#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 1.48 -0.21 4.39 8.00 -1.26 -4.05 116.55 124.91 2kd3 n ASP 49 Ca 0.00 -2.10 -0.09 0.00 0.71 0.00 0.00 54.79 53.31 2kd3 n ASP 49 Cb 0.00 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.00 1.27 -0.00 2.53 2.07 -1.94 -2.53 116.25 118.64 2kd3 h VAL 50 Ca 0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2kd3 h VAL 50 Cb 0.52 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2kd3 h VAL 50 CO 0.05 0.42 -0.11 -1.54 0.02 0.00 0.00 177.57 176.41 2kd3 n SER 51 N -4.20 0.20 0.00 0.57 3.41 -1.26 -3.30 113.62 109.04 2kd3 n SER 51 Ca 0.03 -0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2kd3 n SER 51 Cb 0.34 -0.23 0.49 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.33 1.00 -0.69 4.33 -0.58 -0.95 -3.40 120.64 119.02 2kd3 n GLU 52 Ca 0.10 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.89 2kd3 n GLU 52 Cb 0.31 -1.26 0.32 0.00 -0.57 0.00 0.00 31.44 30.23 2kd3 n GLU 52 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kd3 n TYR 53 N -0.76 1.60 -1.54 -0.32 4.02 -1.21 0.75 117.16 119.71 2kd3 n TYR 53 Ca 0.12 -0.56 -0.43 0.00 -0.01 0.00 0.00 57.90 57.02 2kd3 n TYR 53 Cb 0.06 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 38.92 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2kd3 n SER 54 N 0.52 2.63 -0.63 7.72 7.64 -1.22 -4.59 113.62 125.69 2kd3 n SER 54 Ca 0.22 0.09 -0.01 0.00 1.01 0.00 0.00 58.87 60.18 2kd3 n SER 54 Cb 0.97 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 2kd3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kd3 n ARG 56 N 0.02 -0.16 -2.47 0.00 -4.01 -1.26 -4.72 116.66 104.06 2kd3 n ARG 56 Ca -0.04 -0.25 -0.39 0.00 -1.04 0.00 0.00 57.85 56.14 2kd3 n ARG 56 Cb 0.60 -0.55 -0.03 0.00 -3.04 0.00 0.00 32.46 29.44 2kd3 n ARG 56 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2kd3 s GLU 57 N -2.06 3.34 -0.08 2.89 2.02 -1.26 -4.88 118.70 118.66 2kd3 s GLU 57 Ca 0.11 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 2kd3 s GLU 57 Cb -0.02 -5.09 -0.04 0.00 0.10 0.00 0.00 34.13 29.08 2kd3 s GLU 57 CO 0.09 -2.39 0.05 -0.48 0.02 0.00 0.00 175.26 172.56 2kd3 s LEU 58 N 5.99 3.85 -0.07 1.80 0.05 -1.26 -5.08 118.68 123.95 2kd3 s LEU 58 Ca 0.48 0.24 0.03 0.00 0.05 0.00 0.00 54.13 54.93 2kd3 s LEU 58 Cb -0.03 -1.94 0.01 0.00 -2.05 0.00 0.00 46.19 42.17 2kd3 s LEU 58 CO -0.04 0.37 -0.17 -1.00 -0.55 0.00 0.00 176.35 174.97 2kd3 s HIS 59 N -0.96 1.85 0.12 3.48 3.76 -1.24 -3.44 115.29 118.85 2kd3 s HIS 59 Ca 0.15 -0.69 -0.10 0.00 -0.15 0.00 0.00 55.06 54.27 2kd3 s HIS 59 Cb -0.12 -1.29 -0.00 0.00 1.11 0.00 0.00 32.58 32.29 2kd3 s HIS 59 CO 0.04 -0.31 0.24 1.52 -0.85 0.00 0.00 174.74 175.39 2kd3 s TYR 60 N 0.47 0.20 0.18 1.40 1.13 -0.74 -4.93 117.35 115.06 2kd3 s TYR 60 Ca -0.14 -0.59 -0.30 0.00 -1.41 0.00 0.00 57.07 54.62 2kd3 s TYR 60 Cb -0.16 -0.02 -0.08 0.00 -1.10 0.00 0.00 41.96 40.60 2kd3 s TYR 60 CO 0.05 -0.62 1.08 0.99 -2.51 0.00 0.00 175.55 174.54 2kd3 s THR 61 N -3.89 3.91 0.00 -3.49 2.01 -1.26 -3.01 115.64 109.91 2kd3 s THR 61 Ca 0.09 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2kd3 s THR 61 Cb 0.04 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2kd3 s THR 61 CO -0.07 0.30 0.00 -1.14 -0.69 0.00 0.00 174.62 173.02 2kd3 n ARG 62 N 2.28 0.00 0.00 4.92 3.00 -1.26 -5.01 116.66 120.59 2kd3 n ARG 62 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2kd3 n ARG 62 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 2kd3 n ARG 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kd3 n PHE 63 N 0.00 0.00 -3.64 -0.14 3.72 -1.26 -4.78 117.46 111.35 2kd3 n PHE 63 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2kd3 n PHE 63 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2kd3 s LEU 64 N -1.97 -0.70 -0.03 4.37 2.34 -1.26 -4.86 118.68 116.57 2kd3 s LEU 64 Ca 0.00 1.16 0.04 0.00 0.06 0.00 0.00 54.13 55.39 2kd3 s LEU 64 Cb 0.00 2.09 -0.00 0.00 -0.56 0.00 0.00 46.19 47.72 2kd3 s LEU 64 CO 0.00 -0.19 -0.13 0.42 -1.06 0.00 0.00 176.35 175.39 2kd3 s THR 65 N 1.20 1.11 0.00 5.48 -4.23 -1.26 -0.75 115.64 117.19 2kd3 s THR 65 Ca -0.07 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2kd3 s THR 65 Cb -0.04 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2kd3 s THR 65 CO -0.14 0.33 0.00 -0.90 -0.54 0.00 0.00 174.62 173.37 2kd3 n ASP 66 N 3.10 0.00 -2.51 3.99 5.75 -1.05 -5.04 116.55 120.80 2kd3 n ASP 66 Ca -0.17 -0.43 -0.24 0.00 -0.01 0.00 0.00 54.79 53.94 2kd3 n ASP 66 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kd3 n GLY 67 N 0.00 -1.71 0.00 6.12 0.00 -1.26 -2.83 105.19 105.51 2kd3 n GLY 67 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.82 0.00 -3.48 1.61 -0.02 -1.26 -4.56 135.00 128.12 2kd3 n PRO 68 Ca 0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 2kd3 n PRO 68 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.70 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 0.49 0.43 0.00 0.52 0.11 -2.53 118.95 115.04 2kd3 s ARG 70 Ca 0.00 0.20 -0.05 0.00 -0.52 0.00 0.00 55.73 55.37 2kd3 s ARG 70 Cb -0.01 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 2kd3 s ARG 70 CO -0.07 -0.10 0.72 0.45 0.02 0.00 0.00 175.30 176.32 2kd3 s SER 71 N -0.42 6.31 0.00 0.23 0.15 0.07 0.26 113.70 120.30 2kd3 s SER 71 Ca -0.05 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.48 2kd3 s SER 71 Cb -0.04 -2.20 0.08 0.00 -1.71 0.00 0.00 66.02 62.15 2kd3 s SER 71 CO 0.02 -0.47 0.93 0.00 1.20 0.00 0.00 173.24 174.91 2kd3 n ALA 72 N -1.96 2.21 -1.78 5.45 0.00 -1.26 -4.47 120.51 118.70 2kd3 n ALA 72 Ca -0.01 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.01 2kd3 n ALA 72 Cb 0.55 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 4.36 0.00 0.00 2.47 -1.26 -4.89 119.74 120.42 2kd3 s LYS 73 Ca 0.07 2.20 -0.36 0.00 -1.56 0.00 0.00 55.97 56.32 2kd3 s LYS 73 Cb 0.07 -3.08 -0.15 0.00 -1.46 0.00 0.00 37.83 33.22 2kd3 s LYS 73 CO -0.03 -0.18 1.61 -2.30 0.16 0.00 0.00 175.35 174.60 2kd3 n PRO 74 N 0.89 1.68 -4.27 4.03 -0.02 -1.26 -4.78 135.00 131.28 2kd3 n PRO 74 Ca 0.00 0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 2kd3 n PRO 74 Cb 0.42 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.99 1.16 -0.33 -1.45 -7.23 -1.26 -5.10 120.40 108.18 2kd3 s VAL 75 Ca 0.87 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2kd3 s VAL 75 Cb -0.83 -1.95 0.11 0.00 0.56 0.00 0.00 36.38 34.27 2kd3 s VAL 75 CO 0.49 -0.66 0.14 -0.89 -0.31 0.00 0.00 175.10 173.87 2kd3 s THR 76 N -3.34 0.59 0.28 5.32 2.01 -1.26 -4.65 115.64 114.59 2kd3 s THR 76 Ca 0.19 -1.44 0.09 0.00 0.31 0.00 0.00 61.69 60.84 2kd3 s THR 76 Cb 0.03 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2kd3 s THR 76 CO 0.02 -0.77 0.08 -1.61 -0.69 0.00 0.00 174.62 171.65 2kd3 s GLU 77 N 1.49 2.46 -0.12 4.92 2.02 -1.16 -4.59 118.70 123.71 2kd3 s GLU 77 Ca 0.12 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 2kd3 s GLU 77 Cb -0.19 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 2kd3 s GLU 77 CO -0.21 0.31 -0.08 -0.51 0.02 0.00 0.00 175.26 174.79 2kd3 s LEU 78 N -3.76 3.06 -1.25 1.80 1.02 -0.94 -1.80 118.68 116.82 2kd3 s LEU 78 Ca 0.33 -0.16 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 2kd3 s LEU 78 Cb -0.06 -1.70 0.14 0.00 0.02 0.00 0.00 46.19 44.59 2kd3 s LEU 78 CO 0.22 0.23 1.60 1.33 0.02 0.00 0.00 176.35 179.75 2kd3 n VAL 79 N 3.14 4.16 -2.63 -1.59 0.24 -1.26 -4.88 118.33 115.52 2kd3 n VAL 79 Ca -0.18 -4.47 -0.42 0.00 -2.04 0.00 0.00 64.34 57.24 2kd3 n VAL 79 Cb 0.53 -2.43 -0.03 0.00 -1.47 0.00 0.00 33.84 30.43 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 3.34 1.54 0.22 0.00 0.01 -1.26 -4.62 113.70 112.93 2kd3 s SER 81 Ca 0.36 -0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 2kd3 s SER 81 Cb -0.09 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.64 2kd3 s SER 81 CO 0.19 -0.36 0.51 0.61 0.41 0.00 0.00 173.24 174.60 2kd3 n GLY 82 N 5.32 1.28 3.10 3.44 0.00 -1.23 -4.80 105.19 112.30 2kd3 n GLY 82 Ca -0.04 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.05 2.73 0.21 1.61 -0.21 0.23 0.64 119.66 122.82 2kd3 s GLN 83 Ca 0.10 -0.97 0.25 0.00 0.02 0.00 0.00 55.36 54.76 2kd3 s GLN 83 Cb -0.03 -2.64 0.48 0.00 1.00 0.00 0.00 33.01 31.82 2kd3 s GLN 83 CO 0.07 -0.32 1.50 0.00 -2.12 0.00 0.00 175.29 174.42 2kd3 s GLY 85 N -3.77 1.48 0.00 0.00 0.00 -1.26 -4.89 107.32 98.88 2kd3 s GLY 85 Ca 0.07 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2kd3 s GLY 85 CO 0.67 -1.29 0.00 -1.05 0.00 0.00 0.00 173.10 171.43 2kd3 n PRO 86 N -0.36 0.26 -0.58 2.90 -0.02 -1.26 -4.70 135.00 131.24 2kd3 n PRO 86 Ca 0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2kd3 n PRO 86 Cb 0.65 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.17 2kd3 n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 n ALA 87 N -2.28 4.09 -1.68 3.55 0.00 -1.26 -4.59 120.51 118.34 2kd3 n ALA 87 Ca 0.00 -1.10 -0.45 0.00 0.00 0.00 0.00 53.44 51.90 2kd3 n ALA 87 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2kd3 n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kd3 n ARG 88 N 0.23 2.26 -3.71 0.00 3.00 -1.26 -4.98 116.66 112.19 2kd3 n ARG 88 Ca 0.21 0.81 -0.26 0.00 -0.00 0.00 0.00 57.85 58.62 2kd3 n ARG 88 Cb 0.77 -2.56 -0.03 0.00 0.00 0.00 0.00 32.46 30.64 2kd3 n ARG 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kd3 s LEU 89 N 0.55 4.22 0.92 6.15 2.01 -1.26 -4.44 118.68 126.84 2kd3 s LEU 89 Ca 0.74 0.34 -0.12 0.00 0.01 0.00 0.00 54.13 55.10 2kd3 s LEU 89 Cb -0.63 -3.12 0.15 0.00 0.01 0.00 0.00 46.19 42.59 2kd3 s LEU 89 CO 0.42 -0.07 1.09 -0.76 1.01 0.00 0.00 176.35 178.03 2kd3 s LEU 90 N -3.54 2.15 -0.32 1.79 2.01 -1.26 -4.72 118.68 114.79 2kd3 s LEU 90 Ca 0.38 1.54 -0.29 0.00 0.01 0.00 0.00 54.13 55.76 2kd3 s LEU 90 Cb -0.11 -3.90 -0.07 0.00 0.01 0.00 0.00 46.19 42.12 2kd3 s LEU 90 CO 0.30 -2.83 2.27 -0.81 1.01 0.00 0.00 176.35 176.28 2kd3 n PRO 91 N -4.01 1.54 -3.00 1.29 -0.04 -1.26 -4.88 135.00 124.64 2kd3 n PRO 91 Ca 0.07 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.65 2kd3 n PRO 91 Cb 0.55 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.91 2kd3 n PRO 91 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kd3 n ASN 92 N 12.07 3.40 0.27 3.54 3.02 -1.26 -4.89 115.26 131.41 2kd3 n ASN 92 Ca 0.35 -3.48 0.11 0.00 -0.03 0.00 0.00 54.58 51.52 2kd3 n ASN 92 Cb 0.41 -0.57 0.73 0.00 -0.61 0.00 0.00 39.78 39.73 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kd3 h ALA 93 N 2.98 1.86 -4.33 5.41 0.00 -1.90 -3.45 119.26 119.83 2kd3 h ALA 93 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kd3 h ALA 93 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kd3 h ALA 93 CO 0.72 -0.01 0.00 -0.89 0.00 0.00 0.00 179.25 179.07 2kd3 n ILE 94 N -4.31 0.00 0.00 0.00 5.41 -1.26 0.26 119.36 119.46 2kd3 n ILE 94 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2kd3 n ILE 94 Cb 0.10 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 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 -0.42 2.97 3.56 7.39 0.00 -1.26 -5.03 105.19 112.41 2kd3 n GLY 95 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 2.26 -0.12 1.61 3.52 0.74 -5.12 118.95 121.84 2kd3 s ARG 96 Ca 0.00 -0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 2kd3 s ARG 96 Cb 0.00 -2.35 0.06 0.00 -1.56 0.00 0.00 34.95 31.10 2kd3 s ARG 96 CO 0.00 0.55 0.25 0.08 -0.81 0.00 0.00 175.30 175.37 2kd3 s VAL 97 N -1.07 -0.33 0.00 7.11 1.01 -1.26 -4.40 120.40 121.46 2kd3 s VAL 97 Ca 0.18 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2kd3 s VAL 97 Cb -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2kd3 s VAL 97 CO 0.10 0.11 0.00 2.29 0.00 0.00 0.00 175.10 177.60 2kd3 n LYS 98 N 5.14 0.00 0.06 2.72 2.85 -1.26 -5.02 118.16 122.65 2kd3 n LYS 98 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 2kd3 n LYS 98 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 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 -2.16 -3.69 5.58 4.27 -1.26 -5.08 117.44 115.10 2kd3 n TRP 99 Ca 0.00 0.36 -0.35 0.00 -3.89 0.00 0.00 57.50 53.61 2kd3 n TRP 99 Cb 0.00 1.16 -0.08 0.00 -1.36 0.00 0.00 31.31 31.03 2kd3 n TRP 99 CO 0.00 0.00 0.00 -0.46 -2.29 0.00 0.00 177.69 174.94 2kd3 s TRP 100 N -1.31 3.40 -0.04 -2.67 -0.00 -1.26 -5.09 118.94 111.98 2kd3 s TRP 100 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 2kd3 s TRP 100 Cb 0.00 -2.21 0.03 0.00 -0.00 0.00 0.00 33.47 31.29 2kd3 s TRP 100 CO 0.00 0.24 -0.00 1.03 -0.00 0.00 0.00 176.95 178.22 2kd3 s ARG 101 N 0.51 0.39 0.00 5.86 3.00 -1.26 -4.94 118.95 122.51 2kd3 s ARG 101 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 55.73 55.90 2kd3 s ARG 101 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 34.95 34.23 2kd3 s ARG 101 CO 0.00 -0.17 0.02 -2.30 0.00 0.00 0.00 175.30 172.85 2kd3 n PRO 102 N 4.38 0.00 -0.10 3.54 -0.02 -1.26 -4.55 135.00 136.99 2kd3 n PRO 102 Ca -0.21 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.34 2kd3 n PRO 102 Cb 0.50 -0.34 0.26 0.00 -0.02 0.00 0.00 33.50 33.90 2kd3 n PRO 102 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kd3 n ASN 103 N 0.89 1.30 0.00 2.55 3.02 -1.26 -4.96 115.26 116.80 2kd3 n ASN 103 Ca 0.00 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 2kd3 n ASN 103 Cb 0.01 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2kd3 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd3 n GLY 104 N 0.97 4.05 3.73 7.41 0.00 -1.26 -5.11 105.19 114.98 2kd3 n GLY 104 Ca 0.12 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.25 2.08 1.04 1.61 0.04 -1.26 -4.96 135.00 129.29 2kd3 s PRO 105 Ca 0.00 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2kd3 s PRO 105 Cb 0.00 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.77 2kd3 s PRO 105 CO 0.00 -1.82 0.28 -0.40 0.04 0.00 0.00 177.00 175.10 2kd3 n ASP 106 N -3.14 -2.12 -4.38 6.66 5.68 -1.26 -5.02 116.55 112.97 2kd3 n ASP 106 Ca 0.11 0.11 -0.29 0.00 -0.50 0.00 0.00 54.79 54.22 2kd3 n ASP 106 Cb 0.52 -1.11 -0.13 0.00 -1.14 0.00 0.00 41.12 39.25 2kd3 n ASP 106 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2kd3 s PHE 107 N -2.33 2.31 -0.29 2.11 0.40 -1.26 -4.90 117.98 114.02 2kd3 s PHE 107 Ca 0.57 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.34 2kd3 s PHE 107 Cb -0.17 -1.28 0.14 0.00 0.51 0.00 0.00 43.02 42.21 2kd3 s PHE 107 CO 0.66 0.28 0.98 0.50 0.70 0.00 0.00 175.22 178.35 2kd3 s ARG 108 N -1.84 0.40 -0.18 0.44 3.52 0.31 -4.04 118.95 117.55 2kd3 s ARG 108 Ca 0.13 0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 56.10 2kd3 s ARG 108 Cb -0.10 0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 2kd3 s ARG 108 CO 0.05 -0.08 2.06 0.00 -0.81 0.00 0.00 175.30 176.52 2kd3 s ILE 110 N 7.03 1.39 0.77 0.00 2.07 -1.23 -3.58 121.20 127.65 2kd3 s ILE 110 Ca 0.93 -1.06 -0.15 0.00 -1.41 0.00 0.00 60.65 58.96 2kd3 s ILE 110 Cb -0.33 -1.22 0.03 0.00 0.13 0.00 0.00 42.46 41.07 2kd3 s ILE 110 CO 0.36 0.13 0.95 -2.65 -1.91 0.00 0.00 174.94 171.81 2kd3 n PRO 111 N 1.94 0.31 0.07 3.50 -0.02 -1.26 -4.24 135.00 135.30 2kd3 n PRO 111 Ca -0.17 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2kd3 n PRO 111 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.01 0.75 -4.65 2.55 2.03 -1.26 -4.90 116.55 109.07 2kd3 n ASP 112 Ca 0.12 0.21 -0.25 0.00 0.52 0.00 0.00 54.79 55.39 2kd3 n ASP 112 Cb 0.50 -0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.93 2.33 0.19 -0.67 3.52 -1.24 -5.09 118.95 116.06 2kd3 s ARG 113 Ca 0.00 -1.24 0.02 0.00 -0.13 0.00 0.00 55.73 54.38 2kd3 s ARG 113 Cb 0.00 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 31.08 2kd3 s ARG 113 CO 0.00 0.42 0.02 0.71 -0.81 0.00 0.00 175.30 175.64 2kd3 s TYR 114 N -1.94 1.30 0.09 5.12 1.51 -1.26 -3.89 117.35 118.27 2kd3 s TYR 114 Ca 0.29 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.33 2kd3 s TYR 114 Cb -0.08 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 2kd3 s TYR 114 CO 0.19 -0.22 0.15 0.50 -1.11 0.00 0.00 175.55 175.05 2kd3 s ARG 115 N -3.93 3.11 -0.18 -0.62 3.52 0.75 -4.71 118.95 116.88 2kd3 s ARG 115 Ca 0.27 -0.63 -0.20 0.00 -0.13 0.00 0.00 55.73 55.04 2kd3 s ARG 115 Cb 0.06 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2kd3 s ARG 115 CO 0.06 0.56 0.56 0.00 -0.81 0.00 0.00 175.30 175.68 2kd3 s ALA 116 N -1.52 3.52 -0.05 6.12 0.00 -1.26 -0.85 121.76 127.73 2kd3 s ALA 116 Ca 0.32 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2kd3 s ALA 116 Cb -0.12 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.15 2kd3 s ALA 116 CO 0.25 -0.42 -0.09 -0.65 0.00 0.00 0.00 175.76 174.85 2kd3 s GLN 117 N 1.58 1.23 -0.38 0.00 -1.52 -0.99 -4.99 119.66 114.60 2kd3 s GLN 117 Ca 0.27 -0.28 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 2kd3 s GLN 117 Cb -0.16 -1.09 0.11 0.00 -0.22 0.00 0.00 33.01 31.65 2kd3 s GLN 117 CO 0.10 0.01 0.15 1.03 -0.25 0.00 0.00 175.29 176.34 2kd3 s ARG 118 N 0.63 1.20 0.06 2.91 0.52 -1.26 -0.35 118.95 122.66 2kd3 s ARG 118 Ca -0.11 -1.71 0.09 0.00 -0.52 0.00 0.00 55.73 53.48 2kd3 s ARG 118 Cb -0.14 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2kd3 s ARG 118 CO 0.02 -1.05 -0.25 0.08 0.02 0.00 0.00 175.30 174.12 2kd3 s VAL 119 N 0.85 2.29 0.04 3.52 1.01 -0.94 -4.84 120.40 122.33 2kd3 s VAL 119 Ca 0.13 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 2kd3 s VAL 119 Cb -0.21 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2kd3 s VAL 119 CO -0.10 0.31 1.00 0.00 0.00 0.00 0.00 175.10 176.31 2kd3 s GLN 120 N -1.42 4.58 -0.09 2.72 -2.07 -1.26 -2.24 119.66 119.89 2kd3 s GLN 120 Ca 0.13 1.47 -0.30 0.00 -1.82 0.00 0.00 55.36 54.84 2kd3 s GLN 120 Cb -0.10 -3.42 -0.02 0.00 -1.09 0.00 0.00 33.01 28.38 2kd3 s GLN 120 CO 0.03 -0.01 1.07 -0.51 -1.32 0.00 0.00 175.29 174.56 2kd3 s LEU 121 N 0.74 4.26 -0.02 2.60 1.02 0.51 -4.45 118.68 123.34 2kd3 s LEU 121 Ca 0.51 1.63 -0.24 0.00 0.02 0.00 0.00 54.13 56.05 2kd3 s LEU 121 Cb -0.23 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 2kd3 s LEU 121 CO 0.29 -0.49 0.73 -0.76 0.02 0.00 0.00 176.35 176.14 2kd3 s LEU 122 N 2.05 4.37 0.26 1.79 1.02 0.73 -2.41 118.68 126.48 2kd3 s LEU 122 Ca 0.51 1.30 0.08 0.00 0.02 0.00 0.00 54.13 56.04 2kd3 s LEU 122 Cb -0.20 -3.15 -0.04 0.00 0.02 0.00 0.00 46.19 42.82 2kd3 s LEU 122 CO 0.20 -0.06 0.12 0.00 0.02 0.00 0.00 176.35 176.62 2kd3 n PRO 124 N -1.06 1.11 0.00 0.00 -0.02 -1.26 0.13 135.00 133.90 2kd3 n PRO 124 Ca -0.07 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2kd3 n PRO 124 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 6.32 0.86 2.21 -1.23 0.00 -1.26 -4.24 105.19 107.85 2kd3 n GLY 125 Ca 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.68 0.26 -0.02 0.00 0.35 -4.91 105.19 99.54 2kd3 n GLY 126 Ca 0.00 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 0.29 3.34 -2.65 4.61 0.00 -1.26 -4.40 120.51 120.44 2kd3 n ALA 127 Ca -0.09 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2kd3 n ALA 127 Cb 0.37 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.66 3.88 -1.77 0.00 0.00 -1.26 -5.06 120.51 115.64 2kd3 n ALA 128 Ca 0.10 -3.57 -0.40 0.00 0.00 0.00 0.00 53.44 49.56 2kd3 n ALA 128 Cb 0.37 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 2kd3 n ALA 128 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kd3 s PRO 129 N -3.22 4.42 -0.04 0.00 0.04 -1.26 -4.33 135.00 130.61 2kd3 s PRO 129 Ca 0.35 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 2kd3 s PRO 129 Cb 0.43 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.90 2kd3 s PRO 129 CO -0.05 -0.09 0.09 1.03 0.04 0.00 0.00 177.00 178.03 2kd3 s ARG 130 N -1.72 0.06 0.06 4.56 0.52 -1.01 -4.89 118.95 116.53 2kd3 s ARG 130 Ca 0.48 0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.66 2kd3 s ARG 130 Cb -0.37 -0.10 -0.06 0.00 0.52 0.00 0.00 34.95 34.94 2kd3 s ARG 130 CO 0.49 -0.10 0.75 0.45 0.02 0.00 0.00 175.30 176.91 2kd3 s SER 131 N 0.67 7.22 -0.04 0.23 0.15 -1.26 0.19 113.70 120.86 2kd3 s SER 131 Ca -0.05 1.45 -0.05 0.00 0.70 0.00 0.00 55.95 58.01 2kd3 s SER 131 Cb -0.07 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2kd3 s SER 131 CO -0.03 0.05 0.12 -0.60 1.20 0.00 0.00 173.24 173.99 2kd3 s ARG 132 N -0.24 0.17 -0.10 5.44 3.52 -0.95 -4.94 118.95 121.86 2kd3 s ARG 132 Ca 0.37 0.12 -0.09 0.00 -0.13 0.00 0.00 55.73 56.00 2kd3 s ARG 132 Cb -0.21 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 2kd3 s ARG 132 CO 0.23 -0.03 0.20 -1.59 -0.81 0.00 0.00 175.30 173.31 2kd3 s LYS 133 N -0.07 3.61 -0.09 5.12 -2.85 -1.26 -2.22 119.74 121.98 2kd3 s LYS 133 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 55.97 54.91 2kd3 s LYS 133 Cb -0.02 -3.22 0.05 0.00 -2.06 0.00 0.00 37.83 32.58 2kd3 s LYS 133 CO 0.00 0.72 0.21 0.14 0.10 0.00 0.00 175.35 176.52 2kd3 s VAL 134 N -0.92 -0.09 -0.19 1.79 -7.23 0.53 -4.98 120.40 109.32 2kd3 s VAL 134 Ca 0.17 0.18 -0.28 0.00 -1.81 0.00 0.00 61.98 60.24 2kd3 s VAL 134 Cb -0.13 -0.33 -0.00 0.00 0.56 0.00 0.00 36.38 36.47 2kd3 s VAL 134 CO 0.06 0.08 0.96 -0.13 -0.31 0.00 0.00 175.10 175.75 2kd3 s ARG 135 N 1.39 4.30 -0.14 4.82 0.52 -1.26 -2.34 118.95 126.24 2kd3 s ARG 135 Ca -0.08 1.24 0.01 0.00 -0.52 0.00 0.00 55.73 56.39 2kd3 s ARG 135 Cb -0.11 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.76 2kd3 s ARG 135 CO -0.07 -0.47 -0.18 -0.51 0.02 0.00 0.00 175.30 174.09 2kd3 s LEU 136 N 2.63 2.36 -0.94 2.53 1.43 -0.03 -4.79 118.68 121.87 2kd3 s LEU 136 Ca 0.43 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 2kd3 s LEU 136 Cb -0.16 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2kd3 s LEU 136 CO 0.11 0.10 1.87 0.68 0.23 0.00 0.00 176.35 179.34 2kd3 s VAL 137 N 0.73 3.53 -1.06 -1.59 -7.23 -1.25 0.27 120.40 113.79 2kd3 s VAL 137 Ca -0.08 -0.47 0.27 0.00 -1.81 0.00 0.00 61.98 59.90 2kd3 s VAL 137 Cb -0.16 -4.19 0.26 0.00 0.56 0.00 0.00 36.38 32.85 2kd3 s VAL 137 CO 0.01 -1.10 1.87 0.00 -0.31 0.00 0.00 175.10 175.57 2kd3 n ALA 138 N 13.21 2.25 -3.65 1.32 0.00 -1.25 -2.21 120.51 130.18 2kd3 n ALA 138 Ca 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 2kd3 n ALA 138 Cb 0.47 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.94 -0.96 0.10 0.00 1.04 -1.26 -4.87 113.70 104.81 2kd3 s SER 139 Ca 0.15 1.46 0.03 0.00 0.48 0.00 0.00 55.95 58.06 2kd3 s SER 139 Cb 0.18 2.11 -0.04 0.00 0.10 0.00 0.00 66.02 68.37 2kd3 s SER 139 CO 0.48 -0.22 -0.08 0.00 0.98 0.00 0.00 173.24 174.40 2kd3 s LYS 141 N -3.27 1.25 -0.70 0.00 1.02 -1.26 -4.95 119.74 111.83 2kd3 s LYS 141 Ca 0.08 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 54.81 2kd3 s LYS 141 Cb 0.01 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 2kd3 s LYS 141 CO -0.02 0.35 1.52 0.00 -0.92 0.00 0.00 175.35 176.27 2kd3 s LYS 143 N 6.25 0.68 0.00 0.00 -0.14 -1.26 -4.87 119.74 120.40 2kd3 s LYS 143 Ca 0.48 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 2kd3 s LYS 143 Cb -0.10 0.00 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 2kd3 s LYS 143 CO 0.16 -0.06 0.00 0.54 -0.76 0.00 0.00 175.35 175.24