1.36 0.06 0.00 -0.51 0.00 0.00 35.03 33.57 3kvx n LYS 288 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3kvx n LYS 289 N -0.71 2.08 -3.08 1.97 2.85 -1.11 -4.97 118.16 115.18 3kvx n LYS 289 Ca 0.00 -1.50 -0.39 0.00 -1.05 0.00 0.00 58.31 55.36 3kvx n LYS 289 Cb 0.00 -1.12 -0.05 0.00 -0.65 0.00 0.00 35.03 33.21 3kvx n LYS 289 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kvx s LEU 290 N -0.85 4.36 0.30 -5.58 1.43 0.33 -4.91 118.68 113.76 3kvx s LEU 290 Ca 0.10 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 3kvx s LEU 290 Cb 0.05 -3.06 -0.13 0.00 0.03 0.00 0.00 46.19 43.09 3kvx s LEU 290 CO 0.07 -0.04 1.38 0.00 0.23 0.00 0.00 176.35 177.99 3kvx n GLN 291 N 3.38 2.17 -0.34 1.70 -0.00 -1.26 -4.34 117.38 118.69 3kvx n GLN 291 Ca -0.03 0.77 0.22 0.00 -0.00 0.00 0.00 57.00 57.96 3kvx n GLN 291 Cb 0.51 -2.41 0.44 0.00 -0.00 0.00 0.00 30.24 28.79 3kvx n GLN 291 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3kvx h PRO 292 N 3.45 0.39 0.15 2.61 0.11 -1.99 -0.42 132.00 136.30 3kvx h PRO 292 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kvx h PRO 292 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kvx h PRO 292 CO 0.70 0.25 -0.07 1.15 -0.21 0.00 0.00 178.00 179.82 3kvx h THR 293 N 0.40 0.91 -0.12 -1.15 2.02 -2.03 -3.24 112.91 109.70 3kvx h THR 293 Ca 0.70 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.59 3kvx h THR 293 Cb 1.53 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3kvx h THR 293 CO -0.57 0.05 -0.29 -0.37 0.37 0.00 0.00 175.52 174.71 3kvx h VAL 294 N -0.30 1.25 -0.83 3.16 -1.51 -1.47 -2.91 116.25 113.65 3kvx h VAL 294 Ca -0.02 -1.20 0.13 0.00 -1.23 0.00 0.00 66.70 64.39 3kvx h VAL 294 Cb 0.24 1.49 -0.09 0.00 -2.13 0.00 0.00 31.29 30.80 3kvx h VAL 294 CO 0.03 0.36 0.43 0.08 -1.23 0.00 0.00 177.57 177.24 3kvx h ARG 295 N 0.19 0.62 -0.51 5.19 0.11 -1.24 -2.97 114.38 115.77 3kvx h ARG 295 Ca 0.03 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 3kvx h ARG 295 Cb 0.62 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 3kvx h ARG 295 CO 0.04 0.41 -0.17 -2.95 0.10 0.00 0.00 179.97 177.40 3kvx h ASN 296 N 0.64 1.04 -0.45 0.08 -1.07 -1.55 -2.23 115.58 112.04 3kvx h ASN 296 Ca 0.44 -0.38 -0.02 0.00 0.07 0.00 0.00 56.30 56.41 3kvx h ASN 296 Cb 0.57 -0.28 -0.02 0.00 -2.07 0.00 0.00 38.32 36.51 3kvx h ASN 296 CO -0.34 1.18 0.23 1.88 0.07 0.00 0.00 177.43 180.45 3kvx h TYR 297 N 0.88 0.66 0.00 4.14 -1.99 -1.61 -2.58 116.97 116.48 3kvx h TYR 297 Ca 0.12 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 3kvx h TYR 297 Cb 0.75 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3kvx h TYR 297 CO 0.05 0.49 -0.36 -0.24 -0.00 0.00 0.00 178.16 178.11 3kvx h VAL 298 N 0.68 1.35 -0.62 -2.88 3.04 -1.53 -3.32 116.25 112.96 3kvx h VAL 298 Ca 0.17 -2.14 -0.02 0.00 -1.01 0.00 0.00 66.70 63.70 3kvx h VAL 298 Cb 0.08 2.68 -0.03 0.00 -2.01 0.00 0.00 31.29 32.00 3kvx h VAL 298 CO -0.02 0.46 0.31 -0.33 -1.01 0.00 0.00 177.57 176.97 3kvx h GLU 299 N -1.00 0.87 -0.01 4.17 5.08 -1.48 -2.92 114.58 119.30 3kvx h GLU 299 Ca -0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3kvx h GLU 299 Cb 0.98 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3kvx h GLU 299 CO -0.06 0.67 -0.23 0.09 -1.00 0.00 0.00 179.01 178.48 3kvx n ASN 300 N -4.36 0.86 -4.39 1.42 3.02 -0.97 -4.86 115.26 105.97 3kvx n ASN 300 Ca 0.06 -0.77 -0.29 0.00 -0.03 0.00 0.00 54.58 53.55 3kvx n ASN 300 Cb 0.12 0.08 0.20 0.00 -0.61 0.00 0.00 39.78 39.58 3kvx n ASN 300 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kvx s ARG 301 N -2.52 -0.23 0.87 3.52 3.52 -1.11 -5.02 118.95 117.98 3kvx s ARG 301 Ca 0.25 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 56.05 3kvx s ARG 301 Cb 0.19 -1.68 0.12 0.00 -1.56 0.00 0.00 34.95 32.03 3kvx s ARG 301 CO 0.52 -3.13 1.17 -2.14 -0.81 0.00 0.00 175.30 170.91 3kvx s PRO 302 N -5.09 1.23 -0.09 5.12 0.01 -1.26 -5.02 135.00 129.90 3kvx s PRO 302 Ca 0.67 1.65 -0.22 0.00 0.01 0.00 0.00 61.00 63.11 3kvx s PRO 302 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 34.50 32.57 3kvx s PRO 302 CO 0.57 -2.50 0.65 -1.59 0.01 0.00 0.00 177.00 174.15 3kvx s LYS 303 N -4.43 4.39 -0.07 5.54 0.00 -1.26 -4.99 119.74 118.91 3kvx s LYS 303 Ca 0.70 0.77 -0.02 0.00 0.00 0.00 0.00 55.97 57.41 3kvx s LYS 303 Cb -0.25 -3.46 -0.04 0.00 0.00 0.00 0.00 37.83 34.08 3kvx s LYS 303 CO 0.55 0.04 0.04 0.71 0.00 0.00 0.00 175.35 176.69 3kvx s TYR 304 N 0.92 3.26 -0.08 1.78 2.02 -1.26 -4.97 117.35 119.02 3kvx s TYR 304 Ca 0.34 0.26 0.15 0.00 -0.37 0.00 0.00 57.07 57.44 3kvx s TYR 304 Cb -0.17 -1.80 -0.21 0.00 -0.40 0.00 0.00 41.96 39.38 3kvx s TYR 304 CO 0.15 0.54 0.62 0.00 -1.57 0.00 0.00 175.55 175.29 3kvx n ALA 305 N 1.89 1.62 0.00 3.71 0.00 -1.26 -0.02 120.51 126.45 3kvx n ALA 305 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3kvx n ALA 305 Cb 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3kvx n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvx n GLY 306 N 1.54 -1.69 3.12 0.00 0.00 -1.26 -4.09 105.19 102.81 3kvx n GLY 306 Ca -0.17 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 3kvx n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvx s LEU 307 N 0.00 2.24 0.79 0.99 1.43 0.36 -4.85 118.68 119.64 3kvx s LEU 307 Ca 0.00 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 3kvx s LEU 307 Cb 0.00 -0.40 0.07 0.00 0.03 0.00 0.00 46.19 45.89 3kvx s LEU 307 CO 0.00 -0.09 1.20 0.42 0.23 0.00 0.00 176.35 178.11 3kvx s THR 308 N -1.17 2.13 0.39 5.49 -4.23 -1.26 -4.78 115.64 112.21 3kvx s THR 308 Ca -0.04 0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 3kvx s THR 308 Cb -0.09 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.41 3kvx s THR 308 CO 0.01 -0.04 1.92 -0.26 -0.54 0.00 0.00 174.62 175.71 3kvx h PHE 309 N -0.78 0.23 -0.39 3.99 0.04 -1.96 -0.52 116.94 117.54 3kvx h PHE 309 Ca -0.46 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.30 3kvx h PHE 309 Cb 1.29 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 3kvx h PHE 309 CO 0.47 0.35 0.22 -1.35 -0.60 0.00 0.00 178.31 177.40 3kvx h PRO 310 N 0.21 0.43 0.00 1.51 0.11 -1.93 0.17 132.00 132.51 3kvx h PRO 310 Ca 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kvx h PRO 310 Cb 0.37 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3kvx h PRO 310 CO 0.02 0.29 0.00 0.87 -0.21 0.00 0.00 178.00 178.97 3kvx h LYS 311 N 0.45 0.00 0.01 1.05 6.56 -1.80 -2.16 116.57 120.67 3kvx h LYS 311 Ca 0.16 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.52 3kvx h LYS 311 Cb 0.03 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.66 3kvx h LYS 311 CO -0.09 0.00 -1.17 -0.07 -2.06 0.00 0.00 179.45 176.07 3kvx h LEU 312 N 0.00 0.02 -6.18 2.94 3.38 -0.63 -3.40 115.31 111.43 3kvx h LEU 312 Ca 0.00 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 3kvx h LEU 312 Cb 0.59 -0.01 -0.39 0.00 0.09 0.00 0.00 40.66 40.95 3kvx h LEU 312 CO 0.00 1.02 -1.04 0.49 0.09 0.00 0.00 178.44 178.99 3kvx n PHE 313 N -3.29 -0.60 -0.77 1.13 3.72 0.56 -5.04 117.46 113.17 3kvx n PHE 313 Ca -0.04 -3.45 -0.33 0.00 -0.05 0.00 0.00 57.45 53.59 3kvx n PHE 313 Cb 0.97 -0.06 0.13 0.00 -0.94 0.00 0.00 39.48 39.58 3kvx n PHE 313 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kvx n PRO 314 N 2.08 -0.42 -0.37 -1.08 -0.02 -0.82 -4.67 135.00 129.71 3kvx n PRO 314 Ca 0.25 -0.08 0.28 0.00 -2.02 0.00 0.00 63.50 61.94 3kvx n PRO 314 Cb 0.50 -1.92 0.55 0.00 -0.02 0.00 0.00 33.50 32.61 3kvx n PRO 314 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kvx h ASP 315 N -1.65 0.39 0.51 2.55 3.32 -1.94 -2.83 116.42 116.76 3kvx h ASP 315 Ca -0.44 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3kvx h ASP 315 Cb 1.28 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3kvx h ASP 315 CO 0.36 -0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 176.28 3kvx n SER 316 N -4.73 0.35 0.09 6.45 3.41 -1.26 -1.68 113.62 116.24 3kvx n SER 316 Ca 0.31 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.63 3kvx n SER 316 Cb 1.10 -0.67 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 3kvx n SER 316 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kvx h LEU 317 N 0.00 0.00 -9.40 1.04 3.38 -1.85 -3.47 115.31 105.02 3kvx h LEU 317 Ca 0.00 -0.10 -0.64 0.00 0.09 0.00 0.00 57.88 57.22 3kvx h LEU 317 Cb 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 3kvx h LEU 317 CO 0.00 0.05 -0.69 -0.36 0.09 0.00 0.00 178.44 177.53 3kvx s PHE 318 N -3.27 2.85 0.54 1.13 0.08 -0.68 -4.88 117.98 113.76 3kvx s PHE 318 Ca 0.03 -0.11 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 3kvx s PHE 318 Cb 0.11 -1.45 0.08 0.00 -0.57 0.00 0.00 43.02 41.19 3kvx s PHE 318 CO 0.75 0.47 0.19 -2.30 -0.10 0.00 0.00 175.22 174.23 3kvx n PRO 319 N 0.44 0.09 0.00 0.24 -0.02 -1.26 -4.98 135.00 129.51 3kvx n PRO 319 Ca -0.11 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 3kvx n PRO 319 Cb 0.53 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 3kvx n PRO 319 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvx n ALA 320 N -2.93 0.00 -4.01 3.55 0.00 -1.26 -4.83 120.51 111.03 3kvx n ALA 320 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 3kvx n ALA 320 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 3kvx n ALA 320 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kvx n ASP 321 N 0.00 -2.79 -3.95 0.00 5.75 -1.26 -4.83 116.55 109.47 3kvx n ASP 321 Ca 0.00 -0.84 -0.08 0.00 -0.01 0.00 0.00 54.79 53.86 3kvx n ASP 321 Cb 0.00 -2.33 -0.04 0.00 -1.03 0.00 0.00 41.12 37.72 3kvx n ASP 321 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3kvx s SER 322 N -3.05 -0.15 -0.17 -1.12 0.15 -1.26 -5.04 113.70 103.06 3kvx s SER 322 Ca 0.65 -0.82 0.18 0.00 0.70 0.00 0.00 55.95 56.66 3kvx s SER 322 Cb -0.36 0.63 -0.25 0.00 -1.71 0.00 0.00 66.02 64.33 3kvx s SER 322 CO 0.80 -1.21 0.18 -0.62 1.20 0.00 0.00 173.24 173.59 3kvx n GLU 323 N -0.41 0.68 0.08 5.44 1.02 -1.26 -2.83 120.64 123.36 3kvx n GLU 323 Ca -0.02 0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 3kvx n GLU 323 Cb 0.61 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.38 3kvx n GLU 323 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kvx h HIS 324 N 0.00 -1.49 -0.83 -0.32 2.76 -1.97 0.13 115.15 113.42 3kvx h HIS 324 Ca -0.48 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 3kvx h HIS 324 Cb 2.14 0.65 -0.04 0.00 1.55 0.00 0.00 27.41 31.70 3kvx h HIS 324 CO 0.00 -0.57 0.55 -0.91 -1.30 0.00 0.00 177.93 175.70 3kvx h ASN 325 N -0.69 0.94 0.29 3.26 2.35 -1.88 0.17 115.58 120.01 3kvx h ASN 325 Ca 0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kvx h ASN 325 Cb 0.73 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3kvx h ASN 325 CO -0.33 0.68 -0.23 0.11 -1.65 0.00 0.00 177.43 176.01 3kvx h LYS 326 N 1.11 -0.50 -0.05 0.81 6.56 -1.46 -0.37 116.57 122.67 3kvx h LYS 326 Ca 0.31 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.97 3kvx h LYS 326 Cb -0.10 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.62 3kvx h LYS 326 CO -0.08 -0.33 -0.25 1.25 -2.06 0.00 0.00 179.45 177.98 3kvx h LEU 327 N -0.52 -0.75 -0.16 2.94 5.85 -0.31 -2.70 115.31 119.65 3kvx h LEU 327 Ca -0.02 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kvx h LEU 327 Cb 0.46 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 3kvx h LEU 327 CO -0.01 -0.31 -0.13 0.11 -0.34 0.00 0.00 178.44 177.75 3kvx h LYS 328 N -0.36 -0.14 -0.57 1.25 1.79 -0.61 -0.18 116.57 117.76 3kvx h LYS 328 Ca 0.08 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.67 3kvx h LYS 328 Cb 0.47 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 31.04 3kvx h LYS 328 CO -0.26 -0.09 -0.13 0.00 -1.08 0.00 0.00 179.45 177.89 3kvx h ALA 329 N 0.96 0.39 0.01 3.86 0.00 -1.06 0.20 119.26 123.61 3kvx h ALA 329 Ca 0.10 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3kvx h ALA 329 Cb 0.30 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3kvx h ALA 329 CO -0.25 -0.43 -0.40 0.77 0.00 0.00 0.00 179.25 178.93 3kvx h SER 330 N 0.01 -1.23 -0.32 0.00 0.02 -1.08 -1.77 113.55 109.18 3kvx h SER 330 Ca 0.28 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3kvx h SER 330 Cb 0.42 0.48 -0.07 0.00 0.14 0.00 0.00 62.40 63.38 3kvx h SER 330 CO -0.58 -0.45 -0.11 1.56 -1.14 0.00 0.00 176.83 176.11 3kvx h GLN 331 N -0.56 -0.05 -0.40 3.45 4.20 0.82 -1.84 115.11 120.73 3kvx h GLN 331 Ca 0.05 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.84 3kvx h GLN 331 Cb 0.64 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 3kvx h GLN 331 CO -0.31 -0.03 -0.31 0.00 -0.67 0.00 0.00 178.83 177.52 3kvx h ALA 332 N 1.24 -0.13 0.00 3.87 0.00 -0.66 -1.08 119.26 122.50 3kvx h ALA 332 Ca 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kvx h ALA 332 Cb 0.29 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kvx h ALA 332 CO -0.36 -0.70 -0.15 0.00 0.00 0.00 0.00 179.25 178.05 3kvx h ARG 333 N -0.23 0.00 0.21 0.00 3.08 -1.10 0.17 114.38 116.50 3kvx h ARG 333 Ca 0.18 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.93 3kvx h ARG 333 Cb 0.52 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.60 3kvx h ARG 333 CO -0.53 0.15 -1.38 0.22 -1.07 0.00 0.00 179.97 177.36 3kvx h ASP 334 N 0.00 0.70 -0.25 7.04 3.58 -0.84 -2.61 116.42 124.04 3kvx h ASP 334 Ca -0.00 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.53 3kvx h ASP 334 Cb 0.54 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3kvx h ASP 334 CO 0.02 1.65 0.16 0.25 -2.88 0.00 0.00 179.24 178.44 3kvx h LEU 335 N -0.01 0.27 -0.70 2.28 5.85 -0.80 -1.97 115.31 120.23 3kvx h LEU 335 Ca -0.25 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.61 3kvx h LEU 335 Cb 2.02 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.87 3kvx h LEU 335 CO 0.22 0.20 0.13 -0.07 -0.34 0.00 0.00 178.44 178.58 3kvx h LEU 336 N 0.33 -0.06 -1.28 2.25 3.38 -0.75 0.30 115.31 119.48 3kvx h LEU 336 Ca 0.09 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3kvx h LEU 336 Cb -0.03 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kvx h LEU 336 CO -0.02 -0.06 -0.09 0.77 0.09 0.00 0.00 178.44 179.13 3kvx h SER 337 N 0.23 0.00 0.78 -0.43 4.64 -1.02 -0.21 113.55 117.55 3kvx h SER 337 Ca 0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 3kvx h SER 337 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 3kvx h SER 337 CO -0.51 0.09 -1.32 0.11 -0.87 0.00 0.00 176.83 174.33 3kvx h LYS 338 N 0.00 0.00 0.04 4.77 1.57 -0.27 -3.39 116.57 119.30 3kvx h LYS 338 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3kvx h LYS 338 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3kvx h LYS 338 CO 0.01 0.33 -1.66 0.52 -0.57 0.00 0.00 179.45 178.09 3kvx h MET 339 N 0.00 0.09 -3.00 3.15 2.86 0.25 -2.38 114.93 115.90 3kvx h MET 339 Ca -0.15 -0.16 -0.79 0.00 -2.06 0.00 0.00 59.70 56.55 3kvx h MET 339 Cb 1.59 0.06 -0.23 0.00 0.06 0.00 0.00 31.60 33.08 3kvx h MET 339 CO 0.05 0.78 1.33 1.28 1.06 0.00 0.00 176.91 181.41 3kvx n LEU 340 N -3.23 6.73 -3.90 1.22 4.77 -0.24 -4.28 117.00 118.08 3kvx n LEU 340 Ca -0.18 -5.03 -0.20 0.00 -0.03 0.00 0.00 56.01 50.57 3kvx n LEU 340 Cb 1.04 -1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 40.63 3kvx n LEU 340 CO 0.46 1.66 -0.41 -0.69 -1.33 0.00 0.00 177.39 177.08 3kvx s VAL 341 N -1.85 0.55 0.00 4.08 1.01 -1.26 -4.89 120.40 118.04 3kvx s VAL 341 Ca 0.36 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 3kvx s VAL 341 Cb 0.09 -0.57 -0.17 0.00 0.00 0.00 0.00 36.38 35.74 3kvx s VAL 341 CO 0.04 0.22 1.24 0.40 0.00 0.00 0.00 175.10 177.00 3kvx h ILE 342 N 6.10 0.81 -2.92 2.22 2.04 -1.97 -3.41 117.51 120.38 3kvx h ILE 342 Ca -0.38 -0.67 -0.57 0.00 1.00 0.00 0.00 64.86 64.24 3kvx h ILE 342 Cb 1.16 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3kvx h ILE 342 CO 0.48 0.14 1.11 -0.62 0.00 0.00 0.00 178.15 179.25 3kvx s ASP 343 N -5.19 6.36 0.63 1.72 -1.08 -1.26 -4.71 116.67 113.14 3kvx s ASP 343 Ca -0.14 1.35 0.35 0.00 -0.52 0.00 0.00 52.55 53.59 3kvx s ASP 343 Cb 0.02 -2.53 2.00 0.00 -1.46 0.00 0.00 42.92 40.95 3kvx s ASP 343 CO 0.56 -1.32 2.22 1.55 0.52 0.00 0.00 175.17 178.70 3kvx h PRO 344 N 10.75 0.00 0.00 4.34 0.13 -1.96 0.18 132.00 145.44 3kvx h PRO 344 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3kvx h PRO 344 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kvx h PRO 344 CO 1.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 3kvx h ALA 345 N 1.86 1.00 -0.05 -0.56 0.00 -1.95 -2.83 119.26 116.72 3kvx h ALA 345 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvx h ALA 345 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kvx h ALA 345 CO -0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 3kvx n LYS 346 N -2.80 1.25 -3.66 0.00 2.85 0.62 -5.02 118.16 111.41 3kvx n LYS 346 Ca 0.02 -1.48 -0.37 0.00 -1.05 0.00 0.00 58.31 55.44 3kvx n LYS 346 Cb 0.35 -1.30 -0.06 0.00 -0.65 0.00 0.00 35.03 33.37 3kvx n LYS 346 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 3kvx s ARG 347 N -1.26 3.87 0.48 -1.58 3.52 -1.07 -5.02 118.95 117.89 3kvx s ARG 347 Ca 0.19 0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.64 3kvx s ARG 347 Cb 0.13 -3.29 -0.08 0.00 -1.56 0.00 0.00 34.95 30.16 3kvx s ARG 347 CO 0.19 0.56 1.12 1.51 -0.81 0.00 0.00 175.30 177.87 3kvx n ILE 348 N 2.52 2.98 -2.27 4.11 3.06 -0.90 -5.01 119.36 123.85 3kvx n ILE 348 Ca -0.16 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.33 3kvx n ILE 348 Cb 0.53 -1.34 0.05 0.00 0.54 0.00 0.00 39.64 39.42 3kvx n ILE 348 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3kvx s SER 349 N -0.83 5.22 0.12 9.51 1.04 -1.26 -4.90 113.70 122.59 3kvx s SER 349 Ca 0.67 0.62 -0.23 0.00 0.48 0.00 0.00 55.95 57.50 3kvx s SER 349 Cb -0.49 -1.44 -0.06 0.00 0.10 0.00 0.00 66.02 64.13 3kvx s SER 349 CO 0.54 -1.33 1.69 0.58 0.98 0.00 0.00 173.24 175.69 3kvx h VAL 350 N -0.41 0.71 -0.89 5.02 2.07 -1.95 0.12 116.25 120.93 3kvx h VAL 350 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3kvx h VAL 350 Cb 1.28 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3kvx h VAL 350 CO 0.61 0.00 0.54 0.44 0.02 0.00 0.00 177.57 179.17 3kvx h ASP 351 N -0.15 0.78 0.69 0.57 3.32 -1.96 -1.58 116.42 118.11 3kvx h ASP 351 Ca 0.06 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3kvx h ASP 351 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kvx h ASP 351 CO -0.16 0.44 -0.80 0.44 -1.72 0.00 0.00 179.24 177.44 3kvx h ASP 352 N 0.89 0.10 -0.08 6.45 3.32 -1.87 -2.53 116.42 122.70 3kvx h ASP 352 Ca 0.43 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3kvx h ASP 352 Cb 0.38 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3kvx h ASP 352 CO -0.25 0.86 -0.21 0.00 -1.72 0.00 0.00 179.24 177.92 3kvx h ALA 353 N 1.14 1.15 0.00 3.45 0.00 -0.25 -1.57 119.26 123.18 3kvx h ALA 353 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3kvx h ALA 353 Cb 1.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kvx h ALA 353 CO 0.11 0.53 -0.39 -0.07 0.00 0.00 0.00 179.25 179.44 3kvx h LEU 354 N 0.43 0.00 -0.31 0.00 3.38 -1.10 -2.18 115.31 115.54 3kvx h LEU 354 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kvx h LEU 354 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kvx h LEU 354 CO 0.04 0.39 -0.10 0.00 0.09 0.00 0.00 178.44 178.86 3kvx n GLN 355 N -3.82 0.83 -2.06 1.13 1.13 -0.66 -3.67 117.38 110.27 3kvx n GLN 355 Ca -0.01 -0.31 -0.40 0.00 -1.94 0.00 0.00 57.00 54.33 3kvx n GLN 355 Cb 0.45 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.30 3kvx n GLN 355 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3kvx s HIS 356 N -2.39 2.93 0.56 1.08 2.46 -0.79 -4.65 115.29 114.50 3kvx s HIS 356 Ca 0.31 1.38 0.25 0.00 0.47 0.00 0.00 55.06 57.46 3kvx s HIS 356 Cb 0.20 -3.73 1.59 0.00 -0.13 0.00 0.00 32.58 30.51 3kvx s HIS 356 CO 0.45 -2.08 2.19 -1.35 -2.47 0.00 0.00 174.74 171.48 3kvx h PRO 357 N 3.20 0.00 -0.02 2.88 0.11 -1.91 0.29 132.00 136.54 3kvx h PRO 357 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3kvx h PRO 357 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kvx h PRO 357 CO 0.65 0.00 -0.23 -0.92 -0.21 0.00 0.00 178.00 177.29 3kvx h TYR 358 N 0.00 0.04 0.00 0.65 3.20 -1.90 -3.36 116.97 115.60 3kvx h TYR 358 Ca 0.02 -0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.56 3kvx h TYR 358 Cb 0.12 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3kvx h TYR 358 CO 0.00 0.27 -2.25 -0.89 -1.64 0.00 0.00 178.16 173.64 3kvx n ILE 359 N -4.25 1.26 0.29 1.81 2.08 -0.06 -4.76 119.36 115.73 3kvx n ILE 359 Ca -0.02 -0.56 0.12 0.00 0.56 0.00 0.00 62.75 62.85 3kvx n ILE 359 Cb 0.29 -1.09 0.54 0.00 -0.75 0.00 0.00 39.64 38.64 3kvx n ILE 359 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3kvx n ASN 360 N -3.02 0.64 0.16 4.38 0.23 -0.34 -1.87 115.26 115.44 3kvx n ASN 360 Ca -0.37 0.71 0.12 0.00 -0.53 0.00 0.00 54.58 54.52 3kvx n ASN 360 Cb 0.96 -0.83 0.58 0.00 -2.08 0.00 0.00 39.78 38.41 3kvx n ASN 360 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3kvx n VAL 361 N -2.27 0.95 1.23 3.53 0.24 -1.26 -1.20 118.33 119.55 3kvx n VAL 361 Ca 0.00 0.59 0.13 0.00 -2.04 0.00 0.00 64.34 63.03 3kvx n VAL 361 Cb 0.14 -1.58 0.32 0.00 -1.47 0.00 0.00 33.84 31.25 3kvx n VAL 361 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3kvx n TRP 362 N -2.29 0.00 -1.71 6.34 7.02 -0.78 -4.96 117.44 121.06 3kvx n TRP 362 Ca -0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.07 3kvx n TRP 362 Cb 0.09 -0.07 0.02 0.00 -2.42 0.00 0.00 31.31 28.93 3kvx n TRP 362 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3kvx n TYR 363 N -0.30 2.15 -3.60 -5.99 9.36 -0.34 -4.98 117.16 113.46 3kvx n TYR 363 Ca 0.13 0.48 -0.29 0.00 3.32 0.00 0.00 57.90 61.54 3kvx n TYR 363 Cb 0.38 -2.37 -0.13 0.00 -0.63 0.00 0.00 39.34 36.59 3kvx n TYR 363 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kvx s ASP 364 N -0.59 3.48 -0.45 2.98 -1.08 -1.26 -5.04 116.67 114.71 3kvx s ASP 364 Ca 0.63 -2.05 -0.04 0.00 -0.52 0.00 0.00 52.55 50.56 3kvx s ASP 364 Cb -0.49 -0.67 -0.15 0.00 -1.46 0.00 0.00 42.92 40.15 3kvx s ASP 364 CO 0.57 -0.34 1.39 -2.65 0.52 0.00 0.00 175.17 174.65 3kvx n PRO 365 N 4.26 0.00 0.00 4.34 -0.02 -1.26 0.10 135.00 142.42 3kvx n PRO 365 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3kvx n PRO 365 Cb 0.38 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 3kvx n PRO 365 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvx n ALA 366 N 4.37 0.00 0.00 3.55 0.00 -1.26 -5.35 120.51 121.82 3kvx n ALA 366 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3kvx n ALA 366 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3kvx n ALA 366 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kvx n GLU 367 N 0.00 0.00 0.00 0.00 -0.58 0.28 -5.31 120.64 115.04 3kvx n GLU 367 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kvx n GLU 367 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kvx n GLU 367 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kvx n GLU 382 N 0.00 0.00 -1.58 3.49 -0.58 -1.26 -4.91 120.64 115.81 3kvx n GLU 382 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 3kvx n GLU 382 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 3kvx n GLU 382 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kvx n ARG 383 N -0.06 0.86 -3.57 3.49 1.74 -1.26 -5.05 116.66 112.81 3kvx n ARG 383 Ca 0.00 0.35 -0.37 0.00 -0.77 0.00 0.00 57.85 57.06 3kvx n ARG 383 Cb 0.00 -2.38 -0.06 0.00 -1.02 0.00 0.00 32.46 29.00 3kvx n ARG 383 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kvx s GLU 384 N -3.29 3.82 0.20 5.56 2.12 -1.26 -5.06 118.70 120.78 3kvx s GLU 384 Ca 0.79 0.29 0.05 0.00 0.36 0.00 0.00 54.97 56.46 3kvx s GLU 384 Cb -0.37 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3kvx s GLU 384 CO 0.44 0.68 -0.07 -1.01 -0.54 0.00 0.00 175.26 174.76 3kvx s HIS 385 N -1.13 1.52 0.56 5.30 3.76 -1.26 -5.14 115.29 118.90 3kvx s HIS 385 Ca 0.24 -0.77 -0.20 0.00 -0.15 0.00 0.00 55.06 54.18 3kvx s HIS 385 Cb -0.16 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.68 3kvx s HIS 385 CO 0.13 0.12 1.19 0.95 -0.85 0.00 0.00 174.74 176.28 3kvx s THR 386 N -3.25 2.78 0.29 1.30 -4.23 -1.26 -4.81 115.64 106.46 3kvx s THR 386 Ca 0.23 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 3kvx s THR 386 Cb 0.03 -3.22 0.38 0.00 1.34 0.00 0.00 72.50 71.04 3kvx s THR 386 CO 0.06 -0.08 1.46 -0.38 -0.54 0.00 0.00 174.62 175.13 3kvx n ILE 387 N -1.32 -0.39 -0.02 2.99 5.41 -1.26 -0.24 119.36 124.53 3kvx n ILE 387 Ca 0.12 2.03 -0.17 0.00 1.00 0.00 0.00 62.75 65.72 3kvx n ILE 387 Cb 0.49 -2.99 -0.08 0.00 -0.71 0.00 0.00 39.64 36.35 3kvx n ILE 387 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3kvx h GLU 388 N 0.00 0.72 -0.31 0.38 5.08 -1.91 -0.81 114.58 117.74 3kvx h GLU 388 Ca 0.59 -0.60 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3kvx h GLU 388 Cb 1.26 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3kvx h GLU 388 CO -0.86 1.21 -0.20 1.49 -1.00 0.00 0.00 179.01 179.65 3kvx h GLU 389 N 0.42 0.57 -0.31 2.33 4.57 -1.81 -1.02 114.58 119.32 3kvx h GLU 389 Ca -0.05 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 3kvx h GLU 389 Cb 1.36 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3kvx h GLU 389 CO 0.15 0.74 0.12 -1.49 -1.18 0.00 0.00 179.01 177.34 3kvx h TRP 390 N 0.51 0.47 -0.77 0.92 -0.00 -0.15 -0.81 115.95 116.12 3kvx h TRP 390 Ca 0.08 -0.04 0.10 0.00 -0.00 0.00 0.00 58.89 59.03 3kvx h TRP 390 Cb 0.63 -0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 29.58 3kvx h TRP 390 CO 0.02 0.46 0.42 -0.22 -0.00 0.00 0.00 178.44 179.12 3kvx h LYS 391 N 0.35 0.68 0.59 0.49 3.64 -0.92 0.08 116.57 121.48 3kvx h LYS 391 Ca 0.10 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3kvx h LYS 391 Cb 0.19 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3kvx h LYS 391 CO -0.01 0.45 -0.29 0.93 -2.27 0.00 0.00 179.45 178.26 3kvx h GLU 392 N 0.70 -0.77 -0.45 1.90 5.08 -0.82 0.16 114.58 120.38 3kvx h GLU 392 Ca 0.38 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.88 3kvx h GLU 392 Cb 0.38 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 3kvx h GLU 392 CO -0.26 -0.47 -0.28 -0.07 -1.00 0.00 0.00 179.01 176.92 3kvx h LEU 393 N -0.91 -0.96 -0.88 1.33 3.38 -1.16 -0.24 115.31 115.88 3kvx h LEU 393 Ca -0.08 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3kvx h LEU 393 Cb 0.65 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3kvx h LEU 393 CO 0.13 -0.29 -0.26 0.40 0.09 0.00 0.00 178.44 178.51 3kvx h ILE 394 N -0.19 1.27 -0.24 1.22 2.04 -0.73 -2.12 117.51 118.77 3kvx h ILE 394 Ca 0.20 -1.31 -0.16 0.00 1.00 0.00 0.00 64.86 64.59 3kvx h ILE 394 Cb 0.51 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3kvx h ILE 394 CO -0.56 0.42 -0.49 0.22 0.00 0.00 0.00 178.15 177.74 3kvx h TYR 395 N 0.46 0.95 -0.41 1.37 3.20 0.18 -0.10 116.97 122.62 3kvx h TYR 395 Ca 0.06 -0.35 -0.09 0.00 3.14 0.00 0.00 58.73 61.49 3kvx h TYR 395 Cb 0.70 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3kvx h TYR 395 CO 0.03 1.14 -0.13 0.87 -1.64 0.00 0.00 178.16 178.42 3kvx h LYS 396 N 0.48 0.74 -0.55 1.82 1.79 -1.00 -1.58 116.57 118.27 3kvx h LYS 396 Ca 0.01 -0.25 0.03 0.00 -2.18 0.00 0.00 60.65 58.25 3kvx h LYS 396 Cb 1.09 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 3kvx h LYS 396 CO 0.11 0.84 0.33 0.93 -1.08 0.00 0.00 179.45 180.58 3kvx h GLU 397 N 0.67 0.62 -0.67 3.15 4.39 -0.83 -2.50 114.58 119.41 3kvx h GLU 397 Ca 0.11 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.79 3kvx h GLU 397 Cb 0.61 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 3kvx h GLU 397 CO 0.04 0.41 0.43 0.28 -1.16 0.00 0.00 179.01 179.01 3kvx h VAL 398 N 0.64 1.12 0.00 3.13 2.07 -0.50 -2.24 116.25 120.47 3kvx h VAL 398 Ca 0.23 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kvx h VAL 398 Cb 0.04 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3kvx h VAL 398 CO -0.11 0.16 0.00 0.24 0.02 0.00 0.00 177.57 177.88 3kvx h MET 399 N 0.85 0.00 -6.35 1.57 2.86 -1.25 -3.42 114.93 109.19 3kvx h MET 399 Ca 0.26 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.44 3kvx h MET 399 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3kvx h MET 399 CO -0.08 0.00 -0.32 -0.80 1.06 0.00 0.00 176.91 176.76 3kvx s ASN 400 N -4.88 6.15 0.00 1.22 -0.87 -0.84 -5.09 114.94 110.62 3kvx s ASN 400 Ca 0.00 0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 3kvx s ASN 400 Cb 0.09 -1.66 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 3kvx s ASN 400 CO 0.42 -0.29 0.17 -1.20 -2.57 0.00 0.00 177.10 173.63