#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 1.50 0.00 4.39 8.00 -1.26 -3.88 116.55 125.30 2kd3 n ASP 49 Ca 0.00 -2.11 0.11 0.00 0.71 0.00 0.00 54.79 53.51 2kd3 n ASP 49 Cb 0.00 -0.33 0.61 0.00 -0.02 0.00 0.00 41.12 41.38 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2kd3 n VAL 50 N 0.07 0.20 0.28 2.53 0.31 -1.26 -2.99 118.33 117.47 2kd3 n VAL 50 Ca 0.06 0.05 0.16 0.00 -0.01 0.00 0.00 64.34 64.60 2kd3 n VAL 50 Cb 0.31 -0.68 0.84 0.00 -0.91 0.00 0.00 33.84 33.39 2kd3 n VAL 50 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2kd3 h SER 51 N 0.00 0.00 -0.39 4.52 4.64 -2.00 0.97 113.55 121.29 2kd3 h SER 51 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kd3 h SER 51 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2kd3 h SER 51 CO 0.00 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 2kd3 n GLU 52 N -3.40 1.99 0.00 4.77 1.02 -1.16 -4.12 120.64 119.74 2kd3 n GLU 52 Ca -0.02 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 2kd3 n GLU 52 Cb 0.21 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2kd3 n GLU 52 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2kd3 n TYR 53 N 0.63 0.00 -0.98 -0.32 9.36 0.28 -4.54 117.16 121.60 2kd3 n TYR 53 Ca 0.13 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.93 2kd3 n TYR 53 Cb 0.36 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.00 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2kd3 n SER 54 N -2.23 0.64 -4.55 2.98 7.64 -0.87 0.35 113.62 117.59 2kd3 n SER 54 Ca 0.00 0.61 -0.39 0.00 1.01 0.00 0.00 58.87 60.09 2kd3 n SER 54 Cb 0.47 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 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 9.22 0.34 -0.22 0.00 1.74 -1.25 -4.78 116.66 121.71 2kd3 n ARG 56 Ca 0.14 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 2kd3 n ARG 56 Cb 0.50 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.06 2kd3 n ARG 56 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kd3 n GLU 57 N 0.00 1.99 -2.24 5.56 1.02 -1.26 -4.91 120.64 120.80 2kd3 n GLU 57 Ca 0.00 -0.97 -0.31 0.00 -0.02 0.00 0.00 57.16 55.86 2kd3 n GLU 57 Cb 0.00 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 2kd3 n GLU 57 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2kd3 s LEU 58 N -0.94 3.48 -0.06 -4.62 -0.00 -1.26 -5.09 118.68 110.19 2kd3 s LEU 58 Ca 0.17 1.42 -0.09 0.00 -0.00 0.00 0.00 54.13 55.63 2kd3 s LEU 58 Cb 0.12 -4.40 0.02 0.00 -0.00 0.00 0.00 46.19 41.92 2kd3 s LEU 58 CO 0.08 -0.69 0.23 -1.00 -0.00 0.00 0.00 176.35 174.97 2kd3 s HIS 59 N -2.84 -0.18 0.07 3.48 3.76 -1.26 -4.34 115.29 113.98 2kd3 s HIS 59 Ca 0.56 0.40 0.10 0.00 -0.15 0.00 0.00 55.06 55.96 2kd3 s HIS 59 Cb -0.10 0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.61 2kd3 s HIS 59 CO 0.42 -0.21 -0.26 0.71 -0.85 0.00 0.00 174.74 174.54 2kd3 s TYR 60 N -0.47 2.33 -0.71 1.40 2.02 0.73 -4.88 117.35 117.77 2kd3 s TYR 60 Ca -0.06 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 2kd3 s TYR 60 Cb -0.04 -1.36 0.18 0.00 -0.40 0.00 0.00 41.96 40.35 2kd3 s TYR 60 CO 0.01 0.18 0.56 0.95 -1.57 0.00 0.00 175.55 175.68 2kd3 s THR 61 N -0.88 4.21 -0.16 -0.71 -4.23 -1.26 0.49 115.64 113.10 2kd3 s THR 61 Ca 0.12 -2.99 0.02 0.00 -1.18 0.00 0.00 61.69 57.66 2kd3 s THR 61 Cb -0.10 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.07 2kd3 s THR 61 CO 0.03 -0.94 -0.21 -0.60 -0.54 0.00 0.00 174.62 172.36 2kd3 s ARG 62 N -0.20 3.01 0.00 3.99 3.52 -1.26 -4.97 118.95 123.03 2kd3 s ARG 62 Ca 0.19 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2kd3 s ARG 62 Cb -0.17 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2kd3 s ARG 62 CO -0.05 -0.12 0.00 1.19 -0.81 0.00 0.00 175.30 175.51 2kd3 n PHE 63 N 4.36 0.00 -3.64 5.12 3.72 -1.26 -4.79 117.46 120.97 2kd3 n PHE 63 Ca -0.21 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.41 -0.37 -0.03 4.37 2.34 -1.26 -4.80 118.68 116.52 2kd3 s LEU 64 Ca 0.00 0.71 0.01 0.00 0.06 0.00 0.00 54.13 54.91 2kd3 s LEU 64 Cb 0.00 1.72 0.02 0.00 -0.56 0.00 0.00 46.19 47.36 2kd3 s LEU 64 CO 0.00 -0.12 -0.05 0.42 -1.06 0.00 0.00 176.35 175.53 2kd3 s THR 65 N 0.20 0.56 0.00 5.48 -4.23 -1.26 -0.85 115.64 115.54 2kd3 s THR 65 Ca 0.04 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2kd3 s THR 65 Cb -0.05 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.23 2kd3 s THR 65 CO -0.08 0.21 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 2kd3 n ASP 66 N 3.75 0.00 -1.84 3.99 8.00 -1.10 -5.04 116.55 124.31 2kd3 n ASP 66 Ca -0.23 -0.38 -0.19 0.00 0.71 0.00 0.00 54.79 54.71 2kd3 n ASP 66 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.00 -1.01 0.00 0.44 0.00 -1.26 -2.75 105.19 100.61 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 0.52 0.00 -3.60 1.61 -0.02 -1.26 -4.57 135.00 127.67 2kd3 n PRO 68 Ca 0.06 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.46 2kd3 n PRO 68 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.61 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 -3.37 0.60 0.53 0.00 3.52 0.64 -2.70 118.95 118.18 2kd3 s ARG 70 Ca 0.07 0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 55.99 2kd3 s ARG 70 Cb -0.02 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2kd3 s ARG 70 CO -0.05 -0.12 0.85 0.45 -0.81 0.00 0.00 175.30 175.63 2kd3 s SER 71 N -0.28 6.05 0.00 -2.12 0.15 -0.03 0.82 113.70 118.29 2kd3 s SER 71 Ca -0.04 0.92 0.23 0.00 0.70 0.00 0.00 55.95 57.76 2kd3 s SER 71 Cb -0.03 -2.11 0.39 0.00 -1.71 0.00 0.00 66.02 62.56 2kd3 s SER 71 CO 0.02 -0.77 1.15 0.00 1.20 0.00 0.00 173.24 174.85 2kd3 n ALA 72 N -2.42 2.38 -2.18 5.45 0.00 -1.26 -4.46 120.51 118.02 2kd3 n ALA 72 Ca 0.02 -2.20 -0.41 0.00 0.00 0.00 0.00 53.44 50.85 2kd3 n ALA 72 Cb 0.56 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 4.48 -0.04 0.00 2.36 -1.26 -4.94 119.74 120.33 2kd3 s LYS 73 Ca 0.31 1.83 -0.35 0.00 -2.55 0.00 0.00 55.97 55.21 2kd3 s LYS 73 Cb 0.35 -3.28 -0.13 0.00 -1.05 0.00 0.00 37.83 33.73 2kd3 s LYS 73 CO -0.15 -0.14 1.80 -2.30 1.55 0.00 0.00 175.35 176.11 2kd3 n PRO 74 N 3.01 2.09 -4.17 4.03 -0.02 -1.26 -4.69 135.00 134.00 2kd3 n PRO 74 Ca 0.06 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2kd3 n PRO 74 Cb 0.45 -2.58 -0.10 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 3.31 0.72 -0.12 -1.45 -7.23 -1.26 -5.10 120.40 109.27 2kd3 s VAL 75 Ca 0.90 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2kd3 s VAL 75 Cb -0.72 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 2kd3 s VAL 75 CO 0.49 -0.84 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.34 2kd3 s THR 76 N -3.51 2.30 -0.01 5.32 2.01 -1.26 -4.45 115.64 116.04 2kd3 s THR 76 Ca 0.11 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2kd3 s THR 76 Cb 0.04 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2kd3 s THR 76 CO -0.04 0.55 -0.11 -0.70 -0.69 0.00 0.00 174.62 173.63 2kd3 s GLU 77 N 0.46 0.92 0.01 4.92 2.12 0.18 -4.64 118.70 122.67 2kd3 s GLU 77 Ca -0.14 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 54.84 2kd3 s GLU 77 Cb -0.17 -0.88 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 2kd3 s GLU 77 CO 0.06 0.22 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.41 2kd3 s LEU 78 N -0.18 3.12 -0.71 2.70 1.02 -1.26 0.26 118.68 123.63 2kd3 s LEU 78 Ca 0.03 -0.17 -0.15 0.00 0.02 0.00 0.00 54.13 53.86 2kd3 s LEU 78 Cb -0.05 -1.79 0.18 0.00 0.02 0.00 0.00 46.19 44.55 2kd3 s LEU 78 CO -0.00 0.28 0.66 0.68 0.02 0.00 0.00 176.35 177.99 2kd3 s VAL 79 N -0.99 5.42 -0.29 -1.59 -7.23 -1.26 -4.93 120.40 109.53 2kd3 s VAL 79 Ca 0.17 -2.11 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 2kd3 s VAL 79 Cb -0.11 -4.40 -0.03 0.00 0.56 0.00 0.00 36.38 32.40 2kd3 s VAL 79 CO 0.07 -0.96 0.39 0.00 -0.31 0.00 0.00 175.10 174.29 2kd3 s SER 81 N 1.67 -1.48 0.00 0.00 0.15 1.10 -3.98 113.70 111.16 2kd3 s SER 81 Ca 0.15 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2kd3 s SER 81 Cb -0.16 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 2kd3 s SER 81 CO 0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2kd3 n GLY 82 N 4.94 3.30 3.45 9.45 0.00 -1.26 -1.96 105.19 123.11 2kd3 n GLY 82 Ca 0.08 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 1.52 1.63 0.00 1.61 -0.21 -1.21 -1.99 119.66 121.00 2kd3 s GLN 83 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.63 2kd3 s GLN 83 Cb 0.00 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.34 2kd3 s GLN 83 CO 0.00 0.30 0.00 0.00 -2.12 0.00 0.00 175.29 173.47 2kd3 s GLY 85 N -3.50 2.21 0.64 0.00 0.00 -1.26 -5.09 107.32 100.32 2kd3 s GLY 85 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 2kd3 s GLY 85 CO 0.00 -1.78 0.59 -1.05 0.00 0.00 0.00 173.10 170.86 2kd3 n PRO 86 N -1.47 0.48 -0.09 2.90 -0.02 -1.26 -4.86 135.00 130.69 2kd3 n PRO 86 Ca 0.02 0.20 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2kd3 n PRO 86 Cb 0.63 -1.82 0.05 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.99 2.57 -1.98 3.55 0.00 -1.26 -4.89 120.51 116.52 2kd3 n ALA 87 Ca 0.11 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2kd3 n ALA 87 Cb 0.48 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.62 4.32 -0.17 0.00 6.06 -1.26 -4.45 118.95 121.83 2kd3 s ARG 88 Ca 0.08 2.17 -0.13 0.00 -2.50 0.00 0.00 55.73 55.35 2kd3 s ARG 88 Cb 0.05 -3.17 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 2kd3 s ARG 88 CO 0.04 -0.37 0.25 -0.51 -2.50 0.00 0.00 175.30 172.20 2kd3 s LEU 89 N 0.12 4.23 -0.54 -0.88 2.01 -1.26 -4.90 118.68 117.46 2kd3 s LEU 89 Ca 0.60 0.42 0.00 0.00 0.01 0.00 0.00 54.13 55.17 2kd3 s LEU 89 Cb -0.39 -2.29 0.14 0.00 0.01 0.00 0.00 46.19 43.66 2kd3 s LEU 89 CO 0.38 0.12 0.32 -0.76 1.01 0.00 0.00 176.35 177.42 2kd3 s LEU 90 N 0.46 4.88 -0.91 1.79 1.43 -1.26 -5.04 118.68 120.03 2kd3 s LEU 90 Ca 0.14 -2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 50.30 2kd3 s LEU 90 Cb -0.12 -1.76 -0.25 0.00 0.03 0.00 0.00 46.19 44.08 2kd3 s LEU 90 CO 0.02 -0.34 2.28 -2.65 0.23 0.00 0.00 176.35 175.89 2kd3 n PRO 91 N 3.52 0.23 -3.18 1.29 -0.02 -1.26 -4.75 135.00 130.83 2kd3 n PRO 91 Ca 0.06 -0.32 -0.23 0.00 -2.02 0.00 0.00 63.50 60.98 2kd3 n PRO 91 Cb 0.36 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2kd3 n PRO 91 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kd3 n ASN 92 N 10.93 0.19 0.00 2.55 5.15 -1.26 -4.93 115.26 127.88 2kd3 n ASN 92 Ca 0.59 -2.74 0.05 0.00 -0.60 0.00 0.00 54.58 51.88 2kd3 n ASN 92 Cb 0.25 -0.59 0.21 0.00 -0.53 0.00 0.00 39.78 39.12 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kd3 n ALA 93 N 1.29 1.46 -2.11 5.20 0.00 -1.26 -4.81 120.51 120.27 2kd3 n ALA 93 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2kd3 n ALA 93 Cb 0.55 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.48 0.00 0.00 0.00 5.41 -1.26 0.22 119.36 122.25 2kd3 n ILE 94 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2kd3 n ILE 94 Cb 0.11 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 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 2.68 3.19 7.39 0.00 -1.26 -4.98 105.19 111.79 2kd3 n GLY 95 Ca 0.01 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 2.01 -0.16 1.61 3.52 0.59 -5.12 118.95 121.39 2kd3 s ARG 96 Ca 0.00 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 2kd3 s ARG 96 Cb 0.00 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.61 2kd3 s ARG 96 CO 0.00 0.32 -0.06 0.08 -0.81 0.00 0.00 175.30 174.82 2kd3 s VAL 97 N -0.10 3.59 0.00 7.11 1.01 -1.25 -4.70 120.40 126.05 2kd3 s VAL 97 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2kd3 s VAL 97 Cb -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2kd3 s VAL 97 CO 0.02 0.49 0.51 2.29 0.00 0.00 0.00 175.10 178.41 2kd3 n LYS 98 N 3.72 0.00 0.00 2.72 2.85 -1.26 -5.08 118.16 121.11 2kd3 n LYS 98 Ca -0.18 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2kd3 n LYS 98 Cb 0.52 0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.33 5.58 4.27 -1.26 -5.15 117.44 120.55 2kd3 n TRP 99 Ca -0.01 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.31 2kd3 n TRP 99 Cb 0.50 0.00 0.29 0.00 -1.36 0.00 0.00 31.31 30.74 2kd3 n TRP 99 CO 0.00 0.00 0.00 1.67 -2.29 0.00 0.00 177.69 177.07 2kd3 s TRP 100 N 1.00 -0.00 0.00 -2.67 -2.14 -1.26 -4.66 118.94 109.21 2kd3 s TRP 100 Ca 0.00 0.82 0.00 0.00 2.66 0.00 0.00 56.10 59.58 2kd3 s TRP 100 Cb 0.00 -2.91 0.00 0.00 -3.10 0.00 0.00 33.47 27.46 2kd3 s TRP 100 CO 0.00 -4.75 0.00 0.54 -2.66 0.00 0.00 176.95 170.08 2kd3 n ARG 101 N -5.51 0.00 0.10 3.25 3.00 -1.25 -4.96 116.66 111.29 2kd3 n ARG 101 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.97 2kd3 n ARG 101 Cb 0.58 0.00 0.24 0.00 0.00 0.00 0.00 32.46 33.28 2kd3 n ARG 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2kd3 n PRO 102 N -1.22 0.06 -0.03 5.56 -0.04 -1.26 -0.76 135.00 137.30 2kd3 n PRO 102 Ca 0.00 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 63.97 2kd3 n PRO 102 Cb 0.00 -1.94 0.14 0.00 -0.04 0.00 0.00 33.50 31.66 2kd3 n PRO 102 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kd3 n ASN 103 N -1.79 0.36 0.00 3.54 3.02 -1.26 -4.94 115.26 114.19 2kd3 n ASN 103 Ca -0.01 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 2kd3 n ASN 103 Cb 0.26 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.67 3.87 3.74 7.41 0.00 0.06 -5.09 105.19 115.84 2kd3 n GLY 104 Ca 0.05 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.03 4.54 -0.04 1.61 0.04 -1.26 -3.85 135.00 132.01 2kd3 s PRO 105 Ca 0.00 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 2kd3 s PRO 105 Cb 0.00 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2kd3 s PRO 105 CO 0.00 0.22 0.77 -0.51 0.04 0.00 0.00 177.00 177.52 2kd3 s ASP 106 N 0.13 7.10 0.00 6.66 1.01 -1.26 -4.86 116.67 125.45 2kd3 s ASP 106 Ca 0.41 1.32 0.00 0.00 0.71 0.00 0.00 52.55 55.00 2kd3 s ASP 106 Cb -0.21 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2kd3 s ASP 106 CO 0.24 -0.14 0.74 0.49 0.21 0.00 0.00 175.17 176.72 2kd3 n PHE 107 N 3.71 0.00 -0.89 4.23 3.72 -1.26 -4.76 117.46 122.21 2kd3 n PHE 107 Ca 0.00 -0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 56.76 2kd3 n PHE 107 Cb 0.51 0.39 0.08 0.00 -0.94 0.00 0.00 39.48 39.53 2kd3 n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2kd3 n ARG 108 N 0.00 -0.32 -3.21 -1.08 1.74 -0.84 -3.34 116.66 109.60 2kd3 n ARG 108 Ca -0.16 -0.08 -0.44 0.00 -0.77 0.00 0.00 57.85 56.40 2kd3 n ARG 108 Cb 0.58 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 2kd3 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kd3 s ILE 110 N 2.42 4.12 0.21 0.00 -5.25 -0.92 -3.52 121.20 118.25 2kd3 s ILE 110 Ca 0.13 -0.88 -0.32 0.00 -0.99 0.00 0.00 60.65 58.59 2kd3 s ILE 110 Cb -0.19 -2.95 -0.12 0.00 2.95 0.00 0.00 42.46 42.15 2kd3 s ILE 110 CO 0.12 0.17 1.70 -2.16 -1.79 0.00 0.00 174.94 172.97 2kd3 s PRO 111 N -2.19 4.14 -0.02 0.37 0.04 -1.26 -3.43 135.00 132.64 2kd3 s PRO 111 Ca 0.25 2.58 -0.02 0.00 0.04 0.00 0.00 61.00 63.85 2kd3 s PRO 111 Cb -0.12 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 2kd3 s PRO 111 CO 0.17 -0.73 -0.04 -0.25 0.04 0.00 0.00 177.00 176.19 2kd3 n ASP 112 N 3.92 0.27 -4.31 6.66 8.00 -1.25 -4.95 116.55 124.88 2kd3 n ASP 112 Ca 0.15 0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 2kd3 n ASP 112 Cb 0.36 -0.54 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.24 1.38 0.21 -1.24 3.52 -1.20 -5.09 118.95 115.29 2kd3 s ARG 113 Ca -0.04 -1.13 0.11 0.00 -0.13 0.00 0.00 55.73 54.55 2kd3 s ARG 113 Cb 0.00 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.71 2kd3 s ARG 113 CO 0.05 0.40 -0.22 0.71 -0.81 0.00 0.00 175.30 175.43 2kd3 s TYR 114 N -0.97 2.23 0.02 5.12 1.51 -1.26 -2.75 117.35 121.25 2kd3 s TYR 114 Ca 0.09 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 2kd3 s TYR 114 Cb -0.10 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2kd3 s TYR 114 CO 0.03 0.53 0.35 0.50 -1.11 0.00 0.00 175.55 175.86 2kd3 s ARG 115 N -2.92 3.75 0.02 -0.62 3.52 0.62 -4.71 118.95 118.60 2kd3 s ARG 115 Ca 0.23 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 2kd3 s ARG 115 Cb -0.07 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 2kd3 s ARG 115 CO 0.11 0.65 0.95 0.00 -0.81 0.00 0.00 175.30 176.20 2kd3 s ALA 116 N -1.23 3.19 -0.06 6.12 0.00 -1.26 -1.59 121.76 126.93 2kd3 s ALA 116 Ca 0.27 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2kd3 s ALA 116 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2kd3 s ALA 116 CO 0.14 -0.18 -0.08 -0.65 0.00 0.00 0.00 175.76 175.00 2kd3 s GLN 117 N 0.78 1.25 -0.37 0.00 -1.52 -0.88 -4.99 119.66 113.94 2kd3 s GLN 117 Ca 0.50 -0.23 0.01 0.00 -1.95 0.00 0.00 55.36 53.69 2kd3 s GLN 117 Cb -0.21 -1.18 0.11 0.00 -0.22 0.00 0.00 33.01 31.52 2kd3 s GLN 117 CO 0.28 -0.08 0.15 1.03 -0.25 0.00 0.00 175.29 176.41 2kd3 s ARG 118 N 1.01 1.04 0.04 2.91 0.52 -1.26 -0.89 118.95 122.33 2kd3 s ARG 118 Ca -0.09 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 53.65 2kd3 s ARG 118 Cb -0.14 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 2kd3 s ARG 118 CO -0.00 -1.05 -0.24 0.08 0.02 0.00 0.00 175.30 174.11 2kd3 s VAL 119 N 1.02 1.93 -0.20 3.52 1.01 -1.03 -4.90 120.40 121.75 2kd3 s VAL 119 Ca 0.13 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 2kd3 s VAL 119 Cb -0.20 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2kd3 s VAL 119 CO -0.13 0.30 0.94 -1.10 0.00 0.00 0.00 175.10 175.11 2kd3 s GLN 120 N -1.20 4.27 0.07 2.72 1.11 -1.26 -2.41 119.66 122.96 2kd3 s GLN 120 Ca 0.10 1.19 -0.31 0.00 0.01 0.00 0.00 55.36 56.35 2kd3 s GLN 120 Cb -0.09 -3.61 -0.08 0.00 -1.01 0.00 0.00 33.01 28.21 2kd3 s GLN 120 CO 0.02 -0.50 1.56 -0.51 0.01 0.00 0.00 175.29 175.87 2kd3 s LEU 121 N 2.73 4.36 0.11 2.90 1.43 0.71 -4.60 118.68 126.31 2kd3 s LEU 121 Ca 0.41 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.79 2kd3 s LEU 121 Cb -0.16 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 2kd3 s LEU 121 CO 0.09 -0.82 0.50 -0.76 0.23 0.00 0.00 176.35 175.59 2kd3 s LEU 122 N 2.21 4.37 -0.21 1.79 1.02 0.24 -2.25 118.68 125.85 2kd3 s LEU 122 Ca 0.70 1.01 -0.05 0.00 0.02 0.00 0.00 54.13 55.80 2kd3 s LEU 122 Cb -0.38 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 42.71 2kd3 s LEU 122 CO 0.31 0.16 0.01 0.00 0.02 0.00 0.00 176.35 176.85 2kd3 s PRO 124 N 1.17 2.76 -0.14 0.00 0.04 -1.26 -1.77 135.00 135.79 2kd3 s PRO 124 Ca 0.03 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2kd3 s PRO 124 Cb -0.14 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2kd3 s PRO 124 CO 0.02 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.91 2kd3 n GLY 125 N 5.67 0.31 3.52 0.56 0.00 -1.26 -5.03 105.19 108.95 2kd3 n GLY 125 Ca 0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 2kd3 n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kd3 s GLY 126 N -2.93 -0.58 -0.30 -0.02 0.00 -0.73 -5.04 107.32 97.72 2kd3 s GLY 126 Ca 0.00 2.09 -0.02 0.00 0.00 0.00 0.00 44.72 46.79 2kd3 s GLY 126 CO 0.00 2.57 2.33 0.00 0.00 0.00 0.00 173.10 178.01 2kd3 n ALA 127 N 4.98 5.46 -2.66 3.20 0.00 -1.26 -3.60 120.51 126.63 2kd3 n ALA 127 Ca -0.15 -1.89 -0.32 0.00 0.00 0.00 0.00 53.44 51.09 2kd3 n ALA 127 Cb 0.53 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 0.74 5.30 -1.70 0.00 0.00 -1.26 -5.06 120.51 118.53 2kd3 n ALA 128 Ca 0.33 -4.54 -0.35 0.00 0.00 0.00 0.00 53.44 48.88 2kd3 n ALA 128 Cb 0.59 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.76 3.09 0.03 0.00 0.04 -1.26 -4.78 135.00 128.36 2kd3 s PRO 129 Ca 0.47 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2kd3 s PRO 129 Cb 0.30 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2kd3 s PRO 129 CO -0.18 -1.07 -0.05 1.03 0.04 0.00 0.00 177.00 176.78 2kd3 s ARG 130 N -3.48 0.41 0.03 4.56 0.52 -0.95 -4.89 118.95 115.14 2kd3 s ARG 130 Ca 0.73 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 55.05 2kd3 s ARG 130 Cb -0.25 -0.01 -0.06 0.00 0.52 0.00 0.00 34.95 35.15 2kd3 s ARG 130 CO 0.32 -0.02 0.50 0.45 0.02 0.00 0.00 175.30 176.56 2kd3 s SER 131 N -1.65 6.93 -0.05 0.23 0.15 -1.26 0.25 113.70 118.30 2kd3 s SER 131 Ca -0.12 1.11 -0.08 0.00 0.70 0.00 0.00 55.95 57.55 2kd3 s SER 131 Cb -0.08 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2kd3 s SER 131 CO -0.01 0.27 0.21 -0.60 1.20 0.00 0.00 173.24 174.31 2kd3 s ARG 132 N -0.96 0.37 -0.06 5.44 3.52 -1.01 -4.92 118.95 121.33 2kd3 s ARG 132 Ca 0.27 0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 2kd3 s ARG 132 Cb -0.18 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2kd3 s ARG 132 CO 0.16 -0.07 0.06 -1.59 -0.81 0.00 0.00 175.30 173.05 2kd3 s LYS 133 N -0.45 3.11 -0.12 5.12 -2.85 -1.26 -2.46 119.74 120.84 2kd3 s LYS 133 Ca -0.05 -0.38 -0.06 0.00 -1.00 0.00 0.00 55.97 54.48 2kd3 s LYS 133 Cb -0.04 -2.91 0.05 0.00 -2.06 0.00 0.00 37.83 32.88 2kd3 s LYS 133 CO 0.01 0.70 0.28 0.14 0.10 0.00 0.00 175.35 176.58 2kd3 s VAL 134 N -1.04 -0.09 -0.43 1.79 -7.23 -0.07 -4.98 120.40 108.36 2kd3 s VAL 134 Ca 0.17 0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 60.28 2kd3 s VAL 134 Cb -0.12 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.41 2kd3 s VAL 134 CO 0.07 0.06 0.73 -0.13 -0.31 0.00 0.00 175.10 175.52 2kd3 s ARG 135 N 1.45 3.43 -0.18 4.82 0.52 -1.26 -2.07 118.95 125.66 2kd3 s ARG 135 Ca -0.08 -0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.95 2kd3 s ARG 135 Cb -0.10 -3.91 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 2kd3 s ARG 135 CO -0.09 -1.02 -0.00 -0.51 0.02 0.00 0.00 175.30 173.70 2kd3 s LEU 136 N 3.07 3.35 -0.86 2.53 2.01 -0.62 -4.81 118.68 123.35 2kd3 s LEU 136 Ca 0.27 -0.13 -0.26 0.00 0.01 0.00 0.00 54.13 54.03 2kd3 s LEU 136 Cb -0.13 -1.84 -0.12 0.00 0.01 0.00 0.00 46.19 44.11 2kd3 s LEU 136 CO 0.20 0.12 2.25 0.68 1.01 0.00 0.00 176.35 180.60 2kd3 s VAL 137 N 0.69 3.14 0.54 -1.59 -7.23 -1.26 0.23 120.40 114.93 2kd3 s VAL 137 Ca -0.00 -0.14 0.32 0.00 -1.81 0.00 0.00 61.98 60.35 2kd3 s VAL 137 Cb -0.14 -3.42 0.36 0.00 0.56 0.00 0.00 36.38 33.73 2kd3 s VAL 137 CO 0.02 -0.30 2.22 0.00 -0.31 0.00 0.00 175.10 176.74 2kd3 h ALA 138 N 12.11 1.33 -2.35 1.32 0.00 -1.80 -3.39 119.26 126.50 2kd3 h ALA 138 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kd3 h ALA 138 Cb 1.00 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.54 2kd3 h ALA 138 CO 1.07 0.04 -0.20 0.45 0.00 0.00 0.00 179.25 180.61 2kd3 s SER 139 N -5.94 -0.67 0.21 0.00 0.15 -1.24 -5.01 113.70 101.20 2kd3 s SER 139 Ca -0.04 1.19 0.04 0.00 0.70 0.00 0.00 55.95 57.83 2kd3 s SER 139 Cb 0.14 1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 65.69 2kd3 s SER 139 CO 0.53 -0.22 -0.03 0.00 1.20 0.00 0.00 173.24 174.72 2kd3 s LYS 141 N -3.83 0.79 -0.33 0.00 2.20 -1.22 -4.94 119.74 112.41 2kd3 s LYS 141 Ca 0.25 -1.25 -0.27 0.00 -0.36 0.00 0.00 55.97 54.34 2kd3 s LYS 141 Cb 0.05 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.56 2kd3 s LYS 141 CO 0.07 -0.20 2.28 0.00 -0.36 0.00 0.00 175.35 177.13 2kd3 s LYS 143 N 7.07 0.74 0.00 0.00 -0.14 0.77 -4.55 119.74 123.63 2kd3 s LYS 143 Ca 0.99 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 2kd3 s LYS 143 Cb -0.26 -0.71 0.00 0.00 -1.68 0.00 0.00 37.83 35.18 2kd3 s LYS 143 CO 0.31 0.19 0.00 2.89 -0.76 0.00 0.00 175.35 177.98