#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 3.18 -0.48 3.04 0.00 -1.26 -5.02 121.76 121.21 2kct s ALA 44 Ca 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 2kct s ALA 44 Cb 0.00 -3.74 0.13 0.00 0.00 0.00 0.00 23.12 19.50 2kct s ALA 44 CO 0.00 -2.55 0.31 0.95 0.00 0.00 0.00 175.76 174.48 2kct s THR 45 N 3.79 3.73 -0.74 0.00 -4.23 -1.26 -4.98 115.64 111.95 2kct s THR 45 Ca 0.23 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 2kct s THR 45 Cb -0.16 -3.49 -0.16 0.00 1.34 0.00 0.00 72.50 70.03 2kct s THR 45 CO 0.13 -0.77 3.26 -2.65 -0.54 0.00 0.00 174.62 174.05 2kct n PRO 46 N 4.45 2.82 -2.83 3.99 -0.02 -1.26 -4.93 135.00 137.22 2kct n PRO 46 Ca -0.01 -1.67 -0.43 0.00 -2.02 0.00 0.00 63.50 59.37 2kct n PRO 46 Cb 0.41 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2kct n PRO 46 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2kct s GLN 47 N 1.21 3.14 0.18 -0.52 0.74 -1.26 -4.94 119.66 118.21 2kct s GLN 47 Ca 0.67 -0.84 -0.24 0.00 0.05 0.00 0.00 55.36 55.01 2kct s GLN 47 Cb 0.26 -4.27 0.06 0.00 1.10 0.00 0.00 33.01 30.16 2kct s GLN 47 CO -0.04 -1.85 0.92 0.16 -0.55 0.00 0.00 175.29 173.93 2kct s ASP 48 N 3.70 -0.18 -0.07 6.67 -4.77 -1.26 -5.04 116.67 115.72 2kct s ASP 48 Ca 0.24 -0.47 0.10 0.00 -3.30 0.00 0.00 52.55 49.12 2kct s ASP 48 Cb -0.15 0.54 0.16 0.00 -1.09 0.00 0.00 42.92 42.37 2kct s ASP 48 CO 0.09 -1.00 1.07 0.29 0.70 0.00 0.00 175.17 176.32 2kct n LYS 49 N -0.48 0.82 -0.14 2.11 5.02 -1.26 -4.73 118.16 119.48 2kct n LYS 49 Ca -0.06 -1.87 -0.11 0.00 -2.02 0.00 0.00 58.31 54.26 2kct n LYS 49 Cb 0.60 -1.06 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 2kct n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2kct h LEU 50 N 0.00 0.83 -7.96 -0.35 3.38 -1.98 -3.26 115.31 105.96 2kct h LEU 50 Ca 0.00 -0.37 -0.63 0.00 0.09 0.00 0.00 57.88 56.98 2kct h LEU 50 Cb 1.14 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2kct h LEU 50 CO 0.00 1.00 1.87 -1.00 0.09 0.00 0.00 178.44 180.40 2kct s HIS 51 N -4.78 2.63 0.47 1.13 3.76 -1.26 -5.00 115.29 112.24 2kct s HIS 51 Ca -0.12 -1.20 -0.24 0.00 -0.15 0.00 0.00 55.06 53.35 2kct s HIS 51 Cb 0.11 -4.69 -0.07 0.00 1.11 0.00 0.00 32.58 29.04 2kct s HIS 51 CO 0.83 -1.83 1.31 0.99 -0.85 0.00 0.00 174.74 175.19 2kct s THR 52 N 4.93 2.46 -0.38 1.30 2.01 -1.23 -4.99 115.64 119.74 2kct s THR 52 Ca 0.52 0.38 -0.15 0.00 0.31 0.00 0.00 61.69 62.74 2kct s THR 52 Cb 0.02 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2kct s THR 52 CO 0.02 0.03 0.36 -0.69 -0.69 0.00 0.00 174.62 173.64 2kct s VAL 53 N -1.32 5.18 -0.29 3.82 1.01 -0.79 -4.93 120.40 123.07 2kct s VAL 53 Ca 0.63 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 2kct s VAL 53 Cb -0.38 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2kct s VAL 53 CO 0.47 -0.22 0.13 -0.60 0.00 0.00 0.00 175.10 174.88 2kct s ARG 54 N 1.95 3.45 -0.04 2.72 3.52 -1.26 -1.47 118.95 127.81 2kct s ARG 54 Ca 0.10 -0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2kct s ARG 54 Cb -0.17 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2kct s ARG 54 CO 0.12 -0.34 0.01 -1.17 -0.81 0.00 0.00 175.30 173.11 2kct s LEU 55 N 1.62 3.60 0.09 -0.88 0.20 -0.37 -4.97 118.68 117.98 2kct s LEU 55 Ca 0.05 0.08 0.10 0.00 0.69 0.00 0.00 54.13 55.05 2kct s LEU 55 Cb -0.16 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 2kct s LEU 55 CO 0.06 0.32 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.83 2kct s PHE 56 N -1.01 2.37 -1.82 5.38 0.08 -1.26 -2.16 117.98 119.56 2kct s PHE 56 Ca 0.17 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.86 2kct s PHE 56 Cb -0.11 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2kct s PHE 56 CO 0.07 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.88 2kct n GLY 57 N 1.21 -1.31 3.42 4.36 0.00 -1.09 -4.64 105.19 107.14 2kct n GLY 57 Ca -0.17 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.97 2.69 -0.04 2.61 2.01 -0.13 -1.04 115.64 118.77 2kct s THR 58 Ca 0.00 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 2kct s THR 58 Cb 0.00 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2kct s THR 58 CO 0.00 0.56 1.12 -0.69 -0.69 0.00 0.00 174.62 174.92 2kct s VAL 59 N -0.72 4.43 0.39 3.82 1.01 -0.64 -1.27 120.40 127.43 2kct s VAL 59 Ca 0.11 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 2kct s VAL 59 Cb -0.10 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 2kct s VAL 59 CO 0.01 0.05 0.86 0.00 0.00 0.00 0.00 175.10 176.01 2kct s ALA 60 N 1.76 3.17 0.11 5.51 0.00 -0.84 -1.75 121.76 129.72 2kct s ALA 60 Ca 0.54 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2kct s ALA 60 Cb -0.24 -2.97 -0.21 0.00 0.00 0.00 0.00 23.12 19.70 2kct s ALA 60 CO 0.23 0.18 1.25 0.00 0.00 0.00 0.00 175.76 177.42 2kct h ALA 61 N 1.94 0.29 -1.63 0.00 0.00 -1.91 -3.42 119.26 114.53 2kct h ALA 61 Ca -0.48 -0.89 -0.62 0.00 0.00 0.00 0.00 54.91 52.92 2kct h ALA 61 Cb 1.18 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 2kct h ALA 61 CO 0.63 1.14 0.59 -0.51 0.00 0.00 0.00 179.25 181.09 2kct s ASP 62 N -6.86 6.17 0.00 0.00 1.01 -1.26 -4.20 116.67 111.53 2kct s ASP 62 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.32 2kct s ASP 62 Cb 0.09 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2kct s ASP 62 CO 0.84 -1.47 0.00 0.61 0.21 0.00 0.00 175.17 175.36 2kct n GLY 63 N 5.33 0.78 2.71 0.21 0.00 -1.26 -4.69 105.19 108.27 2kct n GLY 63 Ca -0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.04 -0.03 -0.15 0.99 0.20 -1.26 -0.90 118.68 117.49 2kct s LEU 64 Ca 0.00 -0.62 0.00 0.00 0.69 0.00 0.00 54.13 54.20 2kct s LEU 64 Cb 0.00 0.28 0.03 0.00 -0.43 0.00 0.00 46.19 46.07 2kct s LEU 64 CO 0.00 -0.37 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.67 2kct s THR 65 N 2.29 1.51 0.12 3.68 2.01 0.04 -5.02 115.64 120.27 2kct s THR 65 Ca 0.08 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 2kct s THR 65 Cb -0.15 -1.46 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 2kct s THR 65 CO -0.24 0.40 0.56 -0.04 -0.69 0.00 0.00 174.62 174.60 2kct s MET 66 N 1.50 4.06 -0.01 4.92 -1.94 -1.26 -0.63 119.30 125.95 2kct s MET 66 Ca 0.04 0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 54.31 2kct s MET 66 Cb -0.13 -3.05 -0.06 0.00 2.01 0.00 0.00 34.83 33.59 2kct s MET 66 CO -0.10 0.54 1.61 -0.51 -0.01 0.00 0.00 175.02 176.55 2kct s LEU 67 N -1.62 4.33 -0.16 -0.03 1.43 -0.96 -4.91 118.68 116.77 2kct s LEU 67 Ca 0.34 2.29 -0.28 0.00 -1.03 0.00 0.00 54.13 55.45 2kct s LEU 67 Cb -0.17 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2kct s LEU 67 CO 0.19 -0.88 0.96 -1.81 0.23 0.00 0.00 176.35 175.04 2kct s ASP 68 N 2.81 7.11 -1.39 2.29 1.11 -1.26 -3.36 116.67 123.98 2kct s ASP 68 Ca 0.72 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.83 2kct s ASP 68 Cb -0.35 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.12 2kct s ASP 68 CO 0.30 -0.50 0.00 0.61 1.18 0.00 0.00 175.17 176.76 2kct n GLY 69 N 3.28 0.90 3.29 0.21 0.00 -1.26 -5.00 105.19 106.61 2kct n GLY 69 Ca 0.08 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.58 -0.98 -0.23 4.61 0.00 -1.22 -5.14 121.76 116.23 2kct s ALA 70 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 2kct s ALA 70 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2kct s ALA 70 CO 0.00 -0.23 1.32 -1.25 0.00 0.00 0.00 175.76 175.60 2kct s PRO 71 N -0.42 4.05 0.00 0.00 0.04 -1.26 -4.47 135.00 132.93 2kct s PRO 71 Ca -0.06 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2kct s PRO 71 Cb -0.03 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2kct s PRO 71 CO 0.02 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2kct n GLY 72 N 4.03 -0.82 3.53 0.56 0.00 -0.70 -1.32 105.19 110.48 2kct n GLY 72 Ca 0.15 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.07 -0.01 -0.11 1.61 0.11 -0.18 -2.25 120.40 117.50 2kct s VAL 73 Ca 0.00 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 2kct s VAL 73 Cb 0.00 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 2kct s VAL 73 CO 0.00 0.01 0.43 -0.60 -3.33 0.00 0.00 175.10 171.61 2kct s ARG 74 N 1.30 4.27 0.10 1.54 3.52 0.20 -1.30 118.95 128.58 2kct s ARG 74 Ca -0.08 0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.78 2kct s ARG 74 Cb -0.06 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2kct s ARG 74 CO -0.14 0.24 0.26 -0.59 -0.81 0.00 0.00 175.30 174.26 2kct s PHE 75 N 0.38 0.03 -0.39 5.12 -0.71 -0.73 -0.78 117.98 120.90 2kct s PHE 75 Ca 0.24 -0.41 -0.17 0.00 -1.04 0.00 0.00 56.93 55.54 2kct s PHE 75 Cb -0.15 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2kct s PHE 75 CO 0.09 -0.59 0.46 0.50 -1.34 0.00 0.00 175.22 174.35 2kct s ARG 76 N -3.75 3.32 -0.30 1.99 3.52 -0.08 -1.29 118.95 122.35 2kct s ARG 76 Ca 0.04 -0.52 -0.18 0.00 -0.13 0.00 0.00 55.73 54.94 2kct s ARG 76 Cb 0.04 -3.90 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 2kct s ARG 76 CO -0.11 -0.76 0.49 -1.17 -0.81 0.00 0.00 175.30 172.94 2kct s LEU 77 N 2.25 4.19 -0.41 -0.88 2.96 -0.16 -1.98 118.68 124.65 2kct s LEU 77 Ca 0.15 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.16 2kct s LEU 77 Cb -0.16 -2.59 0.05 0.00 0.50 0.00 0.00 46.19 43.98 2kct s LEU 77 CO 0.14 -0.37 0.27 -1.61 -1.32 0.00 0.00 176.35 173.46 2kct s GLU 78 N 2.32 2.82 -0.35 1.98 2.02 -0.40 -2.06 118.70 125.04 2kct s GLU 78 Ca 0.19 -1.22 -0.28 0.00 0.02 0.00 0.00 54.97 53.69 2kct s GLU 78 Cb -0.16 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2kct s GLU 78 CO 0.11 -0.83 2.09 -0.51 0.02 0.00 0.00 175.26 176.14 2kct s ASP 79 N 1.91 5.37 0.54 -0.19 1.11 -1.26 -0.95 116.67 123.19 2kct s ASP 79 Ca 0.03 1.39 0.35 0.00 0.18 0.00 0.00 52.55 54.51 2kct s ASP 79 Cb -0.21 -2.52 1.54 0.00 1.07 0.00 0.00 42.92 42.80 2kct s ASP 79 CO 0.06 -2.11 1.83 0.07 1.18 0.00 0.00 175.17 176.20 2kct h LYS 80 N 15.28 0.00 0.01 8.23 -0.00 -1.93 0.29 116.57 138.45 2kct h LYS 80 Ca -0.34 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.01 2kct h LYS 80 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.40 2kct h LYS 80 CO 1.05 0.00 -1.63 -0.25 -0.00 0.00 0.00 179.45 178.61 2kct n ASP 81 N -4.19 1.91 -2.88 7.07 8.00 -1.26 -4.57 116.55 120.62 2kct n ASP 81 Ca 0.24 0.37 -0.38 0.00 0.71 0.00 0.00 54.79 55.72 2kct n ASP 81 Cb 1.18 -0.91 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 2kct n ASP 81 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kct n ASN 82 N -4.27 7.19 0.00 -2.24 5.15 -0.24 -4.73 115.26 116.12 2kct n ASN 82 Ca -0.37 -3.82 0.13 0.00 -0.60 0.00 0.00 54.58 49.91 2kct n ASN 82 Cb 0.77 -1.00 0.65 0.00 -0.53 0.00 0.00 39.78 39.67 2kct n ASN 82 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2kct n THR 83 N -0.52 0.15 0.18 -0.44 5.66 0.86 -2.03 114.28 118.14 2kct n THR 83 Ca 0.52 0.04 0.04 0.00 -3.05 0.00 0.00 64.05 61.60 2kct n THR 83 Cb 0.28 -0.60 0.47 0.00 -1.55 0.00 0.00 70.33 68.93 2kct n THR 83 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kct h SER 84 N 0.00 0.09 -3.46 1.09 0.02 -1.85 -3.33 113.55 106.12 2kct h SER 84 Ca 0.00 -0.02 -0.79 0.00 -0.84 0.00 0.00 61.79 60.15 2kct h SER 84 Cb 0.28 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 62.54 2kct h SER 84 CO 0.00 0.25 0.45 -0.75 -1.14 0.00 0.00 176.83 175.64 2kct s LYS 85 N -4.73 4.01 -0.43 3.45 2.20 -0.86 -5.02 119.74 118.36 2kct s LYS 85 Ca -0.05 -2.90 -0.24 0.00 -0.36 0.00 0.00 55.97 52.43 2kct s LYS 85 Cb 0.16 -4.58 0.02 0.00 -1.51 0.00 0.00 37.83 31.92 2kct s LYS 85 CO 0.71 -1.32 0.85 0.95 -0.36 0.00 0.00 175.35 176.17 2kct s THR 86 N -0.45 4.59 -0.13 3.43 -4.23 -1.25 -4.37 115.64 113.23 2kct s THR 86 Ca 0.28 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 2kct s THR 86 Cb -0.09 -4.34 -0.04 0.00 1.34 0.00 0.00 72.50 69.37 2kct s THR 86 CO -0.08 -0.69 0.10 -0.69 -0.54 0.00 0.00 174.62 172.73 2kct s VAL 87 N 3.44 5.16 0.29 2.29 1.01 -0.87 -4.90 120.40 126.81 2kct s VAL 87 Ca 0.34 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 2kct s VAL 87 Cb -0.12 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2kct s VAL 87 CO 0.23 0.57 0.84 0.26 0.00 0.00 0.00 175.10 177.00 2kct s TRP 88 N -0.61 3.64 -0.09 5.22 0.52 -1.19 -0.99 118.94 125.46 2kct s TRP 88 Ca 0.12 1.59 -0.00 0.00 0.02 0.00 0.00 56.10 57.82 2kct s TRP 88 Cb -0.12 -2.78 0.02 0.00 -1.15 0.00 0.00 33.47 29.45 2kct s TRP 88 CO 0.02 0.24 -0.05 0.08 0.02 0.00 0.00 176.95 177.27 2kct s VAL 89 N -1.62 0.72 -0.75 4.03 1.01 -0.41 -0.88 120.40 122.49 2kct s VAL 89 Ca 0.48 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 2kct s VAL 89 Cb -0.17 -0.79 0.15 0.00 0.00 0.00 0.00 36.38 35.58 2kct s VAL 89 CO 0.22 0.31 0.81 -0.22 0.00 0.00 0.00 175.10 176.22 2kct s LEU 90 N 1.64 5.88 -0.27 3.92 2.96 0.06 -1.77 118.68 131.10 2kct s LEU 90 Ca 0.02 -2.07 -0.26 0.00 -0.22 0.00 0.00 54.13 51.60 2kct s LEU 90 Cb -0.13 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2kct s LEU 90 CO -0.05 -0.88 0.91 -0.47 -1.32 0.00 0.00 176.35 174.54 2kct s TYR 91 N 1.67 3.25 -0.33 5.38 5.04 -0.42 -1.78 117.35 130.16 2kct s TYR 91 Ca 0.18 1.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.87 2kct s TYR 91 Cb -0.15 -3.28 0.03 0.00 0.35 0.00 0.00 41.96 38.91 2kct s TYR 91 CO -0.03 -0.54 0.10 0.15 -1.34 0.00 0.00 175.55 173.89 2kct s LYS 92 N 3.12 2.73 0.00 4.97 1.02 -0.61 -1.01 119.74 129.96 2kct s LYS 92 Ca 0.38 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2kct s LYS 92 Cb -0.14 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2kct s LYS 92 CO 0.10 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 2kct n GLY 93 N 4.83 0.86 3.63 -3.33 0.00 -0.43 -4.48 105.19 106.27 2kct n GLY 93 Ca -0.13 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.98 3.23 -0.38 4.61 0.00 -1.26 -1.71 121.76 124.27 2kct s ALA 94 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 2kct s ALA 94 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 23.12 19.25 2kct s ALA 94 CO 0.00 -2.03 1.05 0.08 0.00 0.00 0.00 175.76 174.86 2kct s VAL 95 N 5.61 4.45 0.61 0.00 1.01 -1.26 -4.98 120.40 125.84 2kct s VAL 95 Ca 0.80 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 64.02 2kct s VAL 95 Cb -0.30 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 2kct s VAL 95 CO 0.32 -0.65 1.16 -2.16 0.00 0.00 0.00 175.10 173.77 2kct s PRO 96 N 3.83 2.93 0.43 2.72 0.04 -1.26 -4.94 135.00 138.75 2kct s PRO 96 Ca 0.44 1.65 0.30 0.00 0.04 0.00 0.00 61.00 63.42 2kct s PRO 96 Cb -0.11 -1.94 1.43 0.00 0.04 0.00 0.00 34.50 33.92 2kct s PRO 96 CO 0.21 -1.19 1.90 -0.44 0.04 0.00 0.00 177.00 177.51 2kct h ASP 97 N 0.62 0.00 0.83 6.66 5.19 -2.02 -2.44 116.42 125.26 2kct h ASP 97 Ca -0.49 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.87 2kct h ASP 97 Cb 1.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2kct h ASP 97 CO 0.55 0.00 -0.22 0.00 -3.12 0.00 0.00 179.24 176.44 2kct h THR 98 N 0.00 0.59 -2.70 0.35 1.03 -1.96 -3.43 112.91 106.78 2kct h THR 98 Ca 0.00 -1.07 -0.55 0.00 -0.01 0.00 0.00 66.41 64.78 2kct h THR 98 Cb 0.21 1.72 -0.01 0.00 -1.07 0.00 0.00 68.15 69.00 2kct h THR 98 CO 0.00 0.22 1.01 0.12 -0.01 0.00 0.00 175.52 176.86 2kct s PHE 99 N -3.73 2.27 -0.01 0.00 5.36 -0.92 -4.78 117.98 116.18 2kct s PHE 99 Ca -0.00 0.39 -0.28 0.00 -0.96 0.00 0.00 56.93 56.08 2kct s PHE 99 Cb 0.11 -3.84 0.10 0.00 -0.34 0.00 0.00 43.02 39.04 2kct s PHE 99 CO 0.63 -3.42 0.84 -1.59 -1.46 0.00 0.00 175.22 170.22 2kct s LYS 100 N 3.51 0.88 -0.07 10.12 -2.85 -1.26 -5.02 119.74 125.04 2kct s LYS 100 Ca 0.70 -0.21 -0.31 0.00 -1.00 0.00 0.00 55.97 55.15 2kct s LYS 100 Cb -0.33 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 35.76 2kct s LYS 100 CO 0.28 -0.36 2.02 -0.35 0.10 0.00 0.00 175.35 177.04 2kct n PRO 101 N -0.01 2.40 0.00 1.78 -0.04 -1.26 -2.46 135.00 135.40 2kct n PRO 101 Ca -0.11 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2kct n PRO 101 Cb 0.61 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2kct n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kct n GLY 102 N 4.90 2.06 3.88 0.55 0.00 -0.72 -4.92 105.19 110.94 2kct n GLY 102 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.02 5.15 -0.05 1.61 0.11 -1.03 -4.88 120.40 119.28 2kct s VAL 103 Ca 0.00 0.21 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2kct s VAL 103 Cb 0.00 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2kct s VAL 103 CO 0.00 0.15 0.73 -1.61 -3.33 0.00 0.00 175.10 171.03 2kct s GLU 104 N -2.32 4.45 0.19 1.54 2.02 -1.26 -1.61 118.70 121.70 2kct s GLU 104 Ca 0.37 0.93 0.08 0.00 0.02 0.00 0.00 54.97 56.37 2kct s GLU 104 Cb -0.13 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2kct s GLU 104 CO 0.21 0.07 0.00 0.14 0.02 0.00 0.00 175.26 175.71 2kct s VAL 105 N 0.74 3.70 -0.15 2.63 -7.23 -0.21 -1.57 120.40 118.32 2kct s VAL 105 Ca 0.39 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 2kct s VAL 105 Cb -0.18 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.90 2kct s VAL 105 CO 0.19 -0.15 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.04 2kct s ILE 106 N -1.82 1.65 -0.06 -0.62 1.01 0.62 -2.68 121.20 119.30 2kct s ILE 106 Ca 0.28 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2kct s ILE 106 Cb -0.09 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.87 2kct s ILE 106 CO 0.19 0.47 -0.08 0.27 0.00 0.00 0.00 174.94 175.79 2kct s ILE 107 N 1.35 0.84 0.11 2.92 -4.36 -0.92 -1.54 121.20 119.61 2kct s ILE 107 Ca 0.03 -0.30 0.04 0.00 -0.26 0.00 0.00 60.65 60.16 2kct s ILE 107 Cb -0.13 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 2kct s ILE 107 CO -0.09 0.29 0.05 -1.61 0.24 0.00 0.00 174.94 173.82 2kct s GLU 108 N 0.79 2.70 0.00 0.37 8.01 -1.25 -1.23 118.70 128.09 2kct s GLU 108 Ca -0.13 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.03 2kct s GLU 108 Cb -0.15 -2.60 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 2kct s GLU 108 CO 0.02 0.53 0.00 0.41 0.01 0.00 0.00 175.26 176.23 2kct n GLY 109 N 0.32 -0.54 3.36 -1.39 0.00 -0.54 -2.50 105.19 103.90 2kct n GLY 109 Ca -0.10 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.17 -0.12 -0.02 0.00 -0.97 -1.89 107.32 104.49 2kct s GLY 110 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 2kct s GLY 110 CO 0.00 -0.61 -0.06 -2.27 0.00 0.00 0.00 173.10 170.16 2kct s LEU 111 N -2.90 1.20 0.04 0.66 2.96 -1.26 -1.62 118.68 117.75 2kct s LEU 111 Ca 0.11 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.39 2kct s LEU 111 Cb 0.02 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 2kct s LEU 111 CO -0.04 -0.15 0.80 0.00 -1.32 0.00 0.00 176.35 175.64 2kct s ALA 112 N 1.73 3.34 0.29 5.97 0.00 -1.26 -4.98 121.76 126.85 2kct s ALA 112 Ca 0.04 0.32 0.26 0.00 0.00 0.00 0.00 51.96 52.58 2kct s ALA 112 Cb -0.13 -3.05 1.23 0.00 0.00 0.00 0.00 23.12 21.17 2kct s ALA 112 CO -0.08 0.02 1.97 -1.00 0.00 0.00 0.00 175.76 176.67 2kct h PRO 113 N 5.84 0.00 0.00 0.00 0.13 -2.01 -1.92 132.00 134.04 2kct h PRO 113 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kct h PRO 113 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kct h PRO 113 CO 0.72 0.17 0.00 0.78 -0.23 0.00 0.00 178.00 179.43 2kct h GLY 114 N 1.38 0.00 -3.35 1.56 0.00 -2.01 -3.46 103.07 97.20 2kct h GLY 114 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2kct h GLY 114 CO 0.02 0.00 -0.60 -0.54 0.00 0.00 0.00 176.54 175.42 2kct s GLU 115 N -3.28 2.64 -0.28 4.80 2.02 -0.72 -5.03 118.70 118.85 2kct s GLU 115 Ca 0.07 -1.07 0.11 0.00 0.02 0.00 0.00 54.97 54.09 2kct s GLU 115 Cb 0.08 -2.46 0.56 0.00 0.10 0.00 0.00 34.13 32.41 2kct s GLU 115 CO 0.60 0.44 1.54 -0.25 0.02 0.00 0.00 175.26 177.61 2kct n ASP 116 N -0.52 3.26 -3.82 -0.19 8.00 -1.26 -4.69 116.55 117.34 2kct n ASP 116 Ca -0.08 -3.49 -0.23 0.00 0.71 0.00 0.00 54.79 51.70 2kct n ASP 116 Cb 0.56 -0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 40.84 2kct n ASP 116 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kct s THR 117 N -3.11 0.55 0.02 -3.53 -1.32 -1.26 -3.16 115.64 103.83 2kct s THR 117 Ca 0.46 -0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.64 2kct s THR 117 Cb 0.40 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2kct s THR 117 CO 0.05 0.28 1.00 0.12 -2.21 0.00 0.00 174.62 173.87 2kct s PHE 118 N 1.78 3.65 -0.31 9.09 2.19 -0.06 -4.46 117.98 129.85 2kct s PHE 118 Ca 0.03 1.67 -0.14 0.00 0.33 0.00 0.00 56.93 58.82 2kct s PHE 118 Cb -0.13 -3.15 -0.03 0.00 -1.31 0.00 0.00 43.02 38.41 2kct s PHE 118 CO -0.05 -0.13 0.31 -1.59 1.83 0.00 0.00 175.22 175.59 2kct s LYS 119 N 0.88 3.72 -0.16 10.12 0.00 -0.64 -0.76 119.74 132.91 2kct s LYS 119 Ca 0.52 -0.33 -0.03 0.00 0.00 0.00 0.00 55.97 56.12 2kct s LYS 119 Cb -0.22 -3.75 -0.02 0.00 0.00 0.00 0.00 37.83 33.84 2kct s LYS 119 CO 0.28 -0.40 -0.04 0.00 0.00 0.00 0.00 175.35 175.19 2kct s ALA 120 N 1.94 2.95 -1.22 0.59 0.00 -0.74 -2.29 121.76 122.99 2kct s ALA 120 Ca 0.11 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.42 2kct s ALA 120 Cb -0.16 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.31 2kct s ALA 120 CO 0.11 0.14 1.00 2.89 0.00 0.00 0.00 175.76 179.90 2kct n ARG 121 N 3.69 0.26 -4.11 0.00 0.00 -1.04 -1.57 116.66 113.89 2kct n ARG 121 Ca -0.17 -0.21 -0.14 0.00 -0.00 0.00 0.00 57.85 57.33 2kct n ARG 121 Cb 0.52 -1.50 -0.11 0.00 -0.00 0.00 0.00 32.46 31.38 2kct n ARG 121 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2kct s THR 122 N -2.89 0.70 -0.24 8.89 -4.23 -1.25 -4.78 115.64 111.84 2kct s THR 122 Ca 0.11 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2kct s THR 122 Cb 0.17 -0.93 0.13 0.00 1.34 0.00 0.00 72.50 73.21 2kct s THR 122 CO 0.79 -0.45 0.37 -0.22 -0.54 0.00 0.00 174.62 174.56 2kct s LEU 123 N -1.93 -0.59 -0.14 4.79 2.96 -1.26 -3.97 118.68 118.54 2kct s LEU 123 Ca -0.04 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2kct s LEU 123 Cb -0.07 1.06 0.05 0.00 0.50 0.00 0.00 46.19 47.73 2kct s LEU 123 CO -0.00 -0.30 0.03 -0.32 -1.32 0.00 0.00 176.35 174.44 2kct s MET 124 N 2.53 0.52 0.48 1.98 -2.45 -0.59 -4.90 119.30 116.87 2kct s MET 124 Ca 0.12 -0.15 -0.19 0.00 -1.25 0.00 0.00 55.69 54.22 2kct s MET 124 Cb -0.15 -1.60 -0.09 0.00 1.25 0.00 0.00 34.83 34.24 2kct s MET 124 CO -0.16 -0.51 0.99 0.95 1.05 0.00 0.00 175.02 177.34 2kct s THR 125 N 1.95 4.20 0.08 10.11 -4.23 -1.26 -0.28 115.64 126.22 2kct s THR 125 Ca 0.02 1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 61.67 2kct s THR 125 Cb -0.15 -3.56 -0.22 0.00 1.34 0.00 0.00 72.50 69.91 2kct s THR 125 CO -0.07 -0.38 1.21 0.11 -0.54 0.00 0.00 174.62 174.95 2kct h LYS 126 N 1.50 0.72 -4.59 3.99 1.57 -1.64 -3.41 116.57 114.72 2kct h LYS 126 Ca -0.49 -0.74 -0.71 0.00 -1.87 0.00 0.00 60.65 56.85 2kct h LYS 126 Cb 1.20 0.20 -0.22 0.00 0.08 0.00 0.00 32.23 33.49 2kct h LYS 126 CO 0.60 1.32 -0.48 0.00 -0.57 0.00 0.00 179.45 180.32 2kct s PRO 128 N 1.64 2.70 0.23 0.00 0.04 -1.26 -4.92 135.00 133.44 2kct s PRO 128 Ca 0.04 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2kct s PRO 128 Cb -0.19 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 2kct s PRO 128 CO 0.09 -1.36 1.59 -0.48 0.04 0.00 0.00 177.00 176.88 2kct s LEU 129 N -4.71 4.36 0.00 -3.56 2.34 -1.26 -5.10 118.68 110.76 2kct s LEU 129 Ca 0.71 2.80 0.00 0.00 0.06 0.00 0.00 54.13 57.70 2kct s LEU 129 Cb -0.25 -3.61 0.00 0.00 -0.56 0.00 0.00 46.19 41.77 2kct s LEU 129 CO 0.40 -0.87 0.24 -1.84 -1.06 0.00 0.00 176.35 173.22