#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 2.25 0.08 3.14 8.00 -1.26 -3.70 116.55 125.05 2kd3 n ASP 49 Ca 0.00 -2.22 0.13 0.00 0.71 0.00 0.00 54.79 53.41 2kd3 n ASP 49 Cb 0.00 -0.45 0.42 0.00 -0.02 0.00 0.00 41.12 41.07 2kd3 n ASP 49 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2kd3 n VAL 50 N 0.22 0.45 1.10 2.53 0.24 -1.26 -2.95 118.33 118.66 2kd3 n VAL 50 Ca 0.09 -0.22 0.14 0.00 -2.04 0.00 0.00 64.34 62.30 2kd3 n VAL 50 Cb 0.47 -0.50 0.58 0.00 -1.47 0.00 0.00 33.84 32.92 2kd3 n VAL 50 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kd3 n SER 51 N -2.09 0.12 -0.44 -1.34 3.41 -1.24 -3.14 113.62 108.89 2kd3 n SER 51 Ca 0.06 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 2kd3 n SER 51 Cb 0.41 -0.32 0.45 0.00 -0.26 0.00 0.00 64.21 64.50 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kd3 n GLU 52 N -1.42 1.59 -0.32 4.33 1.02 -1.15 -4.02 120.64 120.66 2kd3 n GLU 52 Ca 0.08 -0.88 -0.03 0.00 -0.02 0.00 0.00 57.16 56.31 2kd3 n GLU 52 Cb 0.32 -1.40 0.08 0.00 -0.02 0.00 0.00 31.44 30.42 2kd3 n GLU 52 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2kd3 n TYR 53 N 0.09 0.79 -1.61 -0.32 4.02 -1.19 0.19 117.16 119.14 2kd3 n TYR 53 Ca 0.17 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.90 57.03 2kd3 n TYR 53 Cb 0.29 -0.36 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2kd3 s SER 54 N 0.08 5.28 0.00 7.72 0.15 -1.26 -4.63 113.70 121.05 2kd3 s SER 54 Ca 0.17 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.56 2kd3 s SER 54 Cb 0.13 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2kd3 s SER 54 CO 0.04 -2.12 0.81 0.00 1.20 0.00 0.00 173.24 173.17 2kd3 n ARG 56 N 0.01 0.26 -1.45 0.00 0.00 -1.26 -4.70 116.66 109.51 2kd3 n ARG 56 Ca -0.16 0.15 -0.13 0.00 -0.00 0.00 0.00 57.85 57.71 2kd3 n ARG 56 Cb 0.63 -2.27 -0.11 0.00 -0.00 0.00 0.00 32.46 30.71 2kd3 n ARG 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kd3 n GLU 57 N -2.48 0.21 -3.70 2.89 2.13 -1.26 -4.72 120.64 113.70 2kd3 n GLU 57 Ca 0.13 -0.75 -0.30 0.00 0.66 0.00 0.00 57.16 56.89 2kd3 n GLU 57 Cb 0.50 -2.70 -0.04 0.00 0.27 0.00 0.00 31.44 29.47 2kd3 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2kd3 s LEU 58 N 9.72 4.26 -0.05 4.31 0.20 -1.26 -5.04 118.68 130.81 2kd3 s LEU 58 Ca 0.82 0.49 0.03 0.00 0.69 0.00 0.00 54.13 56.16 2kd3 s LEU 58 Cb -0.24 -3.23 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 2kd3 s LEU 58 CO 0.20 0.03 -0.14 -1.00 -0.29 0.00 0.00 176.35 175.16 2kd3 s HIS 59 N -1.71 1.50 0.24 5.38 3.76 -1.22 -3.31 115.29 119.92 2kd3 s HIS 59 Ca 0.40 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 2kd3 s HIS 59 Cb -0.12 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.53 2kd3 s HIS 59 CO 0.27 -0.20 0.51 1.52 -0.85 0.00 0.00 174.74 175.99 2kd3 s TYR 60 N 0.31 0.19 -0.18 1.40 1.13 -0.91 -4.93 117.35 114.36 2kd3 s TYR 60 Ca -0.08 -0.56 -0.16 0.00 -1.41 0.00 0.00 57.07 54.85 2kd3 s TYR 60 Cb -0.13 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 2kd3 s TYR 60 CO 0.03 -1.00 0.41 0.99 -2.51 0.00 0.00 175.55 173.47 2kd3 s THR 61 N -3.97 5.20 -0.30 -3.49 2.01 -1.26 -2.89 115.64 110.93 2kd3 s THR 61 Ca 0.18 0.76 -0.15 0.00 0.31 0.00 0.00 61.69 62.79 2kd3 s THR 61 Cb -0.01 -3.75 0.16 0.00 0.01 0.00 0.00 72.50 68.91 2kd3 s THR 61 CO 0.06 0.27 0.97 -0.13 -0.69 0.00 0.00 174.62 175.10 2kd3 s ARG 62 N 1.12 0.31 0.00 4.92 0.52 -1.26 -5.06 118.95 119.50 2kd3 s ARG 62 Ca 0.21 0.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 2kd3 s ARG 62 Cb -0.15 0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.75 2kd3 s ARG 62 CO 0.08 -0.10 0.00 1.19 0.02 0.00 0.00 175.30 176.49 2kd3 n PHE 63 N 4.87 0.00 -3.64 -0.53 3.01 -1.26 -4.82 117.46 115.10 2kd3 n PHE 63 Ca -0.10 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.26 2kd3 n PHE 63 Cb 0.53 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.79 -0.51 -0.05 4.37 2.34 -1.26 -4.86 118.68 116.92 2kd3 s LEU 64 Ca 0.00 0.97 0.01 0.00 0.06 0.00 0.00 54.13 55.17 2kd3 s LEU 64 Cb 0.00 1.98 0.02 0.00 -0.56 0.00 0.00 46.19 47.64 2kd3 s LEU 64 CO 0.00 -0.17 -0.05 0.42 -1.06 0.00 0.00 176.35 175.49 2kd3 s THR 65 N 0.29 0.63 0.00 5.48 -4.23 -1.26 -1.21 115.64 115.35 2kd3 s THR 65 Ca 0.02 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2kd3 s THR 65 Cb -0.05 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.14 2kd3 s THR 65 CO -0.05 0.25 0.00 0.47 -0.54 0.00 0.00 174.62 174.75 2kd3 n ASP 66 N 4.16 0.06 -2.08 3.99 8.00 -1.07 -5.05 116.55 124.56 2kd3 n ASP 66 Ca -0.22 -0.51 -0.21 0.00 0.71 0.00 0.00 54.79 54.56 2kd3 n ASP 66 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kd3 n GLY 67 N 0.15 -1.16 0.00 0.44 0.00 -1.26 -2.78 105.19 100.57 2kd3 n GLY 67 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.59 0.00 -3.48 1.61 -0.02 -1.26 -4.55 135.00 127.89 2kd3 n PRO 68 Ca 0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2kd3 n PRO 68 Cb 0.17 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.62 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 -2.93 0.45 0.46 0.00 0.52 0.53 -2.61 118.95 115.36 2kd3 s ARG 70 Ca 0.00 -0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2kd3 s ARG 70 Cb -0.01 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2kd3 s ARG 70 CO -0.07 -0.10 0.73 0.45 0.02 0.00 0.00 175.30 176.33 2kd3 s SER 71 N -0.92 6.18 0.00 0.23 0.15 -0.35 0.15 113.70 119.15 2kd3 s SER 71 Ca -0.10 0.76 0.11 0.00 0.70 0.00 0.00 55.95 57.42 2kd3 s SER 71 Cb -0.05 -2.10 0.18 0.00 -1.71 0.00 0.00 66.02 62.34 2kd3 s SER 71 CO 0.02 -0.56 1.04 0.00 1.20 0.00 0.00 173.24 174.93 2kd3 n ALA 72 N -2.17 2.90 -1.76 5.45 0.00 -1.26 -4.55 120.51 119.12 2kd3 n ALA 72 Ca -0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 53.44 51.66 2kd3 n ALA 72 Cb 0.56 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 4.57 -0.01 0.00 2.20 -1.26 -4.94 119.74 120.31 2kd3 s LYS 73 Ca 0.15 1.82 -0.36 0.00 -0.36 0.00 0.00 55.97 57.21 2kd3 s LYS 73 Cb 0.17 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 33.21 2kd3 s LYS 73 CO -0.07 0.15 1.60 -2.30 -0.36 0.00 0.00 175.35 174.36 2kd3 n PRO 74 N 1.05 1.61 -4.25 4.03 -0.02 -1.26 -4.83 135.00 131.33 2kd3 n PRO 74 Ca -0.01 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 2kd3 n PRO 74 Cb 0.45 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.98 0.84 -0.29 -1.45 -7.23 -1.26 -5.12 120.40 107.87 2kd3 s VAL 75 Ca 0.88 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 2kd3 s VAL 75 Cb -0.86 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.12 2kd3 s VAL 75 CO 0.50 -0.55 0.11 -0.89 -0.31 0.00 0.00 175.10 173.97 2kd3 s THR 76 N -3.54 0.31 0.31 5.32 2.01 -1.26 -4.62 115.64 114.17 2kd3 s THR 76 Ca 0.22 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.32 2kd3 s THR 76 Cb 0.05 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2kd3 s THR 76 CO 0.03 -0.69 0.02 -1.61 -0.69 0.00 0.00 174.62 171.68 2kd3 s GLU 77 N 1.91 2.18 -0.03 4.92 2.02 -1.14 -4.88 118.70 123.68 2kd3 s GLU 77 Ca 0.09 -1.60 0.02 0.00 0.02 0.00 0.00 54.97 53.50 2kd3 s GLU 77 Cb -0.16 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2kd3 s GLU 77 CO -0.31 0.22 -0.08 -0.51 0.02 0.00 0.00 175.26 174.60 2kd3 s LEU 78 N -3.71 3.12 -0.92 1.80 1.02 -1.21 -2.14 118.68 116.64 2kd3 s LEU 78 Ca 0.34 -0.11 -0.09 0.00 0.02 0.00 0.00 54.13 54.29 2kd3 s LEU 78 Cb -0.03 -1.74 0.23 0.00 0.02 0.00 0.00 46.19 44.67 2kd3 s LEU 78 CO 0.20 0.32 0.86 0.68 0.02 0.00 0.00 176.35 178.42 2kd3 s VAL 79 N -0.91 5.33 -0.53 -1.59 -7.23 -1.26 -4.80 120.40 109.42 2kd3 s VAL 79 Ca 0.15 -3.12 -0.24 0.00 -1.81 0.00 0.00 61.98 56.95 2kd3 s VAL 79 Cb -0.11 -4.27 0.04 0.00 0.56 0.00 0.00 36.38 32.60 2kd3 s VAL 79 CO 0.05 -1.08 0.93 0.00 -0.31 0.00 0.00 175.10 174.69 2kd3 s SER 81 N 2.67 1.72 0.06 0.00 1.04 -1.08 -4.85 113.70 113.25 2kd3 s SER 81 Ca 0.32 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 2kd3 s SER 81 Cb -0.12 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.96 2kd3 s SER 81 CO 0.21 -0.31 0.43 0.61 0.98 0.00 0.00 173.24 175.16 2kd3 n GLY 82 N 5.30 0.94 3.37 7.32 0.00 -1.24 -4.13 105.19 116.74 2kd3 n GLY 82 Ca -0.05 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2kd3 n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kd3 s GLN 83 N -2.02 2.28 0.19 1.61 0.74 0.51 0.36 119.66 123.33 2kd3 s GLN 83 Ca 0.10 -0.84 0.11 0.00 0.05 0.00 0.00 55.36 54.77 2kd3 s GLN 83 Cb -0.01 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 2kd3 s GLN 83 CO 0.02 0.57 -0.23 0.00 -0.55 0.00 0.00 175.29 175.10 2kd3 n GLY 85 N 0.26 -1.27 3.64 0.00 0.00 -1.26 -4.38 105.19 102.18 2kd3 n GLY 85 Ca -0.13 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2kd3 n GLY 85 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kd3 s PRO 86 N -3.46 0.71 -0.02 1.61 0.02 -1.26 -4.91 135.00 127.70 2kd3 s PRO 86 Ca 0.00 1.30 0.06 0.00 0.02 0.00 0.00 61.00 62.38 2kd3 s PRO 86 Cb 0.00 -1.71 0.21 0.00 0.02 0.00 0.00 34.50 33.02 2kd3 s PRO 86 CO 0.00 -2.76 1.10 0.00 -0.33 0.00 0.00 177.00 175.01 2kd3 n ALA 87 N -4.30 2.57 -2.17 -1.55 0.00 -1.26 -4.89 120.51 108.91 2kd3 n ALA 87 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2kd3 n ALA 87 Cb 0.53 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 2kd3 n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kd3 s ARG 88 N -1.66 4.37 -0.26 0.00 6.06 -1.26 -5.00 118.95 121.20 2kd3 s ARG 88 Ca 0.15 1.99 -0.11 0.00 -2.50 0.00 0.00 55.73 55.27 2kd3 s ARG 88 Cb 0.09 -3.25 -0.05 0.00 0.06 0.00 0.00 34.95 31.79 2kd3 s ARG 88 CO 0.09 -0.33 0.17 -0.51 -2.50 0.00 0.00 175.30 172.23 2kd3 s LEU 89 N 0.68 4.07 -0.31 -0.88 2.01 -1.26 -4.90 118.68 118.09 2kd3 s LEU 89 Ca 0.60 0.06 -0.02 0.00 0.01 0.00 0.00 54.13 54.78 2kd3 s LEU 89 Cb -0.35 -2.11 0.05 0.00 0.01 0.00 0.00 46.19 43.79 2kd3 s LEU 89 CO 0.33 0.01 0.02 -0.22 1.01 0.00 0.00 176.35 177.50 2kd3 s LEU 90 N 1.38 4.02 -0.12 1.79 2.96 -1.26 -4.67 118.68 122.78 2kd3 s LEU 90 Ca 0.07 -1.31 -0.29 0.00 -0.22 0.00 0.00 54.13 52.39 2kd3 s LEU 90 Cb -0.15 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 2kd3 s LEU 90 CO 0.07 -0.28 2.11 -2.16 -1.32 0.00 0.00 176.35 174.78 2kd3 s PRO 91 N 1.26 3.52 -0.05 0.98 0.04 -1.22 -4.48 135.00 135.04 2kd3 s PRO 91 Ca -0.04 2.24 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 2kd3 s PRO 91 Cb -0.20 -4.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 2kd3 s PRO 91 CO -0.01 -1.67 0.25 -0.80 0.04 0.00 0.00 177.00 174.81 2kd3 s ASN 92 N 6.79 6.53 0.00 6.66 0.02 -1.26 -4.78 114.94 128.89 2kd3 s ASN 92 Ca 0.95 0.63 0.27 0.00 -1.02 0.00 0.00 52.86 53.70 2kd3 s ASN 92 Cb -0.36 -2.12 1.20 0.00 0.02 0.00 0.00 41.25 39.98 2kd3 s ASN 92 CO 0.37 0.34 1.82 0.00 0.02 0.00 0.00 177.10 179.66 2kd3 n ALA 93 N 1.69 2.59 -2.26 0.60 0.00 -1.26 -4.72 120.51 117.16 2kd3 n ALA 93 Ca -0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 2kd3 n ALA 93 Cb 0.54 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.12 0.00 0.00 0.00 -0.00 -1.26 0.10 119.36 118.08 2kd3 n ILE 94 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.94 2kd3 n ILE 94 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.86 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 -0.46 3.48 3.50 7.39 0.00 -1.26 -5.07 105.19 112.77 2kd3 n GLY 95 Ca 0.01 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2kd3 n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kd3 s ARG 96 N 0.00 1.81 -0.18 1.61 3.52 0.28 -5.12 118.95 120.87 2kd3 s ARG 96 Ca 0.00 -1.19 0.01 0.00 -0.13 0.00 0.00 55.73 54.42 2kd3 s ARG 96 Cb 0.00 -2.11 0.03 0.00 -1.56 0.00 0.00 34.95 31.31 2kd3 s ARG 96 CO 0.00 0.47 -0.13 0.08 -0.81 0.00 0.00 175.30 174.92 2kd3 s VAL 97 N -1.21 1.66 0.00 7.11 1.01 -1.26 -4.33 120.40 123.38 2kd3 s VAL 97 Ca 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2kd3 s VAL 97 Cb -0.10 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2kd3 s VAL 97 CO 0.11 0.30 0.00 2.29 0.00 0.00 0.00 175.10 177.80 2kd3 n LYS 98 N 4.71 0.00 -2.65 2.72 2.85 -1.26 -5.03 118.16 119.49 2kd3 n LYS 98 Ca -0.16 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.07 2kd3 n LYS 98 Cb 0.48 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 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 -0.18 -1.66 5.58 4.27 -1.26 -5.15 117.44 119.05 2kd3 n TRP 99 Ca 0.00 -0.60 -0.44 0.00 -3.89 0.00 0.00 57.50 52.57 2kd3 n TRP 99 Cb 0.00 1.14 -0.02 0.00 -1.36 0.00 0.00 31.31 31.07 2kd3 n TRP 99 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2kd3 n TRP 100 N -0.30 1.99 -3.85 -2.67 5.03 -1.26 -4.96 117.44 111.42 2kd3 n TRP 100 Ca -0.25 0.56 -0.29 0.00 3.03 0.00 0.00 57.50 60.55 2kd3 n TRP 100 Cb 0.66 -2.39 -0.12 0.00 -1.03 0.00 0.00 31.31 28.42 2kd3 n TRP 100 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 2kd3 s ARG 101 N -1.33 2.13 0.03 -0.99 1.70 -1.26 -4.94 118.95 114.30 2kd3 s ARG 101 Ca 0.60 -2.97 0.02 0.00 -0.47 0.00 0.00 55.73 52.91 2kd3 s ARG 101 Cb -0.63 -3.14 0.11 0.00 -0.57 0.00 0.00 34.95 30.71 2kd3 s ARG 101 CO 0.58 -1.24 0.98 -0.35 -1.08 0.00 0.00 175.30 174.18 2kd3 n PRO 102 N 2.43 0.01 -0.06 3.89 -0.04 -1.26 -2.28 135.00 137.68 2kd3 n PRO 102 Ca 0.16 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 64.14 2kd3 n PRO 102 Cb 0.35 -1.63 0.44 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.46 -3.80 3.54 4.21 -1.92 -3.40 115.58 114.67 2kd3 h ASN 103 Ca 0.00 -0.00 0.17 0.00 1.21 0.00 0.00 56.30 57.68 2kd3 h ASN 103 Cb 0.18 -0.10 -0.09 0.00 -1.12 0.00 0.00 38.32 37.18 2kd3 h ASN 103 CO 0.00 0.30 -0.79 0.61 -1.29 0.00 0.00 177.43 176.27 2kd3 n GLY 104 N -1.49 -3.26 3.77 2.83 0.00 -0.97 -4.70 105.19 101.37 2kd3 n GLY 104 Ca 0.07 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 2kd3 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kd3 s PRO 105 N -4.14 4.10 0.06 1.61 0.02 -1.26 -4.89 135.00 130.50 2kd3 s PRO 105 Ca 0.00 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 62.60 2kd3 s PRO 105 Cb 0.00 -2.73 -0.07 0.00 0.02 0.00 0.00 34.50 31.72 2kd3 s PRO 105 CO 0.00 -0.30 1.39 -0.51 -0.33 0.00 0.00 177.00 177.25 2kd3 s ASP 106 N -1.05 6.85 -0.09 2.53 1.01 -1.26 -4.98 116.67 119.68 2kd3 s ASP 106 Ca 0.56 2.21 0.01 0.00 0.71 0.00 0.00 52.55 56.05 2kd3 s ASP 106 Cb -0.32 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.01 2kd3 s ASP 106 CO 0.40 -0.67 -0.12 -0.36 0.21 0.00 0.00 175.17 174.63 2kd3 s PHE 107 N 1.71 2.80 0.05 4.23 0.08 -1.26 -5.03 117.98 120.56 2kd3 s PHE 107 Ca 0.64 -0.29 -0.27 0.00 0.12 0.00 0.00 56.93 57.13 2kd3 s PHE 107 Cb -0.34 -1.74 0.09 0.00 -0.57 0.00 0.00 43.02 40.47 2kd3 s PHE 107 CO 0.29 0.07 1.19 -0.98 -0.10 0.00 0.00 175.22 175.68 2kd3 s ARG 108 N -0.32 0.71 -0.29 0.44 1.70 -1.23 -4.17 118.95 115.79 2kd3 s ARG 108 Ca 0.03 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 2kd3 s ARG 108 Cb -0.13 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 2kd3 s ARG 108 CO 0.02 -0.33 1.65 0.00 -1.08 0.00 0.00 175.30 175.56 2kd3 s ILE 110 N 5.86 3.86 0.37 0.00 1.01 -1.24 -4.51 121.20 126.54 2kd3 s ILE 110 Ca 0.73 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 2kd3 s ILE 110 Cb -0.22 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.54 2kd3 s ILE 110 CO 0.31 0.58 1.46 -2.16 0.00 0.00 0.00 174.94 175.14 2kd3 s PRO 111 N -0.64 4.15 -0.02 2.79 0.04 -1.26 -4.06 135.00 135.99 2kd3 s PRO 111 Ca 0.10 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.63 2kd3 s PRO 111 Cb -0.12 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 2kd3 s PRO 111 CO 0.02 -0.48 -0.04 -0.25 0.04 0.00 0.00 177.00 176.29 2kd3 n ASP 112 N 0.53 0.23 -4.27 6.66 8.00 -1.26 -4.93 116.55 121.52 2kd3 n ASP 112 Ca 0.01 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 2kd3 n ASP 112 Cb 0.40 -0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kd3 s ARG 113 N -1.23 1.64 0.25 -1.24 3.52 -1.04 -5.07 118.95 115.79 2kd3 s ARG 113 Ca -0.03 -0.91 0.11 0.00 -0.13 0.00 0.00 55.73 54.76 2kd3 s ARG 113 Cb 0.00 -1.70 -0.05 0.00 -1.56 0.00 0.00 34.95 31.65 2kd3 s ARG 113 CO 0.05 0.45 -0.18 0.71 -0.81 0.00 0.00 175.30 175.53 2kd3 s TYR 114 N -0.68 2.38 -0.04 5.12 1.51 -1.26 -2.67 117.35 121.71 2kd3 s TYR 114 Ca 0.09 -0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 55.74 2kd3 s TYR 114 Cb -0.09 -1.08 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2kd3 s TYR 114 CO 0.01 0.64 0.26 0.50 -1.11 0.00 0.00 175.55 175.84 2kd3 s ARG 115 N -3.27 3.62 -0.02 -0.62 3.52 0.59 -4.71 118.95 118.07 2kd3 s ARG 115 Ca 0.27 0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 2kd3 s ARG 115 Cb -0.06 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 2kd3 s ARG 115 CO 0.14 0.71 1.08 0.00 -0.81 0.00 0.00 175.30 176.43 2kd3 s ALA 116 N -1.14 3.33 -0.03 6.12 0.00 -1.26 -1.42 121.76 127.36 2kd3 s ALA 116 Ca 0.22 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2kd3 s ALA 116 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2kd3 s ALA 116 CO 0.11 -0.46 -0.16 -0.65 0.00 0.00 0.00 175.76 174.60 2kd3 s GLN 117 N 1.46 1.54 -0.36 0.00 -1.52 -0.03 -4.97 119.66 115.78 2kd3 s GLN 117 Ca 0.54 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 2kd3 s GLN 117 Cb -0.23 -1.40 0.12 0.00 -0.22 0.00 0.00 33.01 31.28 2kd3 s GLN 117 CO 0.25 0.28 0.17 0.50 -0.25 0.00 0.00 175.29 176.24 2kd3 s ARG 118 N -0.11 0.81 0.08 2.91 3.52 -1.26 0.06 118.95 124.96 2kd3 s ARG 118 Ca 0.00 -1.39 0.08 0.00 -0.13 0.00 0.00 55.73 54.30 2kd3 s ARG 118 Cb -0.09 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 2kd3 s ARG 118 CO 0.01 -1.10 -0.22 0.08 -0.81 0.00 0.00 175.30 173.26 2kd3 s VAL 119 N 1.12 1.81 -0.10 7.11 1.01 -0.98 -4.93 120.40 125.44 2kd3 s VAL 119 Ca 0.14 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 2kd3 s VAL 119 Cb -0.21 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2kd3 s VAL 119 CO -0.12 0.09 0.37 0.00 0.00 0.00 0.00 175.10 175.45 2kd3 s GLN 120 N -1.60 4.12 -0.23 2.72 -2.07 -1.25 -1.40 119.66 119.94 2kd3 s GLN 120 Ca 0.08 0.27 -0.29 0.00 -1.82 0.00 0.00 55.36 53.61 2kd3 s GLN 120 Cb -0.10 -3.35 -0.00 0.00 -1.09 0.00 0.00 33.01 28.48 2kd3 s GLN 120 CO 0.03 0.40 1.18 -0.51 -1.32 0.00 0.00 175.29 175.07 2kd3 s LEU 121 N -0.08 4.07 0.26 2.60 1.43 0.77 -4.39 118.68 123.35 2kd3 s LEU 121 Ca 0.21 1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 2kd3 s LEU 121 Cb -0.15 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 2kd3 s LEU 121 CO 0.09 -0.81 0.96 -0.76 0.23 0.00 0.00 176.35 176.06 2kd3 s LEU 122 N 3.59 4.57 0.12 1.79 1.02 0.39 -2.25 118.68 127.91 2kd3 s LEU 122 Ca 0.51 1.97 0.08 0.00 0.02 0.00 0.00 54.13 56.71 2kd3 s LEU 122 Cb -0.18 -3.69 -0.04 0.00 0.02 0.00 0.00 46.19 42.30 2kd3 s LEU 122 CO 0.14 0.07 -0.13 0.00 0.02 0.00 0.00 176.35 176.44 2kd3 n PRO 124 N 0.68 1.20 -0.37 0.00 -0.02 -1.26 0.13 135.00 135.37 2kd3 n PRO 124 Ca -0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2kd3 n PRO 124 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kd3 n GLY 125 N 5.95 0.71 3.24 -1.23 0.00 -1.26 -4.63 105.19 107.97 2kd3 n GLY 125 Ca 0.37 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.07 -0.55 0.84 -0.02 0.00 0.34 -4.99 105.19 98.73 2kd3 n GLY 126 Ca 0.00 0.82 -0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.26 2.51 -2.95 4.61 0.00 -1.26 -4.92 120.51 118.76 2kd3 n ALA 127 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 2kd3 n ALA 127 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.62 4.78 -1.13 0.00 0.00 -1.26 -5.08 120.51 115.19 2kd3 n ALA 128 Ca -0.00 -4.71 -0.36 0.00 0.00 0.00 0.00 53.44 48.37 2kd3 n ALA 128 Cb 0.01 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.15 0.09 -4.23 0.00 -0.04 -1.26 -4.94 135.00 124.47 2kd3 n PRO 129 Ca 0.32 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 2kd3 n PRO 129 Cb 0.38 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.33 0.98 -0.07 0.54 0.52 -0.96 -4.93 118.95 112.70 2kd3 s ARG 130 Ca 0.56 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2kd3 s ARG 130 Cb -0.32 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.27 2kd3 s ARG 130 CO 0.67 0.16 -0.00 -1.12 0.02 0.00 0.00 175.30 175.03 2kd3 s SER 131 N -2.39 5.20 -0.02 0.23 0.01 -1.26 0.27 113.70 115.74 2kd3 s SER 131 Ca 0.07 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 2kd3 s SER 131 Cb -0.05 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2kd3 s SER 131 CO 0.03 0.36 0.06 -0.60 0.41 0.00 0.00 173.24 173.50 2kd3 s ARG 132 N -1.00 0.16 0.07 12.44 3.52 -0.49 -4.91 118.95 128.74 2kd3 s ARG 132 Ca 0.14 -0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.56 2kd3 s ARG 132 Cb -0.11 0.07 -0.06 0.00 -1.56 0.00 0.00 34.95 33.29 2kd3 s ARG 132 CO 0.04 -0.03 0.43 -1.59 -0.81 0.00 0.00 175.30 173.34 2kd3 s LYS 133 N -0.35 3.83 -0.09 5.12 -2.85 -1.26 -2.32 119.74 121.83 2kd3 s LYS 133 Ca -0.04 0.28 -0.04 0.00 -1.00 0.00 0.00 55.97 55.18 2kd3 s LYS 133 Cb -0.03 -3.03 0.05 0.00 -2.06 0.00 0.00 37.83 32.76 2kd3 s LYS 133 CO 0.00 0.58 0.18 0.08 0.10 0.00 0.00 175.35 176.28 2kd3 s VAL 134 N -1.34 -0.26 -0.39 1.79 1.01 0.11 -4.96 120.40 116.36 2kd3 s VAL 134 Ca 0.32 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 2kd3 s VAL 134 Cb -0.15 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2kd3 s VAL 134 CO 0.17 0.14 0.60 -0.13 0.00 0.00 0.00 175.10 175.87 2kd3 s ARG 135 N 2.19 3.48 -0.18 2.72 0.52 -1.26 -0.85 118.95 125.56 2kd3 s ARG 135 Ca 0.01 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.00 2kd3 s ARG 135 Cb -0.12 -3.87 -0.01 0.00 0.52 0.00 0.00 34.95 31.47 2kd3 s ARG 135 CO -0.06 -0.83 -0.10 -0.51 0.02 0.00 0.00 175.30 173.82 2kd3 s LEU 136 N 2.64 2.71 -0.89 2.53 2.01 -0.51 -4.80 118.68 122.37 2kd3 s LEU 136 Ca 0.22 -0.41 -0.24 0.00 0.01 0.00 0.00 54.13 53.71 2kd3 s LEU 136 Cb -0.15 -1.65 -0.19 0.00 0.01 0.00 0.00 46.19 44.21 2kd3 s LEU 136 CO 0.16 0.05 2.16 1.33 1.01 0.00 0.00 176.35 181.06 2kd3 n VAL 137 N 4.29 0.00 0.36 -1.59 0.24 -1.26 0.22 118.33 120.59 2kd3 n VAL 137 Ca -0.19 -0.25 0.13 0.00 -2.04 0.00 0.00 64.34 61.99 2kd3 n VAL 137 Cb 0.51 -1.75 0.55 0.00 -1.47 0.00 0.00 33.84 31.69 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 h ALA 138 N 11.86 1.00 -2.22 2.33 0.00 -1.81 -3.29 119.26 127.12 2kd3 h ALA 138 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kd3 h ALA 138 Cb 1.01 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.54 2kd3 h ALA 138 CO 1.03 0.00 -0.34 0.45 0.00 0.00 0.00 179.25 180.39 2kd3 s SER 139 N -4.64 -0.40 0.10 0.00 0.15 -1.20 -4.94 113.70 102.78 2kd3 s SER 139 Ca 0.03 0.96 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2kd3 s SER 139 Cb 0.09 1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 65.89 2kd3 s SER 139 CO 0.43 -0.24 -0.07 0.00 1.20 0.00 0.00 173.24 174.56 2kd3 s LYS 141 N -3.69 0.21 -0.75 0.00 1.02 -1.26 -4.93 119.74 110.35 2kd3 s LYS 141 Ca 0.11 -0.15 -0.26 0.00 0.02 0.00 0.00 55.97 55.69 2kd3 s LYS 141 Cb 0.04 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 2kd3 s LYS 141 CO -0.04 -0.04 1.89 0.00 -0.92 0.00 0.00 175.35 176.24 2kd3 s LYS 143 N 7.00 0.07 0.00 0.00 2.47 -1.26 -4.87 119.74 123.16 2kd3 s LYS 143 Ca 0.68 0.03 0.00 0.00 -1.56 0.00 0.00 55.97 55.12 2kd3 s LYS 143 Cb -0.10 -0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.11 2kd3 s LYS 143 CO 0.11 -0.04 0.00 0.54 0.16 0.00 0.00 175.35 176.12