#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd3 n ASP 49 N 0.00 2.11 0.20 4.39 8.00 -1.26 -4.00 116.55 125.99 2kd3 n ASP 49 Ca 0.00 -2.21 0.06 0.00 0.71 0.00 0.00 54.79 53.35 2kd3 n ASP 49 Cb 0.00 -0.45 0.39 0.00 -0.02 0.00 0.00 41.12 41.04 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2kd3 h VAL 50 N 1.21 0.92 -0.00 2.53 2.07 -2.02 -2.44 116.25 118.52 2kd3 h VAL 50 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2kd3 h VAL 50 Cb 0.78 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2kd3 h VAL 50 CO 0.11 0.34 -0.03 -1.54 0.02 0.00 0.00 177.57 176.47 2kd3 n SER 51 N -3.65 0.04 0.15 0.57 3.41 -1.26 -3.13 113.62 109.75 2kd3 n SER 51 Ca -0.01 0.30 0.03 0.00 -0.26 0.00 0.00 58.87 58.93 2kd3 n SER 51 Cb 0.45 -0.40 0.41 0.00 -0.26 0.00 0.00 64.21 64.41 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2kd3 h GLU 52 N 0.02 0.17 0.00 4.33 4.39 -1.72 -3.00 114.58 118.76 2kd3 h GLU 52 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kd3 h GLU 52 Cb 0.45 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kd3 h GLU 52 CO 0.00 0.34 -0.73 2.48 -1.16 0.00 0.00 179.01 179.94 2kd3 n TYR 53 N -4.26 0.00 -2.37 4.33 0.18 -1.23 -5.01 117.16 108.79 2kd3 n TYR 53 Ca -0.01 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.43 2kd3 n TYR 53 Cb 0.28 -0.05 -0.02 0.00 -0.38 0.00 0.00 39.34 39.18 2kd3 n TYR 53 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2kd3 s SER 54 N -2.34 6.04 -0.19 9.48 0.01 -1.14 -4.05 113.70 121.52 2kd3 s SER 54 Ca 0.03 2.00 0.18 0.00 1.31 0.00 0.00 55.95 59.47 2kd3 s SER 54 Cb 0.09 -2.56 -0.26 0.00 0.21 0.00 0.00 66.02 63.50 2kd3 s SER 54 CO 0.48 -0.99 0.11 0.00 0.41 0.00 0.00 173.24 173.25 2kd3 s ARG 56 N -2.57 1.13 -0.68 0.00 3.03 -1.26 -5.00 118.95 113.60 2kd3 s ARG 56 Ca -0.10 -0.66 -0.26 0.00 2.03 0.00 0.00 55.73 56.74 2kd3 s ARG 56 Cb 0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 34.95 34.46 2kd3 s ARG 56 CO 0.84 -0.46 1.83 -1.21 -1.13 0.00 0.00 175.30 175.17 2kd3 s GLU 57 N -3.79 2.66 -0.18 3.89 0.41 -1.26 -4.95 118.70 115.49 2kd3 s GLU 57 Ca 0.03 0.36 -0.04 0.00 -0.41 0.00 0.00 54.97 54.91 2kd3 s GLU 57 Cb 0.01 -4.51 -0.02 0.00 -1.78 0.00 0.00 34.13 27.82 2kd3 s GLU 57 CO -0.12 -2.81 -0.02 -0.48 -0.49 0.00 0.00 175.26 171.34 2kd3 s LEU 58 N 8.98 3.23 -0.29 1.80 0.05 -1.26 -5.04 118.68 126.15 2kd3 s LEU 58 Ca 0.65 -0.18 0.02 0.00 0.05 0.00 0.00 54.13 54.67 2kd3 s LEU 58 Cb -0.11 -1.80 0.20 0.00 -2.05 0.00 0.00 46.19 42.43 2kd3 s LEU 58 CO 0.16 0.11 0.70 -1.00 -0.55 0.00 0.00 176.35 175.77 2kd3 s HIS 59 N 0.70 -1.53 0.18 3.48 3.76 -1.26 -4.71 115.29 115.90 2kd3 s HIS 59 Ca -0.01 0.92 0.08 0.00 -0.15 0.00 0.00 55.06 55.89 2kd3 s HIS 59 Cb -0.14 0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.78 2kd3 s HIS 59 CO 0.02 -0.89 -0.15 1.52 -0.85 0.00 0.00 174.74 174.39 2kd3 s TYR 60 N 2.86 1.69 -0.62 1.40 1.13 -1.12 -4.99 117.35 117.70 2kd3 s TYR 60 Ca 0.14 -0.54 -0.10 0.00 -1.41 0.00 0.00 57.07 55.16 2kd3 s TYR 60 Cb -0.08 -0.82 0.16 0.00 -1.10 0.00 0.00 41.96 40.12 2kd3 s TYR 60 CO -0.25 0.31 0.51 0.95 -2.51 0.00 0.00 175.55 174.56 2kd3 s THR 61 N -2.57 4.65 -0.15 -3.49 -4.23 -1.26 -1.75 115.64 106.84 2kd3 s THR 61 Ca 0.18 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2kd3 s THR 61 Cb -0.03 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2kd3 s THR 61 CO 0.06 -0.88 -0.16 -0.60 -0.54 0.00 0.00 174.62 172.49 2kd3 s ARG 62 N 0.74 3.18 0.00 3.99 3.52 -1.26 -4.98 118.95 124.14 2kd3 s ARG 62 Ca 0.11 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2kd3 s ARG 62 Cb -0.21 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2kd3 s ARG 62 CO -0.03 0.00 0.00 1.19 -0.81 0.00 0.00 175.30 175.65 2kd3 n PHE 63 N 4.09 0.00 -3.64 5.12 3.01 -1.26 -4.83 117.46 119.96 2kd3 n PHE 63 Ca -0.19 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.19 2kd3 n PHE 63 Cb 0.52 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2kd3 s LEU 64 N -2.21 -0.32 -0.03 4.37 2.34 -1.26 -4.82 118.68 116.75 2kd3 s LEU 64 Ca 0.00 0.60 0.02 0.00 0.06 0.00 0.00 54.13 54.81 2kd3 s LEU 64 Cb 0.00 1.65 0.01 0.00 -0.56 0.00 0.00 46.19 47.29 2kd3 s LEU 64 CO 0.00 -0.13 -0.06 0.42 -1.06 0.00 0.00 176.35 175.53 2kd3 s THR 65 N 0.02 0.55 0.00 5.48 -4.23 -1.26 -0.92 115.64 115.28 2kd3 s THR 65 Ca 0.04 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 2kd3 s THR 65 Cb -0.04 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.27 2kd3 s THR 65 CO -0.08 0.20 0.00 -0.67 -0.54 0.00 0.00 174.62 173.53 2kd3 n ASP 66 N 3.61 0.00 -2.40 3.99 -0.08 -1.04 -5.05 116.55 115.59 2kd3 n ASP 66 Ca -0.21 -0.23 -0.23 0.00 -1.51 0.00 0.00 54.79 52.61 2kd3 n ASP 66 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kd3 n GLY 67 N 0.00 -1.65 0.00 0.27 0.00 -1.26 -2.75 105.19 99.80 2kd3 n GLY 67 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kd3 n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kd3 n PRO 68 N 0.79 0.00 -3.53 1.61 -0.02 -1.26 -4.58 135.00 128.01 2kd3 n PRO 68 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.39 2kd3 n PRO 68 Cb 0.24 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.67 2kd3 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 s ARG 70 N -1.34 0.14 0.63 0.00 3.52 0.40 -2.49 118.95 119.80 2kd3 s ARG 70 Ca -0.07 0.60 -0.14 0.00 -0.13 0.00 0.00 55.73 55.99 2kd3 s ARG 70 Cb -0.00 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2kd3 s ARG 70 CO 0.06 -0.23 1.06 0.45 -0.81 0.00 0.00 175.30 175.82 2kd3 s SER 71 N 1.86 5.67 -0.06 -2.12 0.15 -0.09 0.04 113.70 119.14 2kd3 s SER 71 Ca -0.03 1.74 0.13 0.00 0.70 0.00 0.00 55.95 58.49 2kd3 s SER 71 Cb -0.11 -2.52 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 2kd3 s SER 71 CO -0.08 -1.25 1.13 0.00 1.20 0.00 0.00 173.24 174.25 2kd3 n ALA 72 N -2.41 3.03 -1.78 5.45 0.00 -1.26 -4.47 120.51 119.07 2kd3 n ALA 72 Ca 0.08 -1.55 -0.37 0.00 0.00 0.00 0.00 53.44 51.60 2kd3 n ALA 72 Cb 0.53 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 2kd3 n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kd3 s LYS 73 N -0.34 4.25 -0.26 0.00 2.20 -1.26 -4.91 119.74 119.42 2kd3 s LYS 73 Ca 0.16 1.55 -0.34 0.00 -0.36 0.00 0.00 55.97 56.99 2kd3 s LYS 73 Cb 0.23 -2.66 -0.11 0.00 -1.51 0.00 0.00 37.83 33.78 2kd3 s LYS 73 CO -0.08 -0.07 2.09 -2.30 -0.36 0.00 0.00 175.35 174.63 2kd3 n PRO 74 N 0.15 1.47 -4.16 4.03 -0.02 -1.26 -4.85 135.00 130.37 2kd3 n PRO 74 Ca 0.04 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 2kd3 n PRO 74 Cb 0.49 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 2kd3 n PRO 74 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kd3 s VAL 75 N 6.45 0.95 -0.22 -1.45 -7.23 -1.26 -5.13 120.40 112.50 2kd3 s VAL 75 Ca 1.04 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2kd3 s VAL 75 Cb -0.75 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 35.27 2kd3 s VAL 75 CO 0.49 -0.24 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.06 2kd3 s THR 76 N -1.24 2.88 0.12 5.32 2.01 -1.26 -4.33 115.64 119.14 2kd3 s THR 76 Ca -0.04 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.25 2kd3 s THR 76 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2kd3 s THR 76 CO 0.02 0.36 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.49 2kd3 s GLU 77 N 1.38 1.16 -0.14 4.92 0.41 -0.72 -4.79 118.70 120.92 2kd3 s GLU 77 Ca 0.03 -1.22 0.02 0.00 -0.41 0.00 0.00 54.97 53.40 2kd3 s GLU 77 Cb -0.15 -1.38 0.01 0.00 -1.78 0.00 0.00 34.13 30.83 2kd3 s GLU 77 CO -0.06 0.31 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.30 2kd3 s LEU 78 N -2.07 2.17 -0.90 1.80 1.02 -1.14 -2.79 118.68 116.77 2kd3 s LEU 78 Ca 0.08 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 53.65 2kd3 s LEU 78 Cb -0.09 -1.46 0.24 0.00 0.02 0.00 0.00 46.19 44.90 2kd3 s LEU 78 CO 0.05 0.09 0.92 1.33 0.02 0.00 0.00 176.35 178.76 2kd3 n VAL 79 N 4.02 3.40 -2.87 -1.59 0.24 -1.26 -4.73 118.33 115.54 2kd3 n VAL 79 Ca -0.20 -5.30 -0.43 0.00 -2.04 0.00 0.00 64.34 56.38 2kd3 n VAL 79 Cb 0.52 -2.29 -0.05 0.00 -1.47 0.00 0.00 33.84 30.55 2kd3 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 s SER 81 N 2.33 1.17 0.00 0.00 0.15 -1.26 -4.00 113.70 112.09 2kd3 s SER 81 Ca 0.33 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2kd3 s SER 81 Cb -0.11 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2kd3 s SER 81 CO 0.24 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2kd3 n GLY 82 N 5.33 2.29 3.46 9.45 0.00 -1.25 -4.85 105.19 119.61 2kd3 n GLY 82 Ca -0.03 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2kd3 n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd3 s GLN 83 N 0.74 2.43 0.14 1.61 -0.21 -1.26 0.23 119.66 123.34 2kd3 s GLN 83 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 55.36 54.70 2kd3 s GLN 83 Cb 0.00 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 2kd3 s GLN 83 CO 0.00 0.61 0.02 0.00 -2.12 0.00 0.00 175.29 173.80 2kd3 n GLY 85 N 0.15 4.54 3.74 0.00 0.00 -1.26 -4.37 105.19 107.99 2kd3 n GLY 85 Ca -0.10 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.31 2kd3 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kd3 s PRO 86 N -2.83 2.77 0.00 1.61 0.04 -1.26 -4.91 135.00 130.42 2kd3 s PRO 86 Ca 0.44 2.05 0.30 0.00 0.04 0.00 0.00 61.00 63.83 2kd3 s PRO 86 Cb 0.30 -1.95 1.54 0.00 0.04 0.00 0.00 34.50 34.42 2kd3 s PRO 86 CO -0.10 -1.42 2.04 0.00 0.04 0.00 0.00 177.00 177.55 2kd3 n ALA 87 N -1.64 2.64 -3.18 8.56 0.00 -1.26 -4.51 120.51 121.11 2kd3 n ALA 87 Ca 0.14 -0.22 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 2kd3 n ALA 87 Cb 0.48 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 2kd3 n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kd3 s ARG 88 N -2.31 3.79 -0.23 0.00 1.81 -1.26 -5.01 118.95 115.74 2kd3 s ARG 88 Ca 0.36 -2.45 -0.14 0.00 -1.72 0.00 0.00 55.73 51.78 2kd3 s ARG 88 Cb 0.21 -4.66 -0.04 0.00 -0.45 0.00 0.00 34.95 30.00 2kd3 s ARG 88 CO 0.43 -1.47 0.30 -0.51 -0.68 0.00 0.00 175.30 173.36 2kd3 s LEU 89 N 0.71 4.12 -0.31 2.53 2.01 -1.26 -4.88 118.68 121.60 2kd3 s LEU 89 Ca 0.28 0.32 -0.05 0.00 0.01 0.00 0.00 54.13 54.68 2kd3 s LEU 89 Cb -0.08 -2.33 0.03 0.00 0.01 0.00 0.00 46.19 43.82 2kd3 s LEU 89 CO -0.08 -0.03 0.06 -0.22 1.01 0.00 0.00 176.35 177.09 2kd3 s LEU 90 N 1.30 3.96 -0.03 1.79 2.96 -1.26 -4.72 118.68 122.67 2kd3 s LEU 90 Ca 0.14 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 52.74 2kd3 s LEU 90 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2kd3 s LEU 90 CO 0.07 -0.25 1.38 -2.84 -1.32 0.00 0.00 176.35 173.39 2kd3 s PRO 91 N 1.39 4.28 -0.07 0.98 0.02 -1.20 -4.34 135.00 136.06 2kd3 s PRO 91 Ca -0.01 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 62.89 2kd3 s PRO 91 Cb -0.19 -3.63 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2kd3 s PRO 91 CO 0.01 -0.60 0.09 -0.80 -0.33 0.00 0.00 177.00 175.37 2kd3 s ASN 92 N 1.98 5.85 0.01 2.53 0.01 -1.26 -4.80 114.94 119.26 2kd3 s ASN 92 Ca 0.62 0.27 0.27 0.00 -0.71 0.00 0.00 52.86 53.32 2kd3 s ASN 92 Cb -0.29 -1.77 0.94 0.00 0.41 0.00 0.00 41.25 40.54 2kd3 s ASN 92 CO 0.25 0.35 1.72 0.00 -1.51 0.00 0.00 177.10 177.91 2kd3 n ALA 93 N 1.71 2.76 -2.35 0.60 0.00 -1.26 -4.63 120.51 117.34 2kd3 n ALA 93 Ca -0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2kd3 n ALA 93 Cb 0.54 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 2kd3 n ALA 93 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2kd3 n ILE 94 N -1.56 0.00 0.00 0.00 5.41 -1.26 0.18 119.36 122.13 2kd3 n ILE 94 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2kd3 n ILE 94 Cb 0.35 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 2kd3 n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kd3 n GLY 95 N -0.52 3.24 3.83 7.39 0.00 -1.26 -5.06 105.19 112.82 2kd3 n GLY 95 Ca 0.03 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2kd3 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kd3 s ARG 96 N 0.00 2.45 0.00 1.61 0.52 0.47 -5.14 118.95 118.86 2kd3 s ARG 96 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 2kd3 s ARG 96 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 2kd3 s ARG 96 CO 0.00 -0.15 0.00 0.28 0.02 0.00 0.00 175.30 175.45 2kd3 n VAL 97 N -1.44 0.00 0.00 3.52 0.31 -1.26 -4.03 118.33 115.44 2kd3 n VAL 97 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2kd3 n VAL 97 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2kd3 n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2kd3 n LYS 98 N 0.00 0.00 -0.61 5.55 2.85 -1.26 -4.31 118.16 120.38 2kd3 n LYS 98 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 2kd3 n LYS 98 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2kd3 n LYS 98 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2kd3 n TRP 99 N 0.00 0.00 -1.57 5.58 4.27 -1.26 -4.93 117.44 119.53 2kd3 n TRP 99 Ca 0.00 -0.99 -0.47 0.00 -3.89 0.00 0.00 57.50 52.15 2kd3 n TRP 99 Cb 0.00 -0.95 -0.03 0.00 -1.36 0.00 0.00 31.31 28.97 2kd3 n TRP 99 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 2kd3 n TRP 100 N 2.18 1.19 -3.73 -2.67 -0.00 -1.26 -4.93 117.44 108.22 2kd3 n TRP 100 Ca 0.19 0.70 -0.34 0.00 -0.00 0.00 0.00 57.50 58.05 2kd3 n TRP 100 Cb 0.57 -2.25 -0.09 0.00 -0.00 0.00 0.00 31.31 29.54 2kd3 n TRP 100 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2kd3 s ARG 101 N -0.83 2.82 0.00 5.87 0.52 -1.26 -4.90 118.95 121.16 2kd3 s ARG 101 Ca 0.67 -3.02 0.13 0.00 -0.52 0.00 0.00 55.73 52.99 2kd3 s ARG 101 Cb -0.80 -3.74 0.71 0.00 0.52 0.00 0.00 34.95 31.64 2kd3 s ARG 101 CO 0.55 -1.23 1.23 -0.35 0.02 0.00 0.00 175.30 175.52 2kd3 n PRO 102 N 2.66 0.32 0.23 3.54 -0.04 -1.26 -3.09 135.00 137.36 2kd3 n PRO 102 Ca 0.16 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 2kd3 n PRO 102 Cb 0.36 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.04 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kd3 h ASN 103 N 0.00 0.00 -4.21 3.54 2.35 -1.90 -3.42 115.58 111.94 2kd3 h ASN 103 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kd3 h ASN 103 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2kd3 h ASN 103 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kd3 n GLY 104 N -1.50 -1.61 3.75 2.83 0.00 -1.18 -4.85 105.19 102.63 2kd3 n GLY 104 Ca -0.01 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 2kd3 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kd3 s PRO 105 N -3.06 1.94 0.28 1.61 0.04 -1.26 -4.89 135.00 129.67 2kd3 s PRO 105 Ca 0.00 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2kd3 s PRO 105 Cb 0.00 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2kd3 s PRO 105 CO 0.00 -1.89 1.34 -0.51 0.04 0.00 0.00 177.00 175.98 2kd3 s ASP 106 N -3.24 6.79 0.28 6.66 1.01 -1.26 -5.03 116.67 121.88 2kd3 s ASP 106 Ca 0.62 2.61 0.11 0.00 0.71 0.00 0.00 52.55 56.60 2kd3 s ASP 106 Cb -0.18 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.06 2kd3 s ASP 106 CO 0.57 -0.56 -0.18 -0.36 0.21 0.00 0.00 175.17 174.84 2kd3 s PHE 107 N -0.56 2.26 -0.11 4.23 0.08 -1.25 -4.75 117.98 117.89 2kd3 s PHE 107 Ca 0.53 -0.38 -0.33 0.00 0.12 0.00 0.00 56.93 56.88 2kd3 s PHE 107 Cb -0.39 -1.04 0.12 0.00 -0.57 0.00 0.00 43.02 41.14 2kd3 s PHE 107 CO 0.47 0.67 1.11 -0.98 -0.10 0.00 0.00 175.22 176.39 2kd3 s ARG 108 N -3.54 0.50 -0.19 0.44 1.70 -1.26 -3.13 118.95 113.47 2kd3 s ARG 108 Ca 0.30 -0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.07 2kd3 s ARG 108 Cb -0.03 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 2kd3 s ARG 108 CO 0.15 -0.22 1.13 0.00 -1.08 0.00 0.00 175.30 175.28 2kd3 s ILE 110 N 3.20 0.19 0.85 0.00 2.07 -1.25 -3.86 121.20 122.40 2kd3 s ILE 110 Ca 0.49 0.13 -0.14 0.00 -1.41 0.00 0.00 60.65 59.72 2kd3 s ILE 110 Cb -0.18 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.12 2kd3 s ILE 110 CO 0.11 0.18 0.68 -2.65 -1.91 0.00 0.00 174.94 171.34 2kd3 n PRO 111 N 4.49 -0.01 0.07 3.50 -0.02 -1.26 -4.11 135.00 137.65 2kd3 n PRO 111 Ca -0.19 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2kd3 n PRO 111 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2kd3 n PRO 111 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kd3 n ASP 112 N -1.65 0.25 -4.42 2.55 2.03 -1.26 -4.89 116.55 109.16 2kd3 n ASP 112 Ca 0.10 0.22 -0.29 0.00 0.52 0.00 0.00 54.79 55.34 2kd3 n ASP 112 Cb 0.52 0.05 -0.12 0.00 -0.72 0.00 0.00 41.12 40.85 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2kd3 s ARG 113 N -1.63 1.50 0.01 -0.67 3.52 -1.25 -5.10 118.95 115.33 2kd3 s ARG 113 Ca 0.00 -1.36 0.07 0.00 -0.13 0.00 0.00 55.73 54.31 2kd3 s ARG 113 Cb 0.00 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.44 2kd3 s ARG 113 CO 0.00 0.44 -0.23 0.71 -0.81 0.00 0.00 175.30 175.42 2kd3 s TYR 114 N -1.22 2.02 0.07 5.12 1.51 -1.26 -3.47 117.35 120.12 2kd3 s TYR 114 Ca 0.16 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 2kd3 s TYR 114 Cb -0.10 -1.26 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2kd3 s TYR 114 CO 0.08 0.03 0.43 0.50 -1.11 0.00 0.00 175.55 175.48 2kd3 s ARG 115 N -0.82 3.84 0.11 -0.62 3.52 0.49 -4.66 118.95 120.81 2kd3 s ARG 115 Ca 0.09 0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.68 2kd3 s ARG 115 Cb -0.09 -3.04 -0.06 0.00 -1.56 0.00 0.00 34.95 30.20 2kd3 s ARG 115 CO 0.00 0.58 1.10 0.00 -0.81 0.00 0.00 175.30 176.17 2kd3 s ALA 116 N -1.33 3.33 -0.03 6.12 0.00 -1.26 -1.25 121.76 127.33 2kd3 s ALA 116 Ca 0.32 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.09 2kd3 s ALA 116 Cb -0.15 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2kd3 s ALA 116 CO 0.17 -0.27 -0.19 -0.65 0.00 0.00 0.00 175.76 174.82 2kd3 s GLN 117 N 0.35 1.73 -0.25 0.00 -1.52 0.47 -4.94 119.66 115.51 2kd3 s GLN 117 Ca 0.53 -0.66 -0.01 0.00 -1.95 0.00 0.00 55.36 53.27 2kd3 s GLN 117 Cb -0.28 -1.57 0.07 0.00 -0.22 0.00 0.00 33.01 31.02 2kd3 s GLN 117 CO 0.31 0.33 0.02 0.50 -0.25 0.00 0.00 175.29 176.20 2kd3 s ARG 118 N -0.19 1.03 0.06 2.91 3.52 -1.26 0.18 118.95 125.21 2kd3 s ARG 118 Ca 0.01 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 2kd3 s ARG 118 Cb -0.10 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2kd3 s ARG 118 CO 0.01 -0.73 -0.09 0.08 -0.81 0.00 0.00 175.30 173.76 2kd3 s VAL 119 N 1.59 0.67 -0.12 7.11 1.01 -1.02 -4.98 120.40 124.67 2kd3 s VAL 119 Ca 0.01 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 2kd3 s VAL 119 Cb -0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2kd3 s VAL 119 CO -0.12 -0.46 0.46 0.00 0.00 0.00 0.00 175.10 174.98 2kd3 s GLN 120 N -2.09 4.32 -0.04 2.72 -2.07 -1.26 -1.74 119.66 119.51 2kd3 s GLN 120 Ca -0.04 0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 53.62 2kd3 s GLN 120 Cb -0.07 -3.43 -0.03 0.00 -1.09 0.00 0.00 33.01 28.39 2kd3 s GLN 120 CO -0.00 0.18 1.12 -0.51 -1.32 0.00 0.00 175.29 174.76 2kd3 s LEU 121 N 0.57 4.30 -0.03 2.60 1.43 0.75 -4.24 118.68 124.05 2kd3 s LEU 121 Ca 0.25 1.75 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 2kd3 s LEU 121 Cb -0.15 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2kd3 s LEU 121 CO 0.10 -0.49 0.52 -0.76 0.23 0.00 0.00 176.35 175.95 2kd3 s LEU 122 N 1.83 4.39 0.35 1.79 1.02 0.11 -2.23 118.68 125.94 2kd3 s LEU 122 Ca 0.54 1.03 0.08 0.00 0.02 0.00 0.00 54.13 55.79 2kd3 s LEU 122 Cb -0.23 -2.79 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 2kd3 s LEU 122 CO 0.23 0.13 0.21 0.00 0.02 0.00 0.00 176.35 176.94 2kd3 n PRO 124 N -1.26 1.56 -0.00 0.00 -0.04 -1.26 0.05 135.00 134.05 2kd3 n PRO 124 Ca -0.02 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2kd3 n PRO 124 Cb 0.61 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kd3 n GLY 125 N 6.10 0.46 3.42 0.55 0.00 -1.26 -4.51 105.19 109.96 2kd3 n GLY 125 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 2kd3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kd3 n GLY 126 N -2.00 -0.88 0.06 -0.02 0.00 0.11 -4.98 105.19 97.48 2kd3 n GLY 126 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 2kd3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kd3 n ALA 127 N -3.71 0.42 -3.00 4.61 0.00 -1.26 -4.74 120.51 112.83 2kd3 n ALA 127 Ca -0.14 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 2kd3 n ALA 127 Cb 0.63 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 2kd3 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd3 n ALA 128 N -3.47 4.76 -1.52 0.00 0.00 -1.26 -5.08 120.51 113.94 2kd3 n ALA 128 Ca -0.07 -4.72 -0.40 0.00 0.00 0.00 0.00 53.44 48.26 2kd3 n ALA 128 Cb 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.70 2kd3 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kd3 n PRO 129 N 0.06 0.82 -4.27 0.00 -0.04 -1.26 -4.90 135.00 125.40 2kd3 n PRO 129 Ca 0.33 0.30 -0.20 0.00 -0.04 0.00 0.00 63.50 63.89 2kd3 n PRO 129 Cb 0.38 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 2kd3 n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kd3 s ARG 130 N -1.97 1.10 -0.10 0.54 0.52 -0.95 -4.92 118.95 113.17 2kd3 s ARG 130 Ca 0.66 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2kd3 s ARG 130 Cb -0.53 -1.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 2kd3 s ARG 130 CO 0.55 0.21 0.04 -1.54 0.02 0.00 0.00 175.30 174.58 2kd3 s SER 131 N -2.45 5.52 -0.08 0.23 1.04 -1.26 0.27 113.70 116.97 2kd3 s SER 131 Ca 0.10 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 2kd3 s SER 131 Cb -0.06 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.46 2kd3 s SER 131 CO 0.04 0.38 0.20 -0.60 0.98 0.00 0.00 173.24 174.24 2kd3 s ARG 132 N -0.90 0.22 0.07 4.02 3.52 -0.71 -4.93 118.95 120.24 2kd3 s ARG 132 Ca 0.14 0.30 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 2kd3 s ARG 132 Cb -0.12 0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.30 2kd3 s ARG 132 CO 0.03 -0.04 0.49 -1.59 -0.81 0.00 0.00 175.30 173.38 2kd3 s LYS 133 N 0.23 4.00 -0.10 5.12 -2.85 -1.26 -2.45 119.74 122.44 2kd3 s LYS 133 Ca -0.01 0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 55.42 2kd3 s LYS 133 Cb -0.02 -3.12 0.05 0.00 -2.06 0.00 0.00 37.83 32.67 2kd3 s LYS 133 CO -0.01 0.60 0.22 0.08 0.10 0.00 0.00 175.35 176.34 2kd3 s VAL 134 N -1.23 -0.18 -0.36 1.79 1.01 0.49 -4.93 120.40 116.99 2kd3 s VAL 134 Ca 0.30 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 2kd3 s VAL 134 Cb -0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 2kd3 s VAL 134 CO 0.17 0.09 0.29 0.00 0.00 0.00 0.00 175.10 175.66 2kd3 s ARG 135 N 1.72 3.37 0.08 2.72 1.70 -1.26 0.18 118.95 127.45 2kd3 s ARG 135 Ca -0.04 -0.69 0.07 0.00 -0.47 0.00 0.00 55.73 54.59 2kd3 s ARG 135 Cb -0.11 -3.86 -0.03 0.00 -0.57 0.00 0.00 34.95 30.38 2kd3 s ARG 135 CO -0.08 -0.55 -0.18 -0.51 -1.08 0.00 0.00 175.30 172.90 2kd3 s LEU 136 N 1.80 2.26 -0.74 -1.89 1.43 -0.38 -4.82 118.68 116.34 2kd3 s LEU 136 Ca 0.07 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 2kd3 s LEU 136 Cb -0.18 -0.73 -0.14 0.00 0.03 0.00 0.00 46.19 45.17 2kd3 s LEU 136 CO 0.11 0.02 2.41 1.33 0.23 0.00 0.00 176.35 180.44 2kd3 n VAL 137 N 1.33 -0.02 0.56 -1.59 0.24 -1.26 0.18 118.33 117.77 2kd3 n VAL 137 Ca -0.20 -0.56 0.11 0.00 -2.04 0.00 0.00 64.34 61.66 2kd3 n VAL 137 Cb 0.54 -1.97 0.45 0.00 -1.47 0.00 0.00 33.84 31.39 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 n ALA 138 N 16.68 1.91 -3.64 2.33 0.00 -1.23 -2.90 120.51 133.67 2kd3 n ALA 138 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2kd3 n ALA 138 Cb 0.42 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 2kd3 n ALA 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kd3 s SER 139 N -3.89 -0.48 0.17 0.00 1.04 -1.26 -4.91 113.70 104.37 2kd3 s SER 139 Ca 0.08 0.88 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 2kd3 s SER 139 Cb 0.11 0.96 -0.02 0.00 0.10 0.00 0.00 66.02 67.17 2kd3 s SER 139 CO 0.44 -0.15 0.20 0.00 0.98 0.00 0.00 173.24 174.71 2kd3 s LYS 141 N -4.03 1.22 -0.88 0.00 1.02 -1.26 -4.98 119.74 110.83 2kd3 s LYS 141 Ca 0.23 -0.45 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 2kd3 s LYS 141 Cb 0.05 -1.12 0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2kd3 s LYS 141 CO 0.03 0.21 1.34 0.00 -0.92 0.00 0.00 175.35 176.02 2kd3 s LYS 143 N 5.20 0.67 0.00 0.00 2.47 -1.02 -4.79 119.74 122.27 2kd3 s LYS 143 Ca 0.40 -1.07 0.00 0.00 -1.56 0.00 0.00 55.97 53.74 2kd3 s LYS 143 Cb -0.04 -0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.14 2kd3 s LYS 143 CO 0.02 -0.00 0.00 0.54 0.16 0.00 0.00 175.35 176.07