#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct n ALA 44 N 0.00 2.97 -1.96 3.04 0.00 -1.26 -4.92 120.51 118.38 2kct n ALA 44 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 2kct n ALA 44 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2kct n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kct s THR 45 N -1.67 3.49 -0.74 0.00 2.01 -1.26 -4.92 115.64 112.55 2kct s THR 45 Ca 0.21 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.55 2kct s THR 45 Cb 0.15 -3.40 -0.14 0.00 0.01 0.00 0.00 72.50 69.12 2kct s THR 45 CO 0.07 -0.07 2.41 -2.65 -0.69 0.00 0.00 174.62 173.68 2kct n PRO 46 N 7.29 0.62 -0.80 4.92 -0.02 -1.26 -4.83 135.00 140.91 2kct n PRO 46 Ca 0.18 -0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 60.90 2kct n PRO 46 Cb 0.43 -3.48 0.03 0.00 -0.02 0.00 0.00 33.50 30.46 2kct n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kct n GLN 47 N 8.67 1.64 0.00 -0.52 10.64 -1.26 -4.50 117.38 132.05 2kct n GLN 47 Ca 0.46 -1.26 0.11 0.00 -1.83 0.00 0.00 57.00 54.48 2kct n GLN 47 Cb 0.43 -1.49 0.63 0.00 -0.86 0.00 0.00 30.24 28.95 2kct n GLN 47 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2kct n ASP 48 N 0.54 0.00 -0.19 2.61 8.00 -1.26 -2.17 116.55 124.08 2kct n ASP 48 Ca 0.24 -0.85 -0.06 0.00 0.71 0.00 0.00 54.79 54.83 2kct n ASP 48 Cb 0.58 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.78 2kct n ASP 48 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kct h LYS 49 N 0.00 0.99 0.00 -1.24 1.79 -1.95 -3.05 116.57 113.10 2kct h LYS 49 Ca 0.00 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.07 2kct h LYS 49 Cb 0.00 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2kct h LYS 49 CO 0.00 0.91 -1.03 -0.07 -1.08 0.00 0.00 179.45 178.17 2kct h LEU 50 N 0.93 0.00 -8.84 2.94 3.38 -1.83 -3.46 115.31 108.43 2kct h LEU 50 Ca 0.19 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.56 2kct h LEU 50 Cb 0.40 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 2kct h LEU 50 CO 0.01 0.60 0.51 -1.00 0.09 0.00 0.00 178.44 178.65 2kct s HIS 51 N -2.91 3.11 -0.40 1.13 3.76 -1.15 -5.03 115.29 113.80 2kct s HIS 51 Ca 0.00 0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 55.51 2kct s HIS 51 Cb 0.08 -3.51 0.04 0.00 1.11 0.00 0.00 32.58 30.30 2kct s HIS 51 CO 0.79 -0.76 0.26 0.95 -0.85 0.00 0.00 174.74 175.13 2kct s THR 52 N 3.29 4.79 -0.17 1.30 -4.23 -1.25 -3.68 115.64 115.70 2kct s THR 52 Ca 0.35 -0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 59.89 2kct s THR 52 Cb -0.13 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 2kct s THR 52 CO 0.17 -0.32 0.13 -0.69 -0.54 0.00 0.00 174.62 173.36 2kct s VAL 53 N 1.58 5.39 -0.46 2.29 1.01 0.01 -4.76 120.40 125.47 2kct s VAL 53 Ca 0.03 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2kct s VAL 53 Cb -0.20 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2kct s VAL 53 CO 0.07 0.51 0.49 -0.60 0.00 0.00 0.00 175.10 175.57 2kct s ARG 54 N -0.19 3.08 -0.02 2.72 3.52 -1.26 -3.04 118.95 123.76 2kct s ARG 54 Ca 0.10 -0.91 0.06 0.00 -0.13 0.00 0.00 55.73 54.85 2kct s ARG 54 Cb -0.11 -4.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.21 2kct s ARG 54 CO 0.00 -1.00 -0.19 -1.17 -0.81 0.00 0.00 175.30 172.13 2kct s LEU 55 N 2.19 2.46 0.03 -0.88 0.20 -0.59 -5.01 118.68 117.09 2kct s LEU 55 Ca 0.11 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 54.68 2kct s LEU 55 Cb -0.19 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 2kct s LEU 55 CO 0.12 0.32 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.88 2kct s PHE 56 N -0.73 2.24 0.00 5.38 0.40 -1.26 -1.34 117.98 122.67 2kct s PHE 56 Ca 0.12 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2kct s PHE 56 Cb -0.10 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.07 2kct s PHE 56 CO 0.01 0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.43 2kct n GLY 57 N 1.91 0.79 3.06 4.36 0.00 -0.93 -4.18 105.19 110.21 2kct n GLY 57 Ca -0.17 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.07 0.90 0.09 2.61 2.01 -0.45 -1.60 115.64 117.13 2kct s THR 58 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 2kct s THR 58 Cb 0.00 -0.75 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 2kct s THR 58 CO 0.00 0.24 1.15 -0.69 -0.69 0.00 0.00 174.62 174.63 2kct s VAL 59 N -0.29 4.05 0.24 3.82 1.01 -0.07 -0.63 120.40 128.53 2kct s VAL 59 Ca 0.04 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 2kct s VAL 59 Cb -0.05 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2kct s VAL 59 CO -0.00 0.16 0.47 0.00 0.00 0.00 0.00 175.10 175.73 2kct s ALA 60 N 0.67 3.73 0.01 5.51 0.00 -0.92 -0.76 121.76 130.00 2kct s ALA 60 Ca 0.55 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2kct s ALA 60 Cb -0.29 -2.15 -0.29 0.00 0.00 0.00 0.00 23.12 20.39 2kct s ALA 60 CO 0.31 0.35 0.90 0.00 0.00 0.00 0.00 175.76 177.33 2kct h ALA 61 N 1.88 0.17 -0.78 0.00 0.00 -1.89 -3.38 119.26 115.26 2kct h ALA 61 Ca -0.48 -1.04 -0.69 0.00 0.00 0.00 0.00 54.91 52.70 2kct h ALA 61 Cb 1.19 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2kct h ALA 61 CO 0.67 1.04 2.29 -0.25 0.00 0.00 0.00 179.25 183.00 2kct n ASP 62 N -3.52 4.81 0.00 0.00 8.00 -1.26 -2.37 116.55 122.21 2kct n ASP 62 Ca -0.16 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.43 2kct n ASP 62 Cb 1.05 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2kct n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kct n GLY 63 N 5.13 -0.78 3.56 0.44 0.00 -1.26 -4.80 105.19 107.48 2kct n GLY 63 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 3.33 -0.38 0.99 0.20 -1.00 -3.79 118.68 118.03 2kct s LEU 64 Ca 0.00 -0.88 -0.12 0.00 0.69 0.00 0.00 54.13 53.82 2kct s LEU 64 Cb 0.00 -2.56 0.02 0.00 -0.43 0.00 0.00 46.19 43.22 2kct s LEU 64 CO 0.00 -1.80 0.23 -0.89 -0.29 0.00 0.00 176.35 173.60 2kct s THR 65 N 6.01 4.79 -0.29 3.68 2.01 0.53 -4.98 115.64 127.39 2kct s THR 65 Ca 0.46 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 2kct s THR 65 Cb -0.04 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2kct s THR 65 CO 0.02 -0.23 1.04 -0.04 -0.69 0.00 0.00 174.62 174.72 2kct s MET 66 N 1.60 4.12 0.09 4.92 -1.94 -1.26 -0.48 119.30 126.34 2kct s MET 66 Ca 0.03 1.12 -0.31 0.00 -1.71 0.00 0.00 55.69 54.82 2kct s MET 66 Cb -0.19 -3.71 -0.10 0.00 2.01 0.00 0.00 34.83 32.84 2kct s MET 66 CO 0.08 -0.80 1.87 1.28 -0.01 0.00 0.00 175.02 177.43 2kct n LEU 67 N 6.66 4.04 -4.55 -0.03 4.77 -1.17 -4.87 117.00 121.85 2kct n LEU 67 Ca 0.11 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.67 2kct n LEU 67 Cb 0.47 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 2kct n LEU 67 CO 0.56 0.17 1.53 -1.81 -1.33 0.00 0.00 177.39 176.51 2kct s ASP 68 N 3.17 5.43 0.00 -1.43 1.01 -1.26 -3.50 116.67 120.09 2kct s ASP 68 Ca 0.84 0.19 0.00 0.00 0.71 0.00 0.00 52.55 54.29 2kct s ASP 68 Cb -0.48 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.91 2kct s ASP 68 CO 0.39 -2.29 0.00 0.61 0.21 0.00 0.00 175.17 174.09 2kct n GLY 69 N 5.66 1.81 3.72 0.21 0.00 -1.26 -4.98 105.19 110.34 2kct n GLY 69 Ca 0.17 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.34 3.52 -0.23 4.61 0.00 -1.23 -4.98 121.76 123.10 2kct s ALA 70 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2kct s ALA 70 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2kct s ALA 70 CO 0.00 -0.53 1.78 -1.25 0.00 0.00 0.00 175.76 175.76 2kct s PRO 71 N 0.71 3.59 0.00 0.00 0.04 -1.26 -4.46 135.00 133.61 2kct s PRO 71 Ca 0.60 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2kct s PRO 71 Cb -0.35 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2kct s PRO 71 CO 0.32 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2kct n GLY 72 N 5.05 -0.35 3.47 0.56 0.00 -0.82 -1.31 105.19 111.80 2kct n GLY 72 Ca 0.22 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.30 -0.01 0.05 1.61 0.11 -0.05 -3.05 120.40 116.75 2kct s VAL 73 Ca 0.00 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.94 2kct s VAL 73 Cb 0.00 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2kct s VAL 73 CO 0.00 0.01 0.44 -0.60 -3.33 0.00 0.00 175.10 171.62 2kct s ARG 74 N 1.11 3.91 0.34 1.54 6.06 0.37 -1.19 118.95 131.08 2kct s ARG 74 Ca -0.06 0.39 -0.17 0.00 -2.50 0.00 0.00 55.73 53.39 2kct s ARG 74 Cb -0.06 -3.13 0.04 0.00 0.06 0.00 0.00 34.95 31.86 2kct s ARG 74 CO -0.11 0.63 0.74 -0.59 -2.50 0.00 0.00 175.30 173.47 2kct s PHE 75 N -1.21 0.03 -0.26 5.12 -0.71 -0.75 -0.34 117.98 119.85 2kct s PHE 75 Ca 0.28 -0.60 -0.05 0.00 -1.04 0.00 0.00 56.93 55.52 2kct s PHE 75 Cb -0.16 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 2kct s PHE 75 CO 0.16 -1.40 0.03 -0.98 -1.34 0.00 0.00 175.22 171.68 2kct s ARG 76 N -3.06 3.21 -0.49 1.99 1.70 -1.26 -0.82 118.95 120.23 2kct s ARG 76 Ca 0.14 -0.76 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2kct s ARG 76 Cb -0.05 -3.21 0.03 0.00 -0.57 0.00 0.00 34.95 31.14 2kct s ARG 76 CO 0.10 -0.33 1.14 -1.17 -1.08 0.00 0.00 175.30 173.95 2kct s LEU 77 N 1.49 3.63 -0.62 -1.89 2.96 0.22 -2.17 118.68 122.30 2kct s LEU 77 Ca 0.04 0.43 -0.27 0.00 -0.22 0.00 0.00 54.13 54.11 2kct s LEU 77 Cb -0.16 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2kct s LEU 77 CO 0.00 -1.27 1.73 -1.61 -1.32 0.00 0.00 176.35 173.88 2kct s GLU 78 N 4.48 2.81 0.48 1.98 2.02 0.20 -1.56 118.70 129.11 2kct s GLU 78 Ca 0.47 0.49 -0.24 0.00 0.02 0.00 0.00 54.97 55.72 2kct s GLU 78 Cb -0.07 -4.32 -0.07 0.00 0.10 0.00 0.00 34.13 29.76 2kct s GLU 78 CO 0.31 -2.53 1.38 -3.47 0.02 0.00 0.00 175.26 170.97 2kct n ASP 79 N 11.83 2.95 0.22 -0.19 2.03 -1.11 -1.34 116.55 130.92 2kct n ASP 79 Ca 0.17 1.07 0.15 0.00 0.52 0.00 0.00 54.79 56.70 2kct n ASP 79 Cb 0.51 -1.58 0.66 0.00 -0.72 0.00 0.00 41.12 39.99 2kct n ASP 79 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kct h LYS 80 N 1.94 0.00 0.01 -0.67 1.79 -1.93 -2.93 116.57 114.78 2kct h LYS 80 Ca -0.50 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.56 2kct h LYS 80 Cb 1.29 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 2kct h LYS 80 CO 0.59 0.00 -2.29 -3.47 -1.08 0.00 0.00 179.45 173.20 2kct n ASP 81 N -2.68 1.97 -4.01 0.86 2.03 -1.26 -5.00 116.55 108.46 2kct n ASP 81 Ca 0.01 0.20 -0.25 0.00 0.52 0.00 0.00 54.79 55.26 2kct n ASP 81 Cb 0.23 -0.73 -0.17 0.00 -0.72 0.00 0.00 41.12 39.73 2kct n ASP 81 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kct s ASN 82 N -7.09 1.91 -0.00 1.67 2.47 -1.11 -4.98 114.94 107.81 2kct s ASN 82 Ca -0.35 -0.31 0.02 0.00 0.42 0.00 0.00 52.86 52.64 2kct s ASN 82 Cb 0.11 -0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 39.03 2kct s ASN 82 CO 0.56 0.01 0.09 1.07 -3.72 0.00 0.00 177.10 175.11 2kct n THR 83 N 4.05 0.00 0.30 -5.21 5.66 -1.26 -2.77 114.28 115.05 2kct n THR 83 Ca -0.21 -0.35 0.17 0.00 -3.05 0.00 0.00 64.05 60.61 2kct n THR 83 Cb 0.51 0.87 0.97 0.00 -1.55 0.00 0.00 70.33 71.13 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 0.00 -3.14 1.09 0.02 -1.95 -3.32 113.55 106.26 2kct h SER 84 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 2kct h SER 84 Cb 0.07 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.20 2kct h SER 84 CO 0.00 0.02 -0.75 -0.75 -1.14 0.00 0.00 176.83 174.21 2kct s LYS 85 N -4.36 0.19 0.53 3.45 2.20 -1.26 -5.16 119.74 115.33 2kct s LYS 85 Ca -0.04 -0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 2kct s LYS 85 Cb 0.14 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.73 2kct s LYS 85 CO 0.51 -0.61 0.90 0.95 -0.36 0.00 0.00 175.35 176.75 2kct s THR 86 N 2.08 4.77 -0.33 3.43 -4.23 -1.25 -4.74 115.64 115.37 2kct s THR 86 Ca 0.02 0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2kct s THR 86 Cb -0.16 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 2kct s THR 86 CO -0.08 -0.90 0.24 -0.69 -0.54 0.00 0.00 174.62 172.65 2kct s VAL 87 N -2.85 5.29 0.04 2.29 1.01 -0.60 -4.93 120.40 120.66 2kct s VAL 87 Ca 0.52 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 2kct s VAL 87 Cb -0.11 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2kct s VAL 87 CO 0.45 0.01 1.06 0.26 0.00 0.00 0.00 175.10 176.88 2kct s TRP 88 N 1.73 3.60 -0.23 5.22 0.52 -1.26 -0.61 118.94 127.90 2kct s TRP 88 Ca 0.06 1.57 -0.02 0.00 0.02 0.00 0.00 56.10 57.73 2kct s TRP 88 Cb -0.17 -3.22 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 2kct s TRP 88 CO 0.11 -0.44 -0.07 0.08 0.02 0.00 0.00 176.95 176.65 2kct s VAL 89 N 0.87 3.00 -0.77 4.03 1.01 0.00 -0.25 120.40 128.29 2kct s VAL 89 Ca 0.54 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2kct s VAL 89 Cb -0.24 -2.44 0.20 0.00 0.00 0.00 0.00 36.38 33.90 2kct s VAL 89 CO 0.29 0.32 0.72 -0.22 0.00 0.00 0.00 175.10 176.21 2kct s LEU 90 N 1.39 6.63 -0.17 3.92 2.96 -0.15 -1.81 118.68 131.45 2kct s LEU 90 Ca 0.03 -2.50 -0.24 0.00 -0.22 0.00 0.00 54.13 51.20 2kct s LEU 90 Cb -0.15 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2kct s LEU 90 CO -0.05 -0.64 0.76 -0.47 -1.32 0.00 0.00 176.35 174.63 2kct s TYR 91 N 0.49 3.42 -0.19 5.38 5.04 -0.34 -1.54 117.35 129.61 2kct s TYR 91 Ca 0.15 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.91 2kct s TYR 91 Cb -0.14 -2.93 -0.01 0.00 0.35 0.00 0.00 41.96 39.23 2kct s TYR 91 CO -0.06 -0.19 -0.07 0.15 -1.34 0.00 0.00 175.55 174.04 2kct s LYS 92 N 1.94 3.39 0.00 4.97 1.02 -1.17 -0.87 119.74 129.02 2kct s LYS 92 Ca 0.35 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.70 2kct s LYS 92 Cb -0.16 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2kct s LYS 92 CO 0.12 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2kct n GLY 93 N 4.39 0.74 3.63 -3.33 0.00 -0.42 -4.81 105.19 105.39 2kct n GLY 93 Ca -0.18 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.04 3.28 0.06 4.61 0.00 -1.26 -1.94 121.76 125.47 2kct s ALA 94 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 2kct s ALA 94 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2kct s ALA 94 CO 0.00 -1.94 0.89 0.08 0.00 0.00 0.00 175.76 174.79 2kct s VAL 95 N 5.15 4.67 0.58 0.00 1.01 -1.26 -4.97 120.40 125.58 2kct s VAL 95 Ca 0.71 1.90 -0.18 0.00 0.00 0.00 0.00 61.98 64.40 2kct s VAL 95 Cb -0.24 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2kct s VAL 95 CO 0.29 0.30 1.16 -2.16 0.00 0.00 0.00 175.10 174.68 2kct s PRO 96 N 0.22 3.10 0.53 2.72 0.04 -1.26 -4.95 135.00 135.40 2kct s PRO 96 Ca 0.45 1.67 0.32 0.00 0.04 0.00 0.00 61.00 63.47 2kct s PRO 96 Cb -0.22 -1.96 1.37 0.00 0.04 0.00 0.00 34.50 33.73 2kct s PRO 96 CO 0.27 -1.07 1.99 0.38 0.04 0.00 0.00 177.00 178.61 2kct h ASP 97 N 0.88 0.00 1.01 6.66 3.04 -2.02 -2.77 116.42 123.22 2kct h ASP 97 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2kct h ASP 97 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2kct h ASP 97 CO 0.56 0.07 0.00 0.71 -2.04 0.00 0.00 179.24 178.54 2kct h THR 98 N 0.00 0.00 -2.47 1.15 1.35 -1.95 -3.41 112.91 107.58 2kct h THR 98 Ca -0.00 -0.49 -0.54 0.00 -0.55 0.00 0.00 66.41 64.82 2kct h THR 98 Cb 0.50 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 2kct h THR 98 CO 0.01 0.00 1.28 0.12 -0.25 0.00 0.00 175.52 176.68 2kct s PHE 99 N -3.62 1.82 0.12 4.73 5.36 -1.05 -4.91 117.98 120.43 2kct s PHE 99 Ca 0.02 0.70 0.04 0.00 -0.96 0.00 0.00 56.93 56.73 2kct s PHE 99 Cb 0.09 -4.13 -0.04 0.00 -0.34 0.00 0.00 43.02 38.60 2kct s PHE 99 CO 0.53 -2.57 -0.11 0.15 -1.46 0.00 0.00 175.22 171.76 2kct s LYS 100 N 6.12 0.94 -0.43 10.12 1.02 -1.26 -5.00 119.74 131.24 2kct s LYS 100 Ca 0.73 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.19 2kct s LYS 100 Cb -0.17 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 2kct s LYS 100 CO 0.28 0.10 2.18 -2.14 -0.92 0.00 0.00 175.35 174.85 2kct s PRO 101 N -3.05 2.58 0.00 -1.68 0.02 -1.26 -2.09 135.00 129.53 2kct s PRO 101 Ca 0.09 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.51 2kct s PRO 101 Cb -0.02 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.05 2kct s PRO 101 CO 0.01 -2.74 0.00 0.41 -0.33 0.00 0.00 177.00 174.35 2kct n GLY 102 N 5.82 1.05 3.75 0.52 0.00 0.07 -4.86 105.19 111.53 2kct n GLY 102 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 4.03 0.28 1.61 0.11 -0.89 -4.71 120.40 118.83 2kct s VAL 103 Ca 0.00 2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 60.76 2kct s VAL 103 Cb 0.00 -4.27 -0.10 0.00 -1.53 0.00 0.00 36.38 30.48 2kct s VAL 103 CO 0.00 0.46 1.20 -1.61 -3.33 0.00 0.00 175.10 171.82 2kct s GLU 104 N -1.08 4.51 0.06 1.54 2.02 -1.26 -0.89 118.70 123.60 2kct s GLU 104 Ca 0.42 1.97 0.03 0.00 0.02 0.00 0.00 54.97 57.40 2kct s GLU 104 Cb -0.27 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 2kct s GLU 104 CO 0.33 0.01 -0.09 0.14 0.02 0.00 0.00 175.26 175.67 2kct s VAL 105 N -0.90 0.68 -0.32 2.63 -7.23 -0.63 -0.63 120.40 114.01 2kct s VAL 105 Ca 0.48 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2kct s VAL 105 Cb -0.35 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 35.70 2kct s VAL 105 CO 0.44 -0.47 0.05 -0.63 -0.31 0.00 0.00 175.10 174.17 2kct s ILE 106 N -1.89 3.31 0.15 -0.62 1.01 0.27 -2.18 121.20 121.24 2kct s ILE 106 Ca -0.03 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.31 2kct s ILE 106 Cb -0.06 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2kct s ILE 106 CO -0.00 -0.15 0.32 0.27 0.00 0.00 0.00 174.94 175.38 2kct s ILE 107 N 1.31 5.27 -0.18 2.92 -4.36 -0.45 -1.93 121.20 123.79 2kct s ILE 107 Ca -0.04 -0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 59.86 2kct s ILE 107 Cb -0.20 -3.69 0.06 0.00 1.25 0.00 0.00 42.46 39.88 2kct s ILE 107 CO 0.00 -0.04 0.44 -0.70 0.24 0.00 0.00 174.94 174.88 2kct s GLU 108 N -3.00 0.44 0.00 0.37 2.12 -0.86 -1.54 118.70 116.24 2kct s GLU 108 Ca 0.37 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.47 2kct s GLU 108 Cb -0.12 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2kct s GLU 108 CO 0.28 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 2kct n GLY 109 N 3.91 -0.66 3.19 -1.50 0.00 -1.17 -1.01 105.19 107.95 2kct n GLY 109 Ca -0.21 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 1.16 -0.19 -0.02 0.00 -0.12 -0.81 107.32 107.34 2kct s GLY 110 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 2kct s GLY 110 CO 0.00 -0.39 -0.05 -2.27 0.00 0.00 0.00 173.10 170.38 2kct s LEU 111 N 0.13 2.97 0.15 0.66 2.96 -1.26 -1.46 118.68 122.83 2kct s LEU 111 Ca -0.10 -0.30 -0.26 0.00 -0.22 0.00 0.00 54.13 53.25 2kct s LEU 111 Cb -0.15 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 2kct s LEU 111 CO 0.05 0.07 0.81 0.00 -1.32 0.00 0.00 176.35 175.96 2kct s ALA 112 N 0.95 3.40 0.41 5.97 0.00 -1.26 -4.85 121.76 126.38 2kct s ALA 112 Ca -0.00 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.42 2kct s ALA 112 Cb -0.15 -3.02 0.85 0.00 0.00 0.00 0.00 23.12 20.80 2kct s ALA 112 CO 0.01 0.21 2.04 -1.00 0.00 0.00 0.00 175.76 177.02 2kct h PRO 113 N 4.67 0.50 0.00 0.00 0.13 -1.99 -1.57 132.00 133.74 2kct h PRO 113 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kct h PRO 113 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kct h PRO 113 CO 0.68 0.36 -0.10 0.41 -0.23 0.00 0.00 178.00 179.12 2kct n GLY 114 N -1.39 -1.51 3.80 1.56 0.00 -1.26 -4.83 105.19 101.56 2kct n GLY 114 Ca 0.02 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2kct n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kct s GLU 115 N -3.03 3.21 -0.04 1.61 2.56 -0.59 -5.03 118.70 117.39 2kct s GLU 115 Ca 0.12 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 54.82 2kct s GLU 115 Cb 0.17 -2.98 -0.25 0.00 2.00 0.00 0.00 34.13 33.07 2kct s GLU 115 CO 0.58 0.71 0.66 0.22 -0.56 0.00 0.00 175.26 176.87 2kct h ASP 116 N 4.69 0.18 -3.37 -1.70 3.58 -1.88 -3.41 116.42 114.51 2kct h ASP 116 Ca -0.52 -0.35 -0.56 0.00 0.42 0.00 0.00 57.03 56.03 2kct h ASP 116 Cb 1.20 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 2kct h ASP 116 CO 0.59 1.31 0.23 0.28 -2.88 0.00 0.00 179.24 178.77 2kct s THR 117 N -2.60 4.96 -0.19 2.25 -1.32 -1.26 -4.48 115.64 113.00 2kct s THR 117 Ca -0.10 1.69 -0.29 0.00 -1.21 0.00 0.00 61.69 61.79 2kct s THR 117 Cb 0.08 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 2kct s THR 117 CO 0.82 0.19 1.06 0.12 -2.21 0.00 0.00 174.62 174.59 2kct s PHE 118 N 1.07 3.32 -0.72 9.09 5.36 0.65 -4.65 117.98 132.09 2kct s PHE 118 Ca 0.43 1.44 -0.21 0.00 -0.96 0.00 0.00 56.93 57.62 2kct s PHE 118 Cb -0.19 -3.28 0.09 0.00 -0.34 0.00 0.00 43.02 39.30 2kct s PHE 118 CO 0.21 -0.59 0.98 0.21 -1.46 0.00 0.00 175.22 174.56 2kct s LYS 119 N 2.97 3.23 -0.05 10.12 2.20 -0.54 -0.97 119.74 136.71 2kct s LYS 119 Ca 0.46 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 2kct s LYS 119 Cb -0.17 -4.43 -0.04 0.00 -1.51 0.00 0.00 37.83 31.69 2kct s LYS 119 CO 0.10 -1.77 1.22 0.00 -0.36 0.00 0.00 175.35 174.54 2kct s ALA 120 N 3.51 3.50 0.05 3.13 0.00 -0.59 -0.95 121.76 130.41 2kct s ALA 120 Ca 0.24 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2kct s ALA 120 Cb -0.15 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.14 2kct s ALA 120 CO 0.04 -0.77 1.07 -0.09 0.00 0.00 0.00 175.76 176.01 2kct h ARG 121 N 7.48 0.46 -4.37 0.00 2.43 -1.39 -3.09 114.38 115.91 2kct h ARG 121 Ca -0.35 -0.75 -0.42 0.00 -0.81 0.00 0.00 59.98 57.66 2kct h ARG 121 Cb 1.16 0.27 -0.32 0.00 -0.42 0.00 0.00 29.97 30.67 2kct h ARG 121 CO 0.88 1.35 -0.78 0.95 -1.51 0.00 0.00 179.97 180.86 2kct s THR 122 N -2.69 0.69 -0.28 0.20 -4.23 -0.20 -4.86 115.64 104.26 2kct s THR 122 Ca -0.07 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2kct s THR 122 Cb 0.05 -0.64 0.06 0.00 1.34 0.00 0.00 72.50 73.31 2kct s THR 122 CO 0.92 0.23 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.97 2kct s LEU 123 N 0.43 3.76 -0.22 4.79 2.96 -1.26 -2.03 118.68 127.10 2kct s LEU 123 Ca -0.06 -1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 52.33 2kct s LEU 123 Cb -0.10 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2kct s LEU 123 CO 0.01 -0.24 0.11 -0.32 -1.32 0.00 0.00 176.35 174.58 2kct s MET 124 N 1.14 3.93 -0.16 1.98 -2.45 -0.81 -4.85 119.30 118.08 2kct s MET 124 Ca -0.06 -0.35 -0.27 0.00 -1.25 0.00 0.00 55.69 53.76 2kct s MET 124 Cb -0.20 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.49 2kct s MET 124 CO -0.04 0.06 0.92 0.95 1.05 0.00 0.00 175.02 177.97 2kct s THR 125 N 1.00 4.81 0.14 10.11 -4.23 -1.26 -0.57 115.64 125.64 2kct s THR 125 Ca 0.05 1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 62.28 2kct s THR 125 Cb -0.14 -4.22 -0.04 0.00 1.34 0.00 0.00 72.50 69.44 2kct s THR 125 CO 0.03 -0.02 1.48 0.50 -0.54 0.00 0.00 174.62 176.08 2kct h LYS 126 N 7.29 0.92 -6.09 3.99 3.11 -1.18 -3.39 116.57 121.21 2kct h LYS 126 Ca -0.28 -0.46 -0.59 0.00 -2.81 0.00 0.00 60.65 56.51 2kct h LYS 126 Cb 1.12 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.28 2kct h LYS 126 CO 0.87 1.12 0.65 0.00 -2.81 0.00 0.00 179.45 179.28 2kct s PRO 128 N 3.40 1.70 0.77 0.00 0.04 -1.26 -4.96 135.00 134.69 2kct s PRO 128 Ca 0.40 -0.49 -0.11 0.00 0.04 0.00 0.00 61.00 60.83 2kct s PRO 128 Cb -0.13 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2kct s PRO 128 CO 0.15 -1.57 1.08 -1.17 0.04 0.00 0.00 177.00 175.53 2kct s LEU 129 N -5.38 2.87 0.00 -3.56 2.96 -1.26 -5.09 118.68 109.22 2kct s LEU 129 Ca 0.65 1.62 0.30 0.00 -0.22 0.00 0.00 54.13 56.48 2kct s LEU 129 Cb -0.08 -4.32 1.40 0.00 0.50 0.00 0.00 46.19 43.69 2kct s LEU 129 CO 0.47 -1.93 1.94 -1.84 -1.32 0.00 0.00 176.35 173.67