#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd2 s PRO 87 N 0.00 2.97 -0.10 1.61 0.04 -1.26 -5.06 135.00 133.20 2kd2 s PRO 87 Ca 0.00 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 2kd2 s PRO 87 Cb 0.00 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.62 2kd2 s PRO 87 CO 0.00 -1.13 0.20 -0.51 0.04 0.00 0.00 177.00 175.60 2kd2 s LEU 88 N -4.55 -0.12 -0.27 -3.56 1.02 -1.26 -4.99 118.68 104.96 2kd2 s LEU 88 Ca 0.69 0.42 -0.09 0.00 0.02 0.00 0.00 54.13 55.16 2kd2 s LEU 88 Cb -0.21 0.43 0.01 0.00 0.02 0.00 0.00 46.19 46.44 2kd2 s LEU 88 CO 0.37 -0.24 0.37 0.61 0.02 0.00 0.00 176.35 177.48 2kd2 n GLY 89 N 5.28 -1.07 3.63 -3.19 0.00 -1.26 -5.08 105.19 103.50 2kd2 n GLY 89 Ca -0.06 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.63 2kd2 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kd2 s SER 90 N -2.01 -0.98 0.12 1.61 0.15 -1.26 -5.17 113.70 106.17 2kd2 s SER 90 Ca 0.15 1.47 0.08 0.00 0.70 0.00 0.00 55.95 58.35 2kd2 s SER 90 Cb -0.04 1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 65.95 2kd2 s SER 90 CO 0.47 -0.22 -0.20 -1.61 1.20 0.00 0.00 173.24 172.88 2kd2 s GLU 91 N 2.10 1.18 0.00 5.44 8.01 -1.26 -4.90 118.70 129.26 2kd2 s GLU 91 Ca -0.08 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 53.65 2kd2 s GLU 91 Cb -0.07 -1.37 0.00 0.00 -4.31 0.00 0.00 34.13 28.38 2kd2 s GLU 91 CO -0.19 0.30 0.00 0.09 0.01 0.00 0.00 175.26 175.47 2kd2 n ASN 92 N 0.81 0.00 -3.14 -0.19 4.13 -1.26 -4.70 115.26 110.91 2kd2 n ASN 92 Ca -0.17 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.86 2kd2 n ASN 92 Cb 0.55 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.81 2kd2 n ASN 92 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kd2 n ARG 93 N 0.00 -4.52 -3.65 3.52 1.74 -1.26 -4.93 116.66 107.56 2kd2 n ARG 93 Ca 0.00 0.78 0.01 0.00 -0.77 0.00 0.00 57.85 57.86 2kd2 n ARG 93 Cb 0.00 -5.60 -0.06 0.00 -1.02 0.00 0.00 32.46 25.78 2kd2 n ARG 93 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kd2 s SER 94 N -2.72 -0.05 0.00 0.55 0.15 -1.26 -4.76 113.70 105.60 2kd2 s SER 94 Ca 0.34 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2kd2 s SER 94 Cb -0.16 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2kd2 s SER 94 CO 0.42 -0.01 0.47 0.29 1.20 0.00 0.00 173.24 175.60 2kd2 n LYS 95 N 2.58 0.00 -0.77 5.44 4.76 -1.26 -4.80 118.16 124.12 2kd2 n LYS 95 Ca -0.15 0.38 -0.01 0.00 -2.87 0.00 0.00 58.31 55.66 2kd2 n LYS 95 Cb 0.56 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.60 2kd2 n LYS 95 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2kd2 n THR 96 N -1.63 0.00 -3.64 -0.18 -1.04 -1.26 -5.09 114.28 101.43 2kd2 n THR 96 Ca 0.00 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.05 61.78 2kd2 n THR 96 Cb 0.00 0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 68.85 2kd2 n THR 96 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2kd2 s THR 97 N 0.00 -0.19 0.15 12.58 -4.23 -1.26 -2.75 115.64 119.95 2kd2 s THR 97 Ca 0.06 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 2kd2 s THR 97 Cb 0.06 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 2kd2 s THR 97 CO -0.03 0.00 0.12 -0.44 -0.54 0.00 0.00 174.62 173.73 2kd2 s SER 98 N 1.86 5.47 0.01 3.99 0.01 -0.77 -4.91 113.70 119.37 2kd2 s SER 98 Ca -0.09 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 2kd2 s SER 98 Cb -0.07 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 2kd2 s SER 98 CO -0.19 0.09 0.03 -0.89 0.41 0.00 0.00 173.24 172.68 2kd2 s THR 99 N -1.68 0.09 -0.10 1.44 2.01 -1.26 -0.13 115.64 115.99 2kd2 s THR 99 Ca 0.30 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 2kd2 s THR 99 Cb -0.10 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.17 2kd2 s THR 99 CO 0.23 -0.40 0.22 0.26 -0.69 0.00 0.00 174.62 174.24 2kd2 s TRP 100 N -1.23 -0.30 -0.33 4.92 0.51 0.10 -1.19 118.94 121.42 2kd2 s TRP 100 Ca -0.13 0.77 -0.11 0.00 -2.12 0.00 0.00 56.10 54.52 2kd2 s TRP 100 Cb -0.08 -0.10 -0.00 0.00 -0.81 0.00 0.00 33.47 32.48 2kd2 s TRP 100 CO -0.00 -0.29 0.18 0.08 -0.51 0.00 0.00 176.95 176.41 2kd2 s VAL 101 N 2.04 4.76 -0.00 4.03 1.01 -1.26 -0.14 120.40 130.83 2kd2 s VAL 101 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2kd2 s VAL 101 Cb -0.12 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2kd2 s VAL 101 CO -0.07 0.01 0.05 -1.48 0.00 0.00 0.00 175.10 173.60 2kd2 s LEU 102 N 1.63 1.88 -0.89 3.92 2.34 -0.63 -4.94 118.68 121.99 2kd2 s LEU 102 Ca 0.05 -0.20 -0.24 0.00 0.06 0.00 0.00 54.13 53.79 2kd2 s LEU 102 Cb -0.17 0.31 -0.00 0.00 -0.56 0.00 0.00 46.19 45.76 2kd2 s LEU 102 CO 0.07 -0.23 1.69 -0.13 -1.06 0.00 0.00 176.35 176.70 2kd2 s ARG 103 N -0.93 3.00 0.16 1.48 0.52 -1.26 0.18 118.95 122.10 2kd2 s ARG 103 Ca -0.10 -0.48 0.10 0.00 -0.52 0.00 0.00 55.73 54.73 2kd2 s ARG 103 Cb -0.06 -5.00 -0.04 0.00 0.52 0.00 0.00 34.95 30.37 2kd2 s ARG 103 CO 0.00 -2.76 -0.21 -1.17 0.02 0.00 0.00 175.30 171.18 2kd2 s LEU 104 N 7.71 2.41 -0.74 2.53 0.20 0.10 -4.66 118.68 126.23 2kd2 s LEU 104 Ca 0.58 -0.83 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2kd2 s LEU 104 Cb -0.05 -0.98 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 2kd2 s LEU 104 CO 0.00 0.05 0.00 -0.67 -0.29 0.00 0.00 176.35 175.44 2kd2 n ASP 105 N 0.44 -5.07 0.00 3.68 -0.08 -1.26 -1.30 116.55 112.96 2kd2 n ASP 105 Ca -0.14 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2kd2 n ASP 105 Cb 0.56 -3.18 0.00 0.00 2.34 0.00 0.00 41.12 40.83 2kd2 n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kd2 n GLY 106 N -0.49 0.76 3.23 0.27 0.00 -1.26 -5.03 105.19 102.68 2kd2 n GLY 106 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2kd2 n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kd2 s GLU 107 N -0.48 1.38 -0.95 1.61 2.02 -0.42 -5.07 118.70 116.80 2kd2 s GLU 107 Ca 0.00 -1.76 -0.24 0.00 0.02 0.00 0.00 54.97 52.99 2kd2 s GLU 107 Cb 0.00 0.27 -0.07 0.00 0.10 0.00 0.00 34.13 34.44 2kd2 s GLU 107 CO 0.00 -0.47 1.99 -0.51 0.02 0.00 0.00 175.26 176.29 2kd2 s ASP 108 N -3.23 4.98 -0.04 -0.19 1.11 -1.26 0.03 116.67 118.07 2kd2 s ASP 108 Ca 0.39 -0.79 -0.30 0.00 0.18 0.00 0.00 52.55 52.03 2kd2 s ASP 108 Cb 0.06 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 2kd2 s ASP 108 CO 0.17 -2.94 1.30 -0.22 1.18 0.00 0.00 175.17 174.66 2kd2 s LEU 109 N 10.78 4.29 -0.40 1.23 2.96 0.13 -4.88 118.68 132.80 2kd2 s LEU 109 Ca 0.72 1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 56.44 2kd2 s LEU 109 Cb -0.06 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.10 2kd2 s LEU 109 CO 0.03 -0.66 0.26 -0.60 -1.32 0.00 0.00 176.35 174.06 2kd2 s ARG 110 N 2.39 2.89 -0.07 1.98 3.52 -1.26 -1.60 118.95 126.80 2kd2 s ARG 110 Ca 0.59 -1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 54.99 2kd2 s ARG 110 Cb -0.28 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2kd2 s ARG 110 CO 0.24 -0.74 0.33 0.08 -0.81 0.00 0.00 175.30 174.39 2kd2 s VAL 111 N 1.62 5.21 -0.04 7.11 1.01 0.80 -3.56 120.40 132.55 2kd2 s VAL 111 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2kd2 s VAL 111 Cb -0.19 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kd2 s VAL 111 CO 0.08 0.52 -0.01 -0.69 0.00 0.00 0.00 175.10 175.00 2kd2 s VAL 112 N -0.54 0.30 -0.42 2.92 1.01 0.31 0.01 120.40 123.99 2kd2 s VAL 112 Ca 0.20 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 2kd2 s VAL 112 Cb -0.15 -0.39 0.10 0.00 0.00 0.00 0.00 36.38 35.94 2kd2 s VAL 112 CO 0.09 0.18 0.23 -0.22 0.00 0.00 0.00 175.10 175.38 2kd2 s LEU 113 N 1.10 5.20 0.16 3.92 2.96 0.81 0.20 118.68 133.03 2kd2 s LEU 113 Ca -0.09 -1.79 -0.30 0.00 -0.22 0.00 0.00 54.13 51.74 2kd2 s LEU 113 Cb -0.14 -1.90 -0.07 0.00 0.50 0.00 0.00 46.19 44.58 2kd2 s LEU 113 CO -0.01 -0.55 1.00 -1.61 -1.32 0.00 0.00 176.35 173.85 2kd2 s GLU 114 N 1.28 4.70 0.37 1.98 2.02 -0.93 -1.84 118.70 126.28 2kd2 s GLU 114 Ca 0.05 1.54 0.27 0.00 0.02 0.00 0.00 54.97 56.85 2kd2 s GLU 114 Cb -0.23 -3.33 0.96 0.00 0.10 0.00 0.00 34.13 31.63 2kd2 s GLU 114 CO -0.01 0.24 1.79 0.87 0.02 0.00 0.00 175.26 178.17 2kd2 h LYS 115 N 5.12 0.00 -0.20 1.61 1.79 -1.86 0.25 116.57 123.29 2kd2 h LYS 115 Ca -0.44 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.09 2kd2 h LYS 115 Cb 1.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2kd2 h LYS 115 CO 0.71 0.00 -0.27 0.22 -1.08 0.00 0.00 179.45 179.03 2kd2 h ASP 116 N 0.00 -0.86 0.00 0.86 1.82 -1.92 -3.31 116.42 113.02 2kd2 h ASP 116 Ca 0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2kd2 h ASP 116 Cb 0.59 0.39 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2kd2 h ASP 116 CO 0.00 -0.31 -0.26 0.35 -1.61 0.00 0.00 179.24 177.41 2kd2 n THR 117 N -5.39 0.42 -2.25 2.25 -2.24 -1.23 -4.99 114.28 100.85 2kd2 n THR 117 Ca -0.02 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2kd2 n THR 117 Cb 0.30 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2kd2 n THR 117 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kd2 n MET 118 N -0.30 -1.96 -2.51 -0.78 1.56 0.87 -4.94 117.12 109.06 2kd2 n MET 118 Ca 0.03 0.72 -0.29 0.00 -0.27 0.00 0.00 57.70 57.89 2kd2 n MET 118 Cb 0.61 -5.28 -0.01 0.00 2.15 0.00 0.00 33.22 30.70 2kd2 n MET 118 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kd2 s ASP 119 N -2.07 6.33 -0.11 6.12 -1.08 -1.18 -4.83 116.67 119.85 2kd2 s ASP 119 Ca 0.00 1.10 -0.04 0.00 -0.52 0.00 0.00 52.55 53.09 2kd2 s ASP 119 Cb 0.00 -2.32 -0.04 0.00 -1.46 0.00 0.00 42.92 39.10 2kd2 s ASP 119 CO 0.00 -0.60 0.04 -0.69 0.52 0.00 0.00 175.17 174.44 2kd2 s VAL 120 N -2.75 4.66 -0.15 1.11 1.01 -1.26 -2.18 120.40 120.84 2kd2 s VAL 120 Ca 0.50 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2kd2 s VAL 120 Cb -0.10 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2kd2 s VAL 120 CO 0.43 0.59 -0.16 0.86 0.00 0.00 0.00 175.10 176.82 2kd2 s TRP 121 N -0.72 2.31 -0.04 5.22 -0.00 0.13 -0.49 118.94 125.34 2kd2 s TRP 121 Ca 0.12 -1.28 0.02 0.00 -0.00 0.00 0.00 56.10 54.95 2kd2 s TRP 121 Cb -0.12 -1.66 0.01 0.00 -0.00 0.00 0.00 33.47 31.71 2kd2 s TRP 121 CO 0.02 -0.67 -0.08 0.00 -0.00 0.00 0.00 176.95 176.22 2kd2 n ASN 123 N 3.73 -0.55 -4.02 0.00 3.02 -1.23 -1.16 115.26 115.05 2kd2 n ASN 123 Ca -0.23 -0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 53.06 2kd2 n ASN 123 Cb 0.52 -3.24 -0.01 0.00 -0.61 0.00 0.00 39.78 36.44 2kd2 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd2 n GLY 124 N -1.91 -0.35 2.99 7.41 0.00 -1.26 -4.96 105.19 107.12 2kd2 n GLY 124 Ca -0.31 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2kd2 n GLY 124 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kd2 s GLN 125 N -6.65 0.21 -0.58 1.61 -0.44 -0.31 -5.09 119.66 108.40 2kd2 s GLN 125 Ca 0.36 0.67 -0.29 0.00 -2.50 0.00 0.00 55.36 53.60 2kd2 s GLN 125 Cb -0.19 -0.24 -0.12 0.00 -1.64 0.00 0.00 33.01 30.83 2kd2 s GLN 125 CO 0.89 -0.39 2.44 1.63 0.50 0.00 0.00 175.29 180.36 2kd2 n LYS 126 N 5.35 0.82 -0.84 1.67 5.02 -1.26 -2.53 118.16 126.40 2kd2 n LYS 126 Ca -0.06 0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2kd2 n LYS 126 Cb 0.50 -2.76 0.20 0.00 -0.02 0.00 0.00 35.03 32.94 2kd2 n LYS 126 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2kd2 s MET 127 N 8.01 0.18 -0.30 1.97 -1.94 0.35 -4.98 119.30 122.60 2kd2 s MET 127 Ca 1.10 0.92 0.03 0.00 -1.71 0.00 0.00 55.69 56.03 2kd2 s MET 127 Cb -0.59 -1.68 0.08 0.00 2.01 0.00 0.00 34.83 34.65 2kd2 s MET 127 CO 0.37 -3.00 -0.03 -1.21 -0.01 0.00 0.00 175.02 171.13 2kd2 s GLU 128 N -4.69 1.98 0.56 2.03 2.02 -1.26 -4.62 118.70 114.72 2kd2 s GLU 128 Ca 0.66 -1.55 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2kd2 s GLU 128 Cb -0.22 -3.06 0.07 0.00 0.10 0.00 0.00 34.13 31.02 2kd2 s GLU 128 CO 0.60 -0.73 0.77 0.95 0.02 0.00 0.00 175.26 176.88 2kd2 s THR 129 N 1.05 2.42 -0.50 3.63 -4.23 -1.26 -4.00 115.64 112.75 2kd2 s THR 129 Ca -0.01 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2kd2 s THR 129 Cb -0.20 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.24 2kd2 s THR 129 CO -0.06 0.00 0.25 0.00 -0.54 0.00 0.00 174.62 174.27 2kd2 s ALA 130 N -2.69 3.01 -0.25 3.99 0.00 0.89 -4.79 121.76 121.93 2kd2 s ALA 130 Ca 0.60 -3.09 -0.37 0.00 0.00 0.00 0.00 51.96 49.10 2kd2 s ALA 130 Cb -0.07 -2.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 2kd2 s ALA 130 CO 0.38 -2.03 1.91 0.41 0.00 0.00 0.00 175.76 176.44 2kd2 n GLY 131 N 3.23 0.93 2.73 0.00 0.00 -1.26 -3.54 105.19 107.29 2kd2 n GLY 131 Ca 0.06 0.91 -0.19 0.00 0.00 0.00 0.00 46.02 46.81 2kd2 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kd2 s GLU 132 N 4.48 0.28 0.55 1.61 2.12 -1.25 -5.00 118.70 121.50 2kd2 s GLU 132 Ca 1.00 -0.11 -0.19 0.00 0.36 0.00 0.00 54.97 56.03 2kd2 s GLU 132 Cb -0.90 -0.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.62 2kd2 s GLU 132 CO 0.57 -0.96 1.13 -0.59 -0.54 0.00 0.00 175.26 174.88 2kd2 s PHE 133 N 2.33 2.65 0.27 5.30 -0.12 -1.26 -0.62 117.98 126.52 2kd2 s PHE 133 Ca 0.09 1.54 0.06 0.00 -0.05 0.00 0.00 56.93 58.57 2kd2 s PHE 133 Cb -0.14 -3.29 -0.02 0.00 -0.63 0.00 0.00 43.02 38.93 2kd2 s PHE 133 CO -0.30 -1.61 0.23 1.33 -0.05 0.00 0.00 175.22 174.82 2kd2 n VAL 134 N -1.38 0.00 0.28 -2.49 0.24 0.92 -4.88 118.33 111.02 2kd2 n VAL 134 Ca 0.12 -1.93 0.18 0.00 -2.04 0.00 0.00 64.34 60.67 2kd2 n VAL 134 Cb 0.51 0.97 0.91 0.00 -1.47 0.00 0.00 33.84 34.76 2kd2 n VAL 134 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2kd2 h ASP 135 N 1.63 0.00 0.00 -1.34 3.32 -2.01 -3.33 116.42 114.69 2kd2 h ASP 135 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2kd2 h ASP 135 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2kd2 h ASP 135 CO 0.27 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.26 2kd2 n ASP 136 N -2.74 0.00 0.00 6.45 9.92 -1.26 -5.11 116.55 123.81 2kd2 n ASP 136 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2kd2 n ASP 136 Cb 0.09 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 2kd2 n ASP 136 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kd2 n GLY 137 N 2.57 4.11 2.91 0.44 0.00 -1.23 -3.99 105.19 110.00 2kd2 n GLY 137 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2kd2 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kd2 s THR 138 N 3.10 0.56 -0.67 2.61 2.01 -0.91 -0.06 115.64 122.28 2kd2 s THR 138 Ca 0.00 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 2kd2 s THR 138 Cb 0.00 -0.57 0.15 0.00 0.01 0.00 0.00 72.50 72.09 2kd2 s THR 138 CO 0.00 0.22 0.68 -1.61 -0.69 0.00 0.00 174.62 173.22 2kd2 s GLU 139 N 0.78 3.24 -0.48 4.92 2.02 0.21 -1.73 118.70 127.66 2kd2 s GLU 139 Ca -0.11 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 52.73 2kd2 s GLU 139 Cb -0.14 -4.38 0.03 0.00 0.10 0.00 0.00 34.13 29.74 2kd2 s GLU 139 CO 0.00 -1.40 1.20 0.95 0.02 0.00 0.00 175.26 176.03 2kd2 s THR 140 N 1.46 4.12 -0.37 3.63 -4.23 -0.94 -3.76 115.64 115.55 2kd2 s THR 140 Ca 0.12 1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.61 2kd2 s THR 140 Cb -0.21 -4.56 0.00 0.00 1.34 0.00 0.00 72.50 69.08 2kd2 s THR 140 CO -0.01 -1.02 0.26 -1.00 -0.54 0.00 0.00 174.62 172.30 2kd2 s HIS 141 N 4.72 3.23 -0.19 3.99 3.76 -1.23 -0.44 115.29 129.13 2kd2 s HIS 141 Ca 0.50 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2kd2 s HIS 141 Cb -0.08 -2.51 0.04 0.00 1.11 0.00 0.00 32.58 31.14 2kd2 s HIS 141 CO 0.31 -0.49 -0.08 -0.59 -0.85 0.00 0.00 174.74 173.04 2kd2 s PHE 142 N 1.68 2.20 0.48 1.40 -0.12 -0.91 -0.08 117.98 122.63 2kd2 s PHE 142 Ca 0.05 -1.45 -0.19 0.00 -0.05 0.00 0.00 56.93 55.29 2kd2 s PHE 142 Cb -0.18 -1.54 -0.09 0.00 -0.63 0.00 0.00 43.02 40.58 2kd2 s PHE 142 CO 0.10 -0.71 0.99 -1.54 -0.05 0.00 0.00 175.22 174.01 2kd2 s SER 143 N 1.47 6.61 -0.22 1.98 1.04 -1.26 -3.68 113.70 119.64 2kd2 s SER 143 Ca -0.01 1.73 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 2kd2 s SER 143 Cb -0.16 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.53 2kd2 s SER 143 CO -0.08 -0.59 0.27 -0.69 0.98 0.00 0.00 173.24 173.13 2kd2 s VAL 144 N -2.27 -0.40 0.00 5.02 1.01 -1.15 -4.83 120.40 117.78 2kd2 s VAL 144 Ca 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2kd2 s VAL 144 Cb -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2kd2 s VAL 144 CO 0.21 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2kd2 n GLY 145 N 5.33 1.50 0.70 4.51 0.00 -1.26 -0.22 105.19 115.75 2kd2 n GLY 145 Ca -0.05 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.49 2kd2 n GLY 145 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kd2 n ASN 146 N 9.16 2.37 -4.46 1.61 4.05 -1.26 -5.02 115.26 121.71 2kd2 n ASN 146 Ca 0.00 -3.57 -0.23 0.00 0.45 0.00 0.00 54.58 51.23 2kd2 n ASN 146 Cb 0.00 -0.54 -0.10 0.00 1.23 0.00 0.00 39.78 40.36 2kd2 n ASN 146 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2kd2 s HIS 147 N -3.11 2.11 -0.12 1.20 3.76 0.69 -5.14 115.29 114.68 2kd2 s HIS 147 Ca 0.39 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 2kd2 s HIS 147 Cb 0.36 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.90 2kd2 s HIS 147 CO -0.01 0.42 -0.13 0.34 -0.85 0.00 0.00 174.74 174.51 2kd2 s ASP 148 N -3.49 2.42 0.01 1.40 2.15 -1.26 -2.94 116.67 114.96 2kd2 s ASP 148 Ca 0.30 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 52.83 2kd2 s ASP 148 Cb 0.02 -1.05 -0.01 0.00 -0.30 0.00 0.00 42.92 41.58 2kd2 s ASP 148 CO 0.13 -0.03 0.06 0.00 -0.17 0.00 0.00 175.17 175.17 2kd2 s TYR 150 N -1.59 -0.25 -0.35 0.00 1.13 -0.50 -2.15 117.35 113.64 2kd2 s TYR 150 Ca -0.14 0.40 -0.14 0.00 -1.41 0.00 0.00 57.07 55.78 2kd2 s TYR 150 Cb -0.08 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.91 2kd2 s TYR 150 CO -0.00 -0.41 0.27 0.42 -2.51 0.00 0.00 175.55 173.32 2kd2 s ILE 151 N -1.25 5.27 -0.66 -3.49 1.01 0.41 -1.05 121.20 121.44 2kd2 s ILE 151 Ca -0.13 -0.27 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2kd2 s ILE 151 Cb -0.04 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.68 2kd2 s ILE 151 CO 0.05 -0.08 1.23 -0.75 0.00 0.00 0.00 174.94 175.38 2kd2 s LYS 152 N 1.75 3.35 0.00 2.79 2.20 0.93 -2.22 119.74 128.54 2kd2 s LYS 152 Ca 0.07 -0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 2kd2 s LYS 152 Cb -0.18 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 2kd2 s LYS 152 CO 0.11 -1.91 0.18 0.00 -0.36 0.00 0.00 175.35 173.37 2kd2 s ALA 153 N 5.30 3.96 -0.15 3.13 0.00 -0.70 -0.04 121.76 133.25 2kd2 s ALA 153 Ca 0.39 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 2kd2 s ALA 153 Cb -0.08 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.24 2kd2 s ALA 153 CO 0.20 0.76 0.33 0.08 0.00 0.00 0.00 175.76 177.13 2kd2 s VAL 154 N -1.35 -0.38 0.10 0.00 1.01 0.09 -2.15 120.40 117.73 2kd2 s VAL 154 Ca 0.28 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 2kd2 s VAL 154 Cb -0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2kd2 s VAL 154 CO 0.20 0.08 0.47 -0.94 0.00 0.00 0.00 175.10 174.91 2kd2 s SER 155 N 2.16 6.74 -0.05 3.32 1.04 -1.26 -1.37 113.70 124.30 2kd2 s SER 155 Ca -0.03 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.29 2kd2 s SER 155 Cb -0.11 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.78 2kd2 s SER 155 CO -0.11 0.15 0.15 -0.44 0.98 0.00 0.00 173.24 173.98 2kd2 s SER 156 N -1.68 -0.12 0.00 7.02 0.01 0.22 -4.90 113.70 114.25 2kd2 s SER 156 Ca 0.34 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2kd2 s SER 156 Cb -0.15 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2kd2 s SER 156 CO 0.18 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2kd2 n GLY 157 N 2.72 0.61 0.34 3.44 0.00 -1.26 -1.32 105.19 109.72 2kd2 n GLY 157 Ca -0.14 -2.11 0.17 0.00 0.00 0.00 0.00 46.02 43.94 2kd2 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kd2 h LYS 158 N 7.53 0.00 0.00 1.61 1.57 -1.98 -3.42 116.57 121.87 2kd2 h LYS 158 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kd2 h LYS 158 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kd2 h LYS 158 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 2kd2 n ARG 159 N -3.96 0.00 -1.39 3.15 1.74 -1.26 -4.98 116.66 109.96 2kd2 n ARG 159 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2kd2 n ARG 159 Cb 0.38 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 2kd2 n ARG 159 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kd2 n LYS 160 N -0.77 0.26 0.32 5.56 5.02 -1.26 -4.83 118.16 122.46 2kd2 n LYS 160 Ca 0.00 -1.29 -0.18 0.00 -2.02 0.00 0.00 58.31 54.82 2kd2 n LYS 160 Cb 0.00 0.33 -0.09 0.00 -0.02 0.00 0.00 35.03 35.24 2kd2 n LYS 160 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kd2 h GLU 161 N 0.41 -0.99 -3.46 1.97 4.22 -1.87 -3.45 114.58 111.41 2kd2 h GLU 161 Ca -0.48 0.07 -0.19 0.00 0.08 0.00 0.00 59.36 58.84 2kd2 h GLU 161 Cb 1.47 0.23 -0.25 0.00 0.50 0.00 0.00 28.75 30.69 2kd2 h GLU 161 CO -0.19 -0.66 -0.56 0.20 -2.18 0.00 0.00 179.01 175.62 2kd2 s GLY 162 N -2.03 -0.05 0.06 1.92 0.00 -0.43 -5.04 107.32 101.74 2kd2 s GLY 162 Ca -0.17 0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.84 2kd2 s GLY 162 CO 0.57 0.16 -0.19 -0.42 0.00 0.00 0.00 173.10 173.22 2kd2 s ILE 163 N -0.26 1.55 -0.03 0.90 1.01 -1.26 -0.61 121.20 122.49 2kd2 s ILE 163 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.37 2kd2 s ILE 163 Cb -0.03 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 2kd2 s ILE 163 CO 0.00 0.05 -0.15 -0.63 0.00 0.00 0.00 174.94 174.22 2kd2 s ILE 164 N -0.97 1.20 -0.06 2.92 1.01 -0.47 -4.98 121.20 119.85 2kd2 s ILE 164 Ca 0.05 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2kd2 s ILE 164 Cb -0.09 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2kd2 s ILE 164 CO 0.03 0.35 -0.24 -1.00 0.00 0.00 0.00 174.94 174.07 2kd2 s HIS 165 N -0.07 2.37 -0.17 3.97 3.76 -1.26 -0.74 115.29 123.16 2kd2 s HIS 165 Ca -0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 2kd2 s HIS 165 Cb -0.09 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.07 2kd2 s HIS 165 CO 0.01 -0.25 -0.11 0.95 -0.85 0.00 0.00 174.74 174.49 2kd2 s THR 166 N -0.05 1.49 0.15 1.30 -4.23 0.94 -4.94 115.64 110.29 2kd2 s THR 166 Ca -0.06 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 2kd2 s THR 166 Cb -0.14 -1.51 -0.08 0.00 1.34 0.00 0.00 72.50 72.11 2kd2 s THR 166 CO 0.04 0.29 1.27 -0.22 -0.54 0.00 0.00 174.62 175.47 2kd2 s LEU 167 N 1.49 4.40 -0.11 4.79 2.96 -1.26 -0.05 118.68 130.90 2kd2 s LEU 167 Ca 0.02 2.26 -0.02 0.00 -0.22 0.00 0.00 54.13 56.16 2kd2 s LEU 167 Cb -0.14 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2kd2 s LEU 167 CO -0.09 -0.50 0.02 -0.63 -1.32 0.00 0.00 176.35 173.83 2kd2 s ILE 168 N 0.51 0.35 -0.12 6.68 1.01 -0.21 -0.13 121.20 129.28 2kd2 s ILE 168 Ca 0.58 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.20 2kd2 s ILE 168 Cb -0.34 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2kd2 s ILE 168 CO 0.34 0.09 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 2kd2 s VAL 169 N 1.97 2.21 -1.25 2.92 1.01 -0.78 -1.41 120.40 125.07 2kd2 s VAL 169 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2kd2 s VAL 169 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2kd2 s VAL 169 CO -0.06 0.55 0.53 -0.67 0.00 0.00 0.00 175.10 175.45 2kd2 n ASP 170 N 3.74 -5.30 -3.07 3.32 -0.08 -0.98 -2.50 116.55 111.69 2kd2 n ASP 170 Ca -0.19 -0.25 -0.18 0.00 -1.51 0.00 0.00 54.79 52.66 2kd2 n ASP 170 Cb 0.52 -4.13 0.07 0.00 2.34 0.00 0.00 41.12 39.92 2kd2 n ASP 170 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kd2 n ASN 171 N -1.74 -4.55 -3.74 1.67 4.13 -1.26 -5.02 115.26 104.75 2kd2 n ASN 171 Ca -0.08 -0.47 -0.14 0.00 1.68 0.00 0.00 54.58 55.56 2kd2 n ASN 171 Cb 0.59 -4.31 -0.15 0.00 -1.54 0.00 0.00 39.78 34.38 2kd2 n ASN 171 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2kd2 s ARG 172 N -5.80 0.06 0.53 3.52 0.52 -1.04 -5.14 118.95 111.60 2kd2 s ARG 172 Ca 0.34 0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 55.70 2kd2 s ARG 172 Cb -0.15 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 2kd2 s ARG 172 CO 0.61 -0.19 1.32 -2.00 0.02 0.00 0.00 175.30 175.06 2kd2 s GLU 173 N 1.31 3.24 -0.09 3.54 2.12 -1.26 -1.87 118.70 125.69 2kd2 s GLU 173 Ca -0.08 2.14 0.04 0.00 0.36 0.00 0.00 54.97 57.43 2kd2 s GLU 173 Cb -0.12 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.00 2kd2 s GLU 173 CO -0.06 -1.08 -0.22 0.42 -0.54 0.00 0.00 175.26 173.78 2kd2 s ILE 174 N -1.36 1.92 0.40 -3.70 -1.09 0.81 -4.88 121.20 113.31 2kd2 s ILE 174 Ca 0.70 -0.95 -0.25 0.00 -2.23 0.00 0.00 60.65 57.92 2kd2 s ILE 174 Cb -0.38 -1.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.75 2kd2 s ILE 174 CO 0.45 0.53 1.19 -2.16 -1.23 0.00 0.00 174.94 173.72 2kd2 s PRO 175 N 0.33 4.03 0.15 2.79 0.04 -1.26 -4.36 135.00 136.71 2kd2 s PRO 175 Ca -0.17 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2kd2 s PRO 175 Cb -0.17 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 2kd2 s PRO 175 CO 0.08 -0.36 0.58 -2.00 0.04 0.00 0.00 177.00 175.34 2kd2 s GLU 176 N -2.30 4.05 0.32 4.56 2.12 -1.26 -4.31 118.70 121.88 2kd2 s GLU 176 Ca 0.57 0.58 0.07 0.00 0.36 0.00 0.00 54.97 56.55 2kd2 s GLU 176 Cb -0.32 -2.96 0.77 0.00 0.26 0.00 0.00 34.13 31.88 2kd2 s GLU 176 CO 0.40 0.49 1.81 1.25 -0.54 0.00 0.00 175.26 178.67 2kd2 h LEU 177 N 3.66 0.74 -9.58 2.70 7.12 -1.54 -3.42 115.31 114.99 2kd2 h LEU 177 Ca -0.49 0.07 -0.59 0.00 0.13 0.00 0.00 57.88 57.01 2kd2 h LEU 177 Cb 1.20 -0.07 0.12 0.00 -0.53 0.00 0.00 40.66 41.38 2kd2 h LEU 177 CO 0.65 0.31 0.21 0.35 -0.13 0.00 0.00 178.44 179.83 2kd2 n THR 178 N -4.67 2.12 -0.43 1.05 -2.24 -1.26 -5.09 114.28 103.75 2kd2 n THR 178 Ca 0.21 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2kd2 n THR 178 Cb 0.54 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2kd2 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50