#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct s ALA 44 N 0.00 1.53 -0.36 3.04 0.00 -1.26 -5.14 121.76 119.57 2kct s ALA 44 Ca 0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.78 2kct s ALA 44 Cb 0.00 1.43 0.02 0.00 0.00 0.00 0.00 23.12 24.57 2kct s ALA 44 CO 0.00 -0.64 1.07 0.99 0.00 0.00 0.00 175.76 177.17 2kct s THR 45 N -3.71 4.46 -0.28 0.00 2.01 -1.26 -5.03 115.64 111.83 2kct s THR 45 Ca 0.39 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.67 2kct s THR 45 Cb 0.04 -4.44 0.01 0.00 0.01 0.00 0.00 72.50 68.12 2kct s THR 45 CO 0.21 -0.59 1.10 -2.16 -0.69 0.00 0.00 174.62 172.50 2kct s PRO 46 N 3.79 4.11 0.03 4.92 0.04 -1.26 -4.66 135.00 141.97 2kct s PRO 46 Ca 0.45 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2kct s PRO 46 Cb -0.11 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2kct s PRO 46 CO 0.19 -0.84 0.00 0.94 0.04 0.00 0.00 177.00 177.32 2kct n GLN 47 N 6.77 -2.29 -3.63 4.56 0.00 -1.26 -5.09 117.38 116.43 2kct n GLN 47 Ca 0.12 1.94 -0.18 0.00 -0.00 0.00 0.00 57.00 58.88 2kct n GLN 47 Cb 0.47 -2.18 -0.15 0.00 0.00 0.00 0.00 30.24 28.37 2kct n GLN 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2kct s ASP 48 N -0.25 0.96 0.28 1.69 2.15 -1.26 -5.04 116.67 115.21 2kct s ASP 48 Ca 0.00 0.18 0.25 0.00 0.43 0.00 0.00 52.55 53.41 2kct s ASP 48 Cb 0.00 0.28 0.98 0.00 -0.30 0.00 0.00 42.92 43.88 2kct s ASP 48 CO 0.00 -0.27 1.75 0.07 -0.17 0.00 0.00 175.17 176.55 2kct h LYS 49 N 8.35 0.00 -0.39 4.34 2.10 -1.99 -2.84 116.57 126.14 2kct h LYS 49 Ca -0.14 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.29 2kct h LYS 49 Cb 1.13 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.32 2kct h LYS 49 CO 0.18 0.00 -0.11 1.28 -2.00 0.00 0.00 179.45 178.80 2kct n LEU 50 N -2.35 4.27 -4.09 7.07 4.77 -1.26 -4.86 117.00 120.55 2kct n LEU 50 Ca 0.03 -3.88 -0.32 0.00 -0.03 0.00 0.00 56.01 51.81 2kct n LEU 50 Cb 0.28 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.58 2kct n LEU 50 CO 0.23 1.34 -0.52 -2.28 -1.33 0.00 0.00 177.39 174.83 2kct s HIS 51 N -3.30 2.58 -0.20 -1.77 2.46 -1.07 -5.10 115.29 108.89 2kct s HIS 51 Ca 0.46 -1.49 -0.29 0.00 0.47 0.00 0.00 55.06 54.20 2kct s HIS 51 Cb 0.41 -1.81 -0.02 0.00 -0.13 0.00 0.00 32.58 31.03 2kct s HIS 51 CO -0.00 -0.75 1.43 0.99 -2.47 0.00 0.00 174.74 173.94 2kct s THR 52 N 1.30 3.97 -0.22 0.89 2.01 -1.26 -4.73 115.64 117.59 2kct s THR 52 Ca 0.04 1.13 -0.14 0.00 0.31 0.00 0.00 61.69 63.03 2kct s THR 52 Cb -0.13 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2kct s THR 52 CO -0.11 -0.26 0.32 -0.69 -0.69 0.00 0.00 174.62 173.18 2kct s VAL 53 N 4.31 5.25 -0.59 3.82 1.01 -0.06 -4.88 120.40 129.25 2kct s VAL 53 Ca 0.63 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.86 2kct s VAL 53 Cb -0.23 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kct s VAL 53 CO 0.23 0.27 1.10 -0.60 0.00 0.00 0.00 175.10 176.10 2kct s ARG 54 N 1.34 3.39 -0.13 2.72 3.52 -1.26 -2.75 118.95 125.78 2kct s ARG 54 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2kct s ARG 54 Cb -0.14 -4.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 2kct s ARG 54 CO 0.07 -1.67 -0.06 -1.17 -0.81 0.00 0.00 175.30 171.66 2kct s LEU 55 N 4.63 3.15 -0.16 -0.88 0.20 -0.12 -4.99 118.68 120.51 2kct s LEU 55 Ca 0.36 -0.14 -0.02 0.00 0.69 0.00 0.00 54.13 55.03 2kct s LEU 55 Cb -0.10 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 2kct s LEU 55 CO 0.21 0.21 -0.09 -0.36 -0.29 0.00 0.00 176.35 176.03 2kct s PHE 56 N 0.09 2.88 0.34 5.38 0.40 -1.26 -1.30 117.98 124.51 2kct s PHE 56 Ca -0.02 -0.73 -0.14 0.00 -0.60 0.00 0.00 56.93 55.45 2kct s PHE 56 Cb -0.14 -1.94 0.06 0.00 0.51 0.00 0.00 43.02 41.51 2kct s PHE 56 CO 0.03 -0.31 0.74 0.41 0.70 0.00 0.00 175.22 176.79 2kct n GLY 57 N 3.96 1.03 3.41 4.36 0.00 -0.82 -3.75 105.19 113.38 2kct n GLY 57 Ca -0.18 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 2kct n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kct s THR 58 N -2.18 2.59 -0.08 2.61 2.01 -0.93 -0.69 115.64 118.97 2kct s THR 58 Ca 0.15 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 2kct s THR 58 Cb -0.04 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2kct s THR 58 CO 0.10 0.44 1.12 -0.69 -0.69 0.00 0.00 174.62 174.90 2kct s VAL 59 N -0.80 4.49 0.17 3.82 1.01 -0.41 -0.27 120.40 128.41 2kct s VAL 59 Ca 0.13 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2kct s VAL 59 Cb -0.10 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 2kct s VAL 59 CO 0.02 -0.01 1.05 0.00 0.00 0.00 0.00 175.10 176.16 2kct s ALA 60 N 2.19 3.34 0.24 5.51 0.00 -0.37 -2.36 121.76 130.31 2kct s ALA 60 Ca 0.52 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.28 2kct s ALA 60 Cb -0.22 -3.31 0.27 0.00 0.00 0.00 0.00 23.12 19.86 2kct s ALA 60 CO 0.20 -0.11 1.57 0.00 0.00 0.00 0.00 175.76 177.42 2kct h ALA 61 N 5.03 0.87 -2.62 0.00 0.00 -1.87 -3.39 119.26 117.27 2kct h ALA 61 Ca -0.44 -0.55 -0.54 0.00 0.00 0.00 0.00 54.91 53.37 2kct h ALA 61 Cb 1.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kct h ALA 61 CO 0.71 0.74 0.20 -0.51 0.00 0.00 0.00 179.25 180.40 2kct s ASP 62 N -6.89 7.23 0.00 0.00 1.11 -1.26 -3.74 116.67 113.12 2kct s ASP 62 Ca -0.03 1.48 0.00 0.00 0.18 0.00 0.00 52.55 54.17 2kct s ASP 62 Cb 0.12 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.62 2kct s ASP 62 CO 0.79 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.69 2kct n GLY 63 N 2.58 0.76 3.57 0.21 0.00 -1.26 -4.39 105.19 106.66 2kct n GLY 63 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kct n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 64 N 0.00 3.35 -0.12 0.99 0.20 -1.25 -3.92 118.68 117.94 2kct s LEU 64 Ca 0.00 0.14 0.03 0.00 0.69 0.00 0.00 54.13 54.99 2kct s LEU 64 Cb 0.00 -2.93 0.01 0.00 -0.43 0.00 0.00 46.19 42.84 2kct s LEU 64 CO 0.00 -1.78 -0.22 -0.89 -0.29 0.00 0.00 176.35 173.18 2kct s THR 65 N 6.18 1.95 0.26 3.68 2.01 0.02 -5.01 115.64 124.74 2kct s THR 65 Ca 0.50 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 2kct s THR 65 Cb -0.10 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.61 2kct s THR 65 CO 0.23 0.53 0.80 -0.04 -0.69 0.00 0.00 174.62 175.45 2kct s MET 66 N 0.63 4.33 0.02 4.92 -1.94 -1.26 -0.83 119.30 125.17 2kct s MET 66 Ca -0.12 1.00 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 2kct s MET 66 Cb -0.16 -2.80 -0.06 0.00 2.01 0.00 0.00 34.83 33.81 2kct s MET 66 CO 0.03 0.33 1.45 -0.51 -0.01 0.00 0.00 175.02 176.31 2kct s LEU 67 N -2.10 4.33 -0.51 -0.03 1.43 -1.05 -4.86 118.68 115.88 2kct s LEU 67 Ca 0.46 2.19 -0.27 0.00 -1.03 0.00 0.00 54.13 55.48 2kct s LEU 67 Cb -0.17 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2kct s LEU 67 CO 0.21 -0.75 1.76 -1.81 0.23 0.00 0.00 176.35 176.00 2kct s ASP 68 N 1.96 5.62 -1.14 2.29 1.11 -1.26 -2.54 116.67 122.70 2kct s ASP 68 Ca 0.66 0.64 0.00 0.00 0.18 0.00 0.00 52.55 54.03 2kct s ASP 68 Cb -0.33 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.13 2kct s ASP 68 CO 0.28 -2.05 0.00 0.61 1.18 0.00 0.00 175.17 175.19 2kct n GLY 69 N 5.53 0.07 2.87 0.21 0.00 -1.26 -5.02 105.19 107.58 2kct n GLY 69 Ca 0.20 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2kct n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 70 N -2.62 -0.10 -0.20 4.61 0.00 -1.05 -5.12 121.76 117.27 2kct s ALA 70 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 2kct s ALA 70 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2kct s ALA 70 CO 0.00 -0.11 2.21 -0.35 0.00 0.00 0.00 175.76 177.51 2kct n PRO 71 N 3.93 2.02 -2.40 0.00 -0.04 -1.26 -4.30 135.00 132.95 2kct n PRO 71 Ca -0.24 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2kct n PRO 71 Cb 0.53 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 2kct n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kct n GLY 72 N 5.70 -1.06 3.34 0.55 0.00 -0.87 -1.06 105.19 111.78 2kct n GLY 72 Ca 0.29 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2kct n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 73 N -1.92 -0.01 -0.15 1.61 0.11 -0.15 -2.54 120.40 117.35 2kct s VAL 73 Ca 0.00 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2kct s VAL 73 Cb 0.00 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2kct s VAL 73 CO 0.00 0.01 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.09 2kct s ARG 74 N 0.74 3.45 0.25 1.54 3.52 -0.01 -1.53 118.95 126.91 2kct s ARG 74 Ca -0.04 -0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2kct s ARG 74 Cb -0.05 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 2kct s ARG 74 CO -0.05 0.15 0.36 -0.59 -0.81 0.00 0.00 175.30 174.35 2kct s PHE 75 N 0.56 0.79 -0.16 5.12 -0.71 -1.06 -0.80 117.98 121.71 2kct s PHE 75 Ca -0.06 -1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 54.63 2kct s PHE 75 Cb -0.15 -0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 2kct s PHE 75 CO 0.03 -0.90 0.28 1.03 -1.34 0.00 0.00 175.22 174.32 2kct s ARG 76 N -3.86 4.25 -0.30 1.99 0.52 -1.25 -0.94 118.95 119.35 2kct s ARG 76 Ca 0.30 0.08 -0.10 0.00 -0.52 0.00 0.00 55.73 55.48 2kct s ARG 76 Cb 0.02 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 2kct s ARG 76 CO 0.13 0.24 0.16 -1.17 0.02 0.00 0.00 175.30 174.68 2kct s LEU 77 N 0.45 4.06 -0.87 2.53 2.96 -0.10 -1.24 118.68 126.46 2kct s LEU 77 Ca 0.16 -0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 2kct s LEU 77 Cb -0.13 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2kct s LEU 77 CO 0.04 -0.15 1.89 -1.61 -1.32 0.00 0.00 176.35 175.20 2kct s GLU 78 N 1.66 2.65 -0.92 1.98 2.02 0.63 -2.04 118.70 124.68 2kct s GLU 78 Ca 0.06 -0.24 -0.24 0.00 0.02 0.00 0.00 54.97 54.57 2kct s GLU 78 Cb -0.17 -4.99 0.00 0.00 0.10 0.00 0.00 34.13 29.07 2kct s GLU 78 CO 0.07 -3.20 1.69 0.34 0.02 0.00 0.00 175.26 174.18 2kct s ASP 79 N 7.77 5.79 -0.39 -0.19 -1.08 -1.05 -2.19 116.67 125.32 2kct s ASP 79 Ca 0.68 -0.92 -0.21 0.00 -0.52 0.00 0.00 52.55 51.57 2kct s ASP 79 Cb -0.07 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2kct s ASP 79 CO 0.01 -2.14 0.52 1.17 0.52 0.00 0.00 175.17 175.25 2kct n LYS 80 N 8.93 -2.20 -1.12 4.34 0.00 -1.25 -3.86 118.16 123.00 2kct n LYS 80 Ca 0.33 1.86 -0.04 0.00 0.00 0.00 0.00 58.31 60.46 2kct n LYS 80 Cb 0.49 -4.07 -0.02 0.00 0.00 0.00 0.00 35.03 31.44 2kct n LYS 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kct n ASP 81 N -0.05 -3.73 -3.73 3.14 8.00 -1.26 -5.02 116.55 113.90 2kct n ASP 81 Ca 0.03 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 2kct n ASP 81 Cb 0.50 -1.60 -0.17 0.00 -0.02 0.00 0.00 41.12 39.83 2kct n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kct s ASN 82 N -2.68 0.82 -0.13 -2.24 4.22 -1.25 -5.04 114.94 108.64 2kct s ASN 82 Ca 0.00 0.03 0.18 0.00 -2.14 0.00 0.00 52.86 50.93 2kct s ASN 82 Cb 0.00 -0.17 -0.25 0.00 1.28 0.00 0.00 41.25 42.11 2kct s ASN 82 CO 0.00 -0.19 0.28 1.07 -2.04 0.00 0.00 177.10 176.22 2kct n THR 83 N 4.83 1.19 -0.05 0.54 5.66 -1.26 -2.54 114.28 122.65 2kct n THR 83 Ca -0.13 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 59.95 2kct n THR 83 Cb 0.50 -0.49 -0.02 0.00 -1.55 0.00 0.00 70.33 68.77 2kct n THR 83 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kct h SER 84 N 0.00 0.87 -2.85 1.09 0.87 -1.98 -3.36 113.55 108.19 2kct h SER 84 Ca -0.40 -0.49 -0.70 0.00 -1.23 0.00 0.00 61.79 58.97 2kct h SER 84 Cb 1.97 -0.25 -0.19 0.00 -0.44 0.00 0.00 62.40 63.49 2kct h SER 84 CO 0.03 1.26 0.43 -0.54 -0.53 0.00 0.00 176.83 177.48 2kct s LYS 85 N -4.02 3.34 -0.08 2.24 1.02 -1.26 -5.03 119.74 115.95 2kct s LYS 85 Ca -0.10 -1.61 0.01 0.00 0.02 0.00 0.00 55.97 54.30 2kct s LYS 85 Cb 0.10 -4.52 -0.03 0.00 -0.52 0.00 0.00 37.83 32.86 2kct s LYS 85 CO 0.88 -1.62 -0.09 0.95 -0.92 0.00 0.00 175.35 174.55 2kct s THR 86 N 2.45 3.54 -0.14 2.17 -4.23 -1.26 -3.67 115.64 114.50 2kct s THR 86 Ca 0.21 -0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 2kct s THR 86 Cb -0.14 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2kct s THR 86 CO -0.01 0.58 0.09 -0.69 -0.54 0.00 0.00 174.62 174.05 2kct s VAL 87 N -0.57 5.11 -0.06 2.29 1.01 -0.86 -4.84 120.40 122.48 2kct s VAL 87 Ca 0.08 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2kct s VAL 87 Cb -0.12 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2kct s VAL 87 CO 0.02 0.56 1.03 0.26 0.00 0.00 0.00 175.10 176.96 2kct s TRP 88 N -0.50 3.52 -0.25 5.22 0.52 -1.26 -0.93 118.94 125.27 2kct s TRP 88 Ca 0.11 1.57 -0.04 0.00 0.02 0.00 0.00 56.10 57.76 2kct s TRP 88 Cb -0.12 -3.20 0.01 0.00 -1.15 0.00 0.00 33.47 29.00 2kct s TRP 88 CO 0.02 -0.33 -0.02 0.08 0.02 0.00 0.00 176.95 176.72 2kct s VAL 89 N 1.64 3.38 -0.71 4.03 1.01 -0.12 -0.29 120.40 129.35 2kct s VAL 89 Ca 0.51 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2kct s VAL 89 Cb -0.21 -2.64 0.13 0.00 0.00 0.00 0.00 36.38 33.66 2kct s VAL 89 CO 0.22 0.27 0.81 -0.22 0.00 0.00 0.00 175.10 176.18 2kct s LEU 90 N 1.44 5.53 -0.23 3.92 2.96 -0.54 -2.58 118.68 129.19 2kct s LEU 90 Ca 0.03 -1.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.02 2kct s LEU 90 Cb -0.16 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2kct s LEU 90 CO -0.02 -1.02 0.36 -0.47 -1.32 0.00 0.00 176.35 173.88 2kct s TYR 91 N 2.28 3.31 -0.27 5.38 5.04 -0.58 -0.99 117.35 131.52 2kct s TYR 91 Ca 0.17 0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2kct s TYR 91 Cb -0.17 -2.51 0.04 0.00 0.35 0.00 0.00 41.96 39.66 2kct s TYR 91 CO 0.00 -0.09 -0.05 0.15 -1.34 0.00 0.00 175.55 174.23 2kct s LYS 92 N 1.59 2.60 0.00 4.97 1.02 -1.25 -0.98 119.74 127.70 2kct s LYS 92 Ca 0.16 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.02 2kct s LYS 92 Cb -0.15 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2kct s LYS 92 CO 0.08 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 2kct n GLY 93 N 4.62 -1.56 3.61 -3.33 0.00 -0.22 -4.92 105.19 103.38 2kct n GLY 93 Ca -0.15 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 94 N -1.30 3.04 -0.47 4.61 0.00 -1.26 -2.05 121.76 124.33 2kct s ALA 94 Ca 0.00 0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 2kct s ALA 94 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 19.20 2kct s ALA 94 CO 0.00 -2.36 1.04 0.08 0.00 0.00 0.00 175.76 174.53 2kct s VAL 95 N 6.15 4.33 0.70 0.00 1.01 -1.26 -4.99 120.40 126.33 2kct s VAL 95 Ca 0.76 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 2kct s VAL 95 Cb -0.23 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.64 2kct s VAL 95 CO 0.32 -0.93 1.09 -2.16 0.00 0.00 0.00 175.10 173.42 2kct s PRO 96 N 4.14 2.71 0.13 2.72 0.04 -1.26 -4.94 135.00 138.53 2kct s PRO 96 Ca 0.43 1.20 0.19 0.00 0.04 0.00 0.00 61.00 62.85 2kct s PRO 96 Cb -0.08 -1.95 0.79 0.00 0.04 0.00 0.00 34.50 33.29 2kct s PRO 96 CO 0.29 -1.29 1.57 -0.25 0.04 0.00 0.00 177.00 177.36 2kct n ASP 97 N -2.89 0.32 0.25 6.66 8.00 -1.26 -1.77 116.55 125.86 2kct n ASP 97 Ca 0.09 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.30 2kct n ASP 97 Cb 0.53 -0.65 0.57 0.00 -0.02 0.00 0.00 41.12 41.55 2kct n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kct h THR 98 N 0.00 0.37 -1.45 -3.53 1.03 -1.95 -3.40 112.91 103.98 2kct h THR 98 Ca 0.00 -0.84 -0.43 0.00 -0.01 0.00 0.00 66.41 65.13 2kct h THR 98 Cb 0.29 1.62 -0.05 0.00 -1.07 0.00 0.00 68.15 68.95 2kct h THR 98 CO 0.00 0.13 1.10 0.12 -0.01 0.00 0.00 175.52 176.86 2kct s PHE 99 N -3.73 1.85 0.06 0.00 5.36 -0.73 -4.82 117.98 115.97 2kct s PHE 99 Ca 0.00 0.51 0.09 0.00 -0.96 0.00 0.00 56.93 56.57 2kct s PHE 99 Cb 0.10 -4.17 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 2kct s PHE 99 CO 0.60 -2.04 -0.23 -1.59 -1.46 0.00 0.00 175.22 170.50 2kct s LYS 100 N 6.74 1.83 -0.48 10.12 -2.85 -1.26 -5.00 119.74 128.84 2kct s LYS 100 Ca 0.64 -1.11 -0.26 0.00 -1.00 0.00 0.00 55.97 54.24 2kct s LYS 100 Cb -0.09 -2.04 -0.07 0.00 -2.06 0.00 0.00 37.83 33.57 2kct s LYS 100 CO 0.09 0.51 2.37 -2.14 0.10 0.00 0.00 175.35 176.28 2kct s PRO 101 N -1.48 2.18 0.00 1.78 0.02 -1.26 -1.91 135.00 134.32 2kct s PRO 101 Ca 0.13 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.55 2kct s PRO 101 Cb -0.10 -4.56 0.00 0.00 0.02 0.00 0.00 34.50 29.85 2kct s PRO 101 CO 0.04 -3.20 0.00 0.41 -0.33 0.00 0.00 177.00 173.93 2kct n GLY 102 N 5.97 1.10 3.80 0.52 0.00 -0.99 -4.82 105.19 110.77 2kct n GLY 102 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2kct n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 103 N -1.42 4.09 -0.33 1.61 0.11 -0.80 -4.58 120.40 119.07 2kct s VAL 103 Ca 0.00 1.43 -0.29 0.00 -2.93 0.00 0.00 61.98 60.19 2kct s VAL 103 Cb 0.00 -3.65 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 2kct s VAL 103 CO 0.00 -0.16 1.09 -1.61 -3.33 0.00 0.00 175.10 171.09 2kct s GLU 104 N -2.87 4.04 0.18 1.54 2.02 -1.26 -1.29 118.70 121.06 2kct s GLU 104 Ca 0.60 1.05 0.05 0.00 0.02 0.00 0.00 54.97 56.69 2kct s GLU 104 Cb -0.15 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 2kct s GLU 104 CO 0.19 -0.94 0.17 0.14 0.02 0.00 0.00 175.26 174.85 2kct s VAL 105 N 3.72 4.63 -0.30 2.63 -7.23 0.14 -1.35 120.40 122.63 2kct s VAL 105 Ca 0.46 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2kct s VAL 105 Cb -0.12 -3.39 0.07 0.00 0.56 0.00 0.00 36.38 33.50 2kct s VAL 105 CO 0.17 -0.14 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.17 2kct s ILE 106 N -1.80 2.64 -0.06 -0.62 1.01 -0.36 -1.95 121.20 120.05 2kct s ILE 106 Ca 0.32 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 2kct s ILE 106 Cb -0.10 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2kct s ILE 106 CO 0.24 -0.21 -0.00 0.27 0.00 0.00 0.00 174.94 175.25 2kct s ILE 107 N 1.14 4.22 -0.21 2.92 -4.36 -0.42 -1.29 121.20 123.21 2kct s ILE 107 Ca -0.03 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 2kct s ILE 107 Cb -0.20 -2.80 0.02 0.00 1.25 0.00 0.00 42.46 40.73 2kct s ILE 107 CO -0.04 0.54 -0.15 -1.61 0.24 0.00 0.00 174.94 173.93 2kct s GLU 108 N -1.07 2.90 0.00 0.37 2.02 -0.82 -0.94 118.70 121.16 2kct s GLU 108 Ca 0.15 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2kct s GLU 108 Cb -0.11 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2kct s GLU 108 CO 0.04 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2kct n GLY 109 N 4.62 1.92 3.58 -1.39 0.00 -1.11 -0.08 105.19 112.73 2kct n GLY 109 Ca -0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 2kct n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kct s GLY 110 N 0.00 -0.47 -0.54 -0.02 0.00 -0.82 -0.89 107.32 104.58 2kct s GLY 110 Ca 0.00 1.82 -0.22 0.00 0.00 0.00 0.00 44.72 46.31 2kct s GLY 110 CO 0.00 1.34 0.84 -2.27 0.00 0.00 0.00 173.10 173.01 2kct s LEU 111 N -0.49 4.39 0.16 0.66 2.96 -1.26 -1.25 118.68 123.86 2kct s LEU 111 Ca -0.04 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.04 2kct s LEU 111 Cb -0.02 -2.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 2kct s LEU 111 CO 0.04 -1.13 0.80 0.00 -1.32 0.00 0.00 176.35 174.74 2kct s ALA 112 N 3.54 3.42 -0.76 5.97 0.00 -1.26 -4.85 121.76 127.81 2kct s ALA 112 Ca 0.25 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.35 2kct s ALA 112 Cb -0.15 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 2kct s ALA 112 CO 0.16 0.25 2.42 -2.30 0.00 0.00 0.00 175.76 176.29 2kct n PRO 113 N 1.73 0.60 0.00 0.00 -0.02 -1.26 -1.52 135.00 134.53 2kct n PRO 113 Ca -0.05 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 2kct n PRO 113 Cb 0.49 -3.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.29 2kct n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kct n GLY 114 N 6.74 3.35 3.73 -1.23 0.00 -1.26 -5.12 105.19 111.40 2kct n GLY 114 Ca 0.46 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2kct n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kct s GLU 115 N 0.00 4.25 0.34 1.61 8.01 -0.58 -4.96 118.70 127.37 2kct s GLU 115 Ca 0.00 0.16 0.26 0.00 0.01 0.00 0.00 54.97 55.41 2kct s GLU 115 Cb 0.00 -3.42 0.84 0.00 -4.31 0.00 0.00 34.13 27.24 2kct s GLU 115 CO 0.00 0.24 1.76 0.22 0.01 0.00 0.00 175.26 177.49 2kct h ASP 116 N 6.61 0.00 -3.37 -0.19 3.58 -1.97 -3.38 116.42 117.70 2kct h ASP 116 Ca -0.42 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.48 2kct h ASP 116 Cb 1.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.17 2kct h ASP 116 CO 0.75 0.00 0.08 0.28 -2.88 0.00 0.00 179.24 177.47 2kct s THR 117 N -3.29 4.89 -0.45 2.25 -1.32 -1.26 -4.50 115.64 111.97 2kct s THR 117 Ca 0.06 1.45 -0.29 0.00 -1.21 0.00 0.00 61.69 61.70 2kct s THR 117 Cb 0.09 -4.03 0.02 0.00 -1.51 0.00 0.00 72.50 67.07 2kct s THR 117 CO 0.56 0.34 1.30 0.12 -2.21 0.00 0.00 174.62 174.73 2kct s PHE 118 N 0.18 2.56 -0.84 9.09 5.36 0.60 -4.42 117.98 130.51 2kct s PHE 118 Ca 0.36 0.68 -0.22 0.00 -0.96 0.00 0.00 56.93 56.79 2kct s PHE 118 Cb -0.19 -4.37 0.08 0.00 -0.34 0.00 0.00 43.02 38.20 2kct s PHE 118 CO 0.20 -1.70 1.16 0.15 -1.46 0.00 0.00 175.22 173.56 2kct s LYS 119 N 4.77 3.40 -0.30 10.12 1.02 -0.38 -1.47 119.74 136.91 2kct s LYS 119 Ca 0.56 -1.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 2kct s LYS 119 Cb -0.11 -4.72 0.01 0.00 -0.52 0.00 0.00 37.83 32.49 2kct s LYS 119 CO 0.32 -1.92 0.89 0.00 -0.92 0.00 0.00 175.35 173.73 2kct s ALA 120 N 3.91 3.54 0.14 5.17 0.00 -0.17 -1.95 121.76 132.41 2kct s ALA 120 Ca 0.32 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2kct s ALA 120 Cb -0.08 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.62 2kct s ALA 120 CO -0.01 -1.25 1.74 -0.09 0.00 0.00 0.00 175.76 176.14 2kct h ARG 121 N 8.03 0.58 -5.14 0.00 2.43 -0.77 -3.34 114.38 116.16 2kct h ARG 121 Ca -0.23 -0.07 -0.52 0.00 -0.81 0.00 0.00 59.98 58.35 2kct h ARG 121 Cb 1.08 -0.11 -0.31 0.00 -0.42 0.00 0.00 29.97 30.22 2kct h ARG 121 CO 0.93 0.48 -0.82 0.99 -1.51 0.00 0.00 179.97 180.04 2kct s THR 122 N -5.80 1.23 -0.19 0.20 2.01 -0.88 -4.79 115.64 107.42 2kct s THR 122 Ca -0.13 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2kct s THR 122 Cb 0.10 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2kct s THR 122 CO 0.74 0.36 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.73 2kct s LEU 123 N 0.01 2.81 0.29 4.42 2.96 -1.26 -1.95 118.68 125.96 2kct s LEU 123 Ca -0.02 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2kct s LEU 123 Cb -0.10 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2kct s LEU 123 CO 0.01 0.05 0.10 -0.04 -1.32 0.00 0.00 176.35 175.15 2kct s MET 124 N 1.04 1.52 0.06 1.98 -1.94 -0.41 -4.97 119.30 116.59 2kct s MET 124 Ca 0.00 -1.84 0.05 0.00 -1.71 0.00 0.00 55.69 52.19 2kct s MET 124 Cb -0.15 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.25 2kct s MET 124 CO -0.01 -0.30 -0.14 0.95 -0.01 0.00 0.00 175.02 175.51 2kct s THR 125 N -3.59 1.12 0.30 2.05 -4.23 -1.26 -1.22 115.64 108.81 2kct s THR 125 Ca 0.36 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.70 2kct s THR 125 Cb 0.07 -1.06 0.06 0.00 1.34 0.00 0.00 72.50 72.91 2kct s THR 125 CO 0.15 -0.16 1.74 0.11 -0.54 0.00 0.00 174.62 175.91 2kct h LYS 126 N 4.45 0.32 -4.64 3.99 1.57 -1.53 -3.38 116.57 117.36 2kct h LYS 126 Ca -0.40 -0.13 -0.67 0.00 -1.87 0.00 0.00 60.65 57.57 2kct h LYS 126 Cb 1.19 -0.01 -0.38 0.00 0.08 0.00 0.00 32.23 33.11 2kct h LYS 126 CO 0.41 0.61 -0.67 0.00 -0.57 0.00 0.00 179.45 179.23 2kct s PRO 128 N 1.01 -0.54 -0.52 0.00 0.02 -1.26 -4.85 135.00 128.85 2kct s PRO 128 Ca 0.08 0.96 -0.27 0.00 0.02 0.00 0.00 61.00 61.79 2kct s PRO 128 Cb -0.20 -1.59 -0.09 0.00 0.02 0.00 0.00 34.50 32.64 2kct s PRO 128 CO -0.06 -3.51 2.43 -0.11 -0.33 0.00 0.00 177.00 175.42 2kct n LEU 129 N -4.78 2.15 -0.10 -5.54 7.94 -1.26 -5.02 117.00 110.39 2kct n LEU 129 Ca 0.05 -0.34 0.01 0.00 -1.11 0.00 0.00 56.01 54.62 2kct n LEU 129 Cb 0.54 -1.50 0.01 0.00 0.53 0.00 0.00 43.42 43.00 2kct n LEU 129 CO 0.56 -1.38 0.29 1.21 -1.11 0.00 0.00 177.39 176.96