#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 -0.82 0.10 3.17 0.00 -1.26 -5.15 121.76 117.80 2kct s ALA 44 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 2kct s ALA 44 Cb 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 2kct s ALA 44 CO 0.00 -0.98 1.19 0.95 0.00 0.00 0.00 175.76 176.92 2kct s THR 45 N -3.62 3.90 0.70 0.00 -4.23 -1.26 -5.02 115.64 106.11 2kct s THR 45 Ca 0.15 1.44 -0.17 0.00 -1.18 0.00 0.00 61.69 61.93 2kct s THR 45 Cb -0.04 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 69.89 2kct s THR 45 CO 0.09 0.15 1.21 -2.65 -0.54 0.00 0.00 174.62 172.89 2kct n PRO 46 N 3.44 0.78 -1.24 3.99 -0.02 -1.26 -5.01 135.00 135.69 2kct n PRO 46 Ca 0.07 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 2kct n PRO 46 Cb 0.46 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2kct n PRO 46 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2kct s GLN 47 N -3.53 2.18 0.69 -0.52 -2.07 -1.26 -5.04 119.66 110.11 2kct s GLN 47 Ca 0.79 1.21 -0.11 0.00 -1.82 0.00 0.00 55.36 55.43 2kct s GLN 47 Cb -0.35 -1.88 0.00 0.00 -1.09 0.00 0.00 33.01 29.68 2kct s GLN 47 CO 0.44 -1.71 1.06 0.16 -1.32 0.00 0.00 175.29 173.92 2kct s ASP 48 N -3.29 5.52 -0.03 12.60 -4.77 -1.26 -5.00 116.67 120.44 2kct s ASP 48 Ca 0.62 1.46 0.15 0.00 -3.30 0.00 0.00 52.55 51.48 2kct s ASP 48 Cb -0.18 -2.36 0.47 0.00 -1.09 0.00 0.00 42.92 39.76 2kct s ASP 48 CO 0.55 -1.34 1.39 0.29 0.70 0.00 0.00 175.17 176.77 2kct n LYS 49 N -3.05 2.95 0.10 2.11 4.76 -1.26 -4.12 118.16 119.65 2kct n LYS 49 Ca 0.07 -2.38 -0.15 0.00 -2.87 0.00 0.00 58.31 52.98 2kct n LYS 49 Cb 0.54 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 2kct n LYS 49 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2kct h LEU 50 N 2.86 0.39 -6.11 -0.35 3.38 -2.02 -3.31 115.31 110.14 2kct h LEU 50 Ca 0.00 -0.41 -0.73 0.00 0.09 0.00 0.00 57.88 56.83 2kct h LEU 50 Cb 0.95 -0.13 -0.33 0.00 0.09 0.00 0.00 40.66 41.25 2kct h LEU 50 CO 0.05 1.31 0.40 1.41 0.09 0.00 0.00 178.44 181.70 2kct n HIS 51 N -3.53 3.10 -0.11 1.13 8.25 -1.26 -5.04 115.22 117.77 2kct n HIS 51 Ca -0.08 -3.09 0.00 0.00 -0.26 0.00 0.00 57.72 54.29 2kct n HIS 51 Cb 1.01 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2kct n HIS 51 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2kct n THR 52 N 0.22 0.00 -3.44 1.59 5.66 -1.25 -4.88 114.28 112.18 2kct n THR 52 Ca 0.37 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.98 2kct n THR 52 Cb 0.32 -1.80 -0.10 0.00 -1.55 0.00 0.00 70.33 67.21 2kct n THR 52 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2kct s VAL 53 N 0.11 5.21 -0.04 1.08 1.01 -0.73 -4.95 120.40 122.10 2kct s VAL 53 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2kct s VAL 53 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2kct s VAL 53 CO 0.00 0.12 -0.25 -0.60 0.00 0.00 0.00 175.10 174.37 2kct s ARG 54 N 1.98 2.29 -0.00 2.72 3.52 -1.26 -1.30 118.95 126.89 2kct s ARG 54 Ca 0.12 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 2kct s ARG 54 Cb -0.16 -2.08 -0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2kct s ARG 54 CO 0.11 0.48 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.88 2kct s LEU 55 N -0.42 2.02 -0.12 -0.88 0.20 -0.57 -5.02 118.68 113.90 2kct s LEU 55 Ca 0.04 -0.08 -0.02 0.00 0.69 0.00 0.00 54.13 54.77 2kct s LEU 55 Cb -0.12 -0.15 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 2kct s LEU 55 CO 0.01 0.02 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.68 2kct s PHE 56 N -0.13 2.99 0.23 5.38 0.40 -1.26 -1.72 117.98 123.86 2kct s PHE 56 Ca 0.01 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 55.94 2kct s PHE 56 Cb -0.02 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.73 2kct s PHE 56 CO -0.00 0.11 0.96 0.20 0.70 0.00 0.00 175.22 177.19 2kct s GLY 57 N -0.12 0.12 -0.05 4.36 0.00 -1.00 -3.95 107.32 106.68 2kct s GLY 57 Ca 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.40 2kct s GLY 57 CO 0.03 1.38 -0.13 -1.59 0.00 0.00 0.00 173.10 172.79 2kct s THR 58 N -2.40 3.19 0.11 0.90 2.01 -0.75 -0.85 115.64 117.85 2kct s THR 58 Ca 0.19 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2kct s THR 58 Cb -0.03 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 2kct s THR 58 CO 0.06 0.58 1.16 -0.69 -0.69 0.00 0.00 174.62 175.05 2kct s VAL 59 N -0.76 3.96 0.22 3.82 1.01 -0.29 -0.13 120.40 128.23 2kct s VAL 59 Ca 0.12 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 2kct s VAL 59 Cb -0.11 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2kct s VAL 59 CO 0.01 0.17 1.07 0.00 0.00 0.00 0.00 175.10 176.35 2kct s ALA 60 N 0.56 3.37 -1.97 5.51 0.00 -0.54 -1.71 121.76 126.98 2kct s ALA 60 Ca 0.55 0.80 0.25 0.00 0.00 0.00 0.00 51.96 53.56 2kct s ALA 60 Cb -0.29 -3.32 1.47 0.00 0.00 0.00 0.00 23.12 20.98 2kct s ALA 60 CO 0.32 -0.13 1.84 0.00 0.00 0.00 0.00 175.76 177.80 2kct n ALA 61 N 1.89 2.41 -3.84 0.00 0.00 -1.26 -4.36 120.51 115.35 2kct n ALA 61 Ca 0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 2kct n ALA 61 Cb 0.46 -1.40 -0.17 0.00 0.00 0.00 0.00 19.45 18.33 2kct n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kct s ASP 62 N -2.03 1.96 0.00 0.00 2.15 -1.26 -4.75 116.67 112.74 2kct s ASP 62 Ca 0.37 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2kct s ASP 62 Cb 0.17 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 42.07 2kct s ASP 62 CO 0.29 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 2kct n GLY 63 N 4.92 1.01 3.58 2.66 0.00 -1.26 -4.65 105.19 111.45 2kct n GLY 63 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 3.43 -0.04 0.99 0.20 -1.26 -3.93 118.68 118.07 2kct s LEU 64 Ca 0.00 0.53 -0.01 0.00 0.69 0.00 0.00 54.13 55.34 2kct s LEU 64 Cb 0.00 -3.11 0.03 0.00 -0.43 0.00 0.00 46.19 42.68 2kct s LEU 64 CO 0.00 -1.78 0.02 -0.89 -0.29 0.00 0.00 176.35 173.42 2kct s THR 65 N 6.57 0.07 0.34 3.68 2.01 -0.13 -5.01 115.64 123.17 2kct s THR 65 Ca 0.60 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.85 2kct s THR 65 Cb -0.13 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2kct s THR 65 CO 0.27 0.16 0.51 -0.04 -0.69 0.00 0.00 174.62 174.82 2kct s MET 66 N 1.47 3.30 0.09 4.92 -1.94 -1.26 -1.27 119.30 124.60 2kct s MET 66 Ca -0.04 -0.64 -0.27 0.00 -1.71 0.00 0.00 55.69 53.04 2kct s MET 66 Cb -0.13 -2.74 -0.06 0.00 2.01 0.00 0.00 34.83 33.92 2kct s MET 66 CO -0.03 0.11 0.85 -0.51 -0.01 0.00 0.00 175.02 175.43 2kct s LEU 67 N -4.25 4.49 -0.35 -0.03 1.43 -1.02 -4.87 118.68 114.07 2kct s LEU 67 Ca 0.41 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 2kct s LEU 67 Cb -0.09 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2kct s LEU 67 CO 0.33 0.00 1.45 -1.81 0.23 0.00 0.00 176.35 176.55 2kct s ASP 68 N -0.14 6.38 0.00 2.29 1.01 -1.26 -4.07 116.67 120.87 2kct s ASP 68 Ca 0.42 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.74 2kct s ASP 68 Cb -0.22 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2kct s ASP 68 CO 0.26 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.90 2kct n GLY 69 N 4.88 1.77 3.71 0.21 0.00 -1.26 -4.96 105.19 109.54 2kct n GLY 69 Ca 0.17 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.75 -0.16 4.61 0.00 -1.26 -4.96 121.76 123.75 2kct s ALA 70 Ca 0.00 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 2kct s ALA 70 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2kct s ALA 70 CO 0.00 -0.83 2.02 -2.14 0.00 0.00 0.00 175.76 174.82 2kct s PRO 71 N 1.40 3.52 0.00 0.00 0.02 -1.26 -4.41 135.00 134.26 2kct s PRO 71 Ca 0.70 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2kct s PRO 71 Cb -0.43 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 29.84 2kct s PRO 71 CO 0.31 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 2kct n GLY 72 N 5.24 0.20 3.40 0.52 0.00 -1.07 -1.04 105.19 112.44 2kct n GLY 72 Ca 0.25 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 -0.01 -0.05 1.61 0.11 0.08 -2.45 120.40 117.69 2kct s VAL 73 Ca 0.00 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2kct s VAL 73 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2kct s VAL 73 CO 0.00 0.02 0.12 -0.60 -3.33 0.00 0.00 175.10 171.31 2kct s ARG 74 N 1.28 3.29 0.18 1.54 3.52 -0.39 -0.96 118.95 127.41 2kct s ARG 74 Ca -0.08 -0.32 -0.19 0.00 -0.13 0.00 0.00 55.73 55.02 2kct s ARG 74 Cb -0.07 -3.03 0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2kct s ARG 74 CO -0.12 0.70 0.54 -0.59 -0.81 0.00 0.00 175.30 175.01 2kct s PHE 75 N -1.15 -0.23 -0.47 5.12 -0.71 -0.85 -0.96 117.98 118.73 2kct s PHE 75 Ca 0.21 -0.09 -0.16 0.00 -1.04 0.00 0.00 56.93 55.85 2kct s PHE 75 Cb -0.12 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 42.18 2kct s PHE 75 CO 0.11 -0.89 0.44 0.50 -1.34 0.00 0.00 175.22 174.03 2kct s ARG 76 N -3.84 3.01 -0.30 1.99 3.52 -1.25 -0.88 118.95 121.21 2kct s ARG 76 Ca 0.07 -1.19 -0.26 0.00 -0.13 0.00 0.00 55.73 54.22 2kct s ARG 76 Cb -0.01 -4.10 0.01 0.00 -1.56 0.00 0.00 34.95 29.28 2kct s ARG 76 CO -0.06 -1.03 0.90 -1.17 -0.81 0.00 0.00 175.30 173.13 2kct s LEU 77 N 1.87 4.04 -0.93 -0.88 2.96 -0.08 -1.47 118.68 124.19 2kct s LEU 77 Ca 0.07 0.88 -0.24 0.00 -0.22 0.00 0.00 54.13 54.62 2kct s LEU 77 Cb -0.22 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2kct s LEU 77 CO 0.08 -0.69 1.86 -1.61 -1.32 0.00 0.00 176.35 174.67 2kct s GLU 78 N 3.18 2.74 0.20 1.98 0.41 0.81 -2.16 118.70 125.86 2kct s GLU 78 Ca 0.38 -0.46 -0.31 0.00 -0.41 0.00 0.00 54.97 54.16 2kct s GLU 78 Cb -0.14 -5.12 -0.11 0.00 -1.78 0.00 0.00 34.13 26.98 2kct s GLU 78 CO 0.12 -3.18 1.62 0.34 -0.49 0.00 0.00 175.26 173.67 2kct s ASP 79 N 7.44 6.49 0.14 -0.19 2.15 -1.26 -1.82 116.67 129.63 2kct s ASP 79 Ca 0.66 2.76 -0.08 0.00 0.43 0.00 0.00 52.55 56.32 2kct s ASP 79 Cb -0.05 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 2kct s ASP 79 CO -0.02 -0.88 1.40 0.50 -0.17 0.00 0.00 175.17 176.00 2kct h LYS 80 N 6.42 0.66 -0.21 4.34 1.63 -1.93 -2.14 116.57 125.34 2kct h LYS 80 Ca -0.44 -0.49 -0.08 0.00 -0.85 0.00 0.00 60.65 58.79 2kct h LYS 80 Cb 1.21 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2kct h LYS 80 CO 0.91 1.11 -0.18 -0.44 -3.45 0.00 0.00 179.45 177.40 2kct h ASP 81 N 0.48 0.52 -2.73 4.20 5.19 -1.92 -3.40 116.42 118.76 2kct h ASP 81 Ca -0.02 -0.46 -0.59 0.00 -0.62 0.00 0.00 57.03 55.34 2kct h ASP 81 Cb 1.27 -0.15 -0.39 0.00 0.18 0.00 0.00 39.33 40.24 2kct h ASP 81 CO 0.13 0.87 -0.83 0.21 -3.12 0.00 0.00 179.24 176.50 2kct s ASN 82 N -6.26 3.07 0.40 6.45 3.84 -1.23 -4.97 114.94 116.24 2kct s ASN 82 Ca -0.13 -2.25 0.26 0.00 0.21 0.00 0.00 52.86 50.94 2kct s ASN 82 Cb 0.07 -0.49 0.68 0.00 -0.55 0.00 0.00 41.25 40.96 2kct s ASN 82 CO 0.78 -0.30 1.72 0.00 -2.79 0.00 0.00 177.10 176.51 2kct h THR 83 N 5.06 0.00 0.00 -5.21 1.03 -1.60 -2.89 112.91 109.30 2kct h THR 83 Ca 0.05 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 2kct h THR 83 Cb 0.96 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.76 2kct h THR 83 CO 0.30 0.00 0.00 -1.28 -0.01 0.00 0.00 175.52 174.53 2kct h SER 84 N 0.00 0.00 -3.21 0.00 0.87 -1.93 -3.36 113.55 105.92 2kct h SER 84 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2kct h SER 84 Cb 0.80 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.37 2kct h SER 84 CO 0.00 0.00 -0.77 -0.54 -0.53 0.00 0.00 176.83 174.99 2kct s LYS 85 N -3.67 1.15 0.44 2.24 -0.14 -1.09 -5.13 119.74 113.54 2kct s LYS 85 Ca 0.01 -1.93 -0.19 0.00 -1.36 0.00 0.00 55.97 52.50 2kct s LYS 85 Cb 0.09 -2.10 -0.10 0.00 -1.68 0.00 0.00 37.83 34.05 2kct s LYS 85 CO 0.49 -1.19 0.93 0.95 -0.76 0.00 0.00 175.35 175.76 2kct s THR 86 N 0.41 4.47 -0.18 2.17 -4.23 -1.26 -4.70 115.64 112.31 2kct s THR 86 Ca 0.19 1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 61.96 2kct s THR 86 Cb -0.21 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2kct s THR 86 CO -0.02 -0.41 0.06 -0.69 -0.54 0.00 0.00 174.62 173.02 2kct s VAL 87 N -2.29 4.72 -0.70 2.29 1.01 -0.92 -4.93 120.40 119.58 2kct s VAL 87 Ca 0.60 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.25 2kct s VAL 87 Cb -0.09 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2kct s VAL 87 CO 0.19 0.45 1.34 0.26 0.00 0.00 0.00 175.10 177.34 2kct s TRP 88 N 0.44 2.24 -0.45 5.22 0.52 -1.25 -0.90 118.94 124.76 2kct s TRP 88 Ca 0.03 0.10 -0.24 0.00 0.02 0.00 0.00 56.10 56.01 2kct s TRP 88 Cb -0.13 -4.55 0.03 0.00 -1.15 0.00 0.00 33.47 27.67 2kct s TRP 88 CO 0.01 -2.06 0.84 0.08 0.02 0.00 0.00 176.95 175.84 2kct s VAL 89 N 6.04 4.58 -0.79 4.03 1.01 -0.06 -0.58 120.40 134.64 2kct s VAL 89 Ca 0.40 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 2kct s VAL 89 Cb -0.09 -4.36 0.14 0.00 0.00 0.00 0.00 36.38 32.07 2kct s VAL 89 CO 0.17 -0.76 0.91 -0.22 0.00 0.00 0.00 175.10 175.21 2kct s LEU 90 N 3.46 5.46 -0.41 3.92 2.96 -0.01 -2.01 118.68 132.06 2kct s LEU 90 Ca 0.33 -1.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.12 2kct s LEU 90 Cb -0.11 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2kct s LEU 90 CO 0.24 -1.01 0.58 -0.47 -1.32 0.00 0.00 176.35 174.37 2kct s TYR 91 N 2.26 3.12 -0.30 5.38 5.04 -0.13 -1.62 117.35 131.09 2kct s TYR 91 Ca 0.22 -0.02 -0.09 0.00 -2.44 0.00 0.00 57.07 54.75 2kct s TYR 91 Cb -0.13 -3.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 2kct s TYR 91 CO -0.03 -0.75 0.13 0.15 -1.34 0.00 0.00 175.55 173.71 2kct s LYS 92 N 2.60 3.34 0.00 4.97 1.02 -1.24 -0.74 119.74 129.68 2kct s LYS 92 Ca 0.20 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2kct s LYS 92 Cb -0.15 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2kct s LYS 92 CO 0.16 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2kct n GLY 93 N 4.95 -1.18 3.62 -3.33 0.00 -0.20 -4.91 105.19 104.13 2kct n GLY 93 Ca -0.14 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.36 3.06 -0.08 4.61 0.00 -1.26 -2.61 121.76 124.13 2kct s ALA 94 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2kct s ALA 94 Cb 0.00 -3.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 2kct s ALA 94 CO 0.00 -2.30 1.01 0.08 0.00 0.00 0.00 175.76 174.55 2kct s VAL 95 N 6.28 4.78 0.43 0.00 1.01 -1.26 -5.01 120.40 126.63 2kct s VAL 95 Ca 0.81 2.03 -0.25 0.00 0.00 0.00 0.00 61.98 64.57 2kct s VAL 95 Cb -0.27 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 2kct s VAL 95 CO 0.33 0.04 1.29 -0.81 0.00 0.00 0.00 175.10 175.95 2kct n PRO 96 N 4.79 1.95 0.25 2.72 -0.04 -1.26 -4.91 135.00 138.49 2kct n PRO 96 Ca 0.08 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 2kct n PRO 96 Cb 0.49 -2.43 0.63 0.00 -0.04 0.00 0.00 33.50 32.15 2kct n PRO 96 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kct h ASP 97 N 2.06 0.00 0.61 3.54 3.58 -2.00 -2.16 116.42 122.04 2kct h ASP 97 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kct h ASP 97 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2kct h ASP 97 CO 0.60 0.17 0.00 0.35 -2.88 0.00 0.00 179.24 177.48 2kct n THR 98 N -3.71 0.12 -2.05 2.25 -2.24 -1.26 -4.73 114.28 102.66 2kct n THR 98 Ca -0.02 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 2kct n THR 98 Cb 0.28 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 2kct n THR 98 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kct s PHE 99 N -2.67 1.73 0.22 4.78 5.36 -0.81 -4.55 117.98 122.04 2kct s PHE 99 Ca 0.23 0.70 0.08 0.00 -0.96 0.00 0.00 56.93 56.98 2kct s PHE 99 Cb 0.18 -4.08 -0.04 0.00 -0.34 0.00 0.00 43.02 38.74 2kct s PHE 99 CO 0.43 -2.08 0.04 -1.59 -1.46 0.00 0.00 175.22 170.56 2kct s LYS 100 N 7.00 2.47 -0.26 10.12 -2.85 -1.26 -5.02 119.74 129.94 2kct s LYS 100 Ca 0.68 -1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 54.16 2kct s LYS 100 Cb -0.10 -2.34 -0.02 0.00 -2.06 0.00 0.00 37.83 33.31 2kct s LYS 100 CO 0.12 0.42 1.72 -2.14 0.10 0.00 0.00 175.35 175.56 2kct s PRO 101 N -3.35 3.59 0.00 1.78 0.02 -1.26 -3.05 135.00 132.72 2kct s PRO 101 Ca 0.30 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2kct s PRO 101 Cb -0.08 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.32 2kct s PRO 101 CO 0.20 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 2kct n GLY 102 N 5.02 0.95 3.80 0.52 0.00 -0.69 -4.79 105.19 110.00 2kct n GLY 102 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 4.51 -0.40 1.61 0.11 -1.17 -4.65 120.40 118.42 2kct s VAL 103 Ca 0.00 1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 60.21 2kct s VAL 103 Cb 0.00 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 2kct s VAL 103 CO 0.00 0.40 1.44 -1.61 -3.33 0.00 0.00 175.10 172.00 2kct s GLU 104 N -1.49 3.57 0.04 1.54 2.02 -1.26 -1.13 118.70 121.99 2kct s GLU 104 Ca 0.38 1.00 0.01 0.00 0.02 0.00 0.00 54.97 56.38 2kct s GLU 104 Cb -0.20 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 2kct s GLU 104 CO 0.23 -1.57 0.09 0.14 0.02 0.00 0.00 175.26 174.17 2kct s VAL 105 N 5.50 4.67 -0.37 2.63 -7.23 -0.03 -0.74 120.40 124.84 2kct s VAL 105 Ca 0.63 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 60.14 2kct s VAL 105 Cb -0.15 -3.20 0.06 0.00 0.56 0.00 0.00 36.38 33.65 2kct s VAL 105 CO 0.32 0.22 0.16 -0.63 -0.31 0.00 0.00 175.10 174.86 2kct s ILE 106 N -1.31 3.79 -0.01 -0.62 1.01 -0.12 -2.38 121.20 121.56 2kct s ILE 106 Ca 0.27 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 2kct s ILE 106 Cb -0.12 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2kct s ILE 106 CO 0.19 -0.34 0.24 0.27 0.00 0.00 0.00 174.94 175.31 2kct s ILE 107 N 1.36 5.34 -0.07 2.92 -4.36 -0.70 -2.25 121.20 123.44 2kct s ILE 107 Ca 0.01 0.12 -0.06 0.00 -0.26 0.00 0.00 60.65 60.46 2kct s ILE 107 Cb -0.21 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 39.97 2kct s ILE 107 CO 0.01 0.38 0.19 -0.70 0.24 0.00 0.00 174.94 175.07 2kct s GLU 108 N -1.72 0.22 0.00 0.37 2.12 -1.16 -1.51 118.70 117.02 2kct s GLU 108 Ca 0.26 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2kct s GLU 108 Cb -0.13 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2kct s GLU 108 CO 0.15 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2kct n GLY 109 N 3.11 -0.43 3.63 -1.50 0.00 -0.42 -0.11 105.19 109.48 2kct n GLY 109 Ca -0.14 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 -0.09 -0.02 0.00 -0.45 -1.76 107.32 104.94 2kct s GLY 110 Ca 0.00 2.77 -0.22 0.00 0.00 0.00 0.00 44.72 47.27 2kct s GLY 110 CO 0.00 1.73 0.66 -2.27 0.00 0.00 0.00 173.10 173.22 2kct s LEU 111 N -0.02 4.29 0.05 0.66 2.96 -1.26 -1.01 118.68 124.34 2kct s LEU 111 Ca 0.04 1.09 -0.28 0.00 -0.22 0.00 0.00 54.13 54.75 2kct s LEU 111 Cb -0.04 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 2kct s LEU 111 CO -0.07 -0.12 0.90 0.00 -1.32 0.00 0.00 176.35 175.74 2kct s ALA 112 N 0.92 3.25 0.33 5.97 0.00 -1.26 -4.96 121.76 126.02 2kct s ALA 112 Ca 0.35 0.46 0.37 0.00 0.00 0.00 0.00 51.96 53.15 2kct s ALA 112 Cb -0.17 -3.21 1.92 0.00 0.00 0.00 0.00 23.12 21.66 2kct s ALA 112 CO 0.16 -0.08 2.13 -1.00 0.00 0.00 0.00 175.76 176.98 2kct h PRO 113 N 6.08 0.00 0.01 0.00 0.13 -1.97 -1.90 132.00 134.35 2kct h PRO 113 Ca -0.42 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 2kct h PRO 113 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2kct h PRO 113 CO 0.73 0.00 -2.23 0.41 -0.23 0.00 0.00 178.00 176.68 2kct n GLY 114 N -0.82 -0.89 3.81 1.56 0.00 -1.26 -4.99 105.19 102.61 2kct n GLY 114 Ca -0.02 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.52 3.96 0.43 1.61 8.01 -0.71 -4.98 118.70 124.49 2kct s GLU 115 Ca -0.13 0.30 0.20 0.00 0.01 0.00 0.00 54.97 55.35 2kct s GLU 115 Cb 0.07 -3.27 0.96 0.00 -4.31 0.00 0.00 34.13 27.58 2kct s GLU 115 CO 0.79 0.57 1.88 -0.44 0.01 0.00 0.00 175.26 178.07 2kct h ASP 116 N 5.28 0.00 -3.38 -0.19 5.19 -1.94 -3.38 116.42 118.00 2kct h ASP 116 Ca -0.49 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.37 2kct h ASP 116 Cb 1.21 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2kct h ASP 116 CO 0.65 0.28 0.18 0.42 -3.12 0.00 0.00 179.24 177.65 2kct s THR 117 N -3.99 4.99 -0.19 0.35 -4.23 -1.26 -3.82 115.64 107.49 2kct s THR 117 Ca -0.02 1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 61.85 2kct s THR 117 Cb 0.13 -4.13 -0.00 0.00 1.34 0.00 0.00 72.50 69.83 2kct s THR 117 CO 0.66 0.22 1.14 0.12 -0.54 0.00 0.00 174.62 176.22 2kct s PHE 118 N 0.86 3.13 -0.84 3.99 2.19 0.25 -4.01 117.98 123.55 2kct s PHE 118 Ca 0.42 1.27 -0.25 0.00 0.33 0.00 0.00 56.93 58.70 2kct s PHE 118 Cb -0.19 -3.37 0.01 0.00 -1.31 0.00 0.00 43.02 38.16 2kct s PHE 118 CO 0.21 -1.03 1.59 0.21 1.83 0.00 0.00 175.22 178.04 2kct s LYS 119 N 3.24 3.06 -0.47 10.12 2.20 -0.18 -0.83 119.74 136.88 2kct s LYS 119 Ca 0.49 -0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.50 2kct s LYS 119 Cb -0.18 -4.78 0.03 0.00 -1.51 0.00 0.00 37.83 31.39 2kct s LYS 119 CO 0.11 -2.55 0.93 0.00 -0.36 0.00 0.00 175.35 173.47 2kct s ALA 120 N 7.12 3.23 0.19 3.13 0.00 -0.64 -1.34 121.76 133.44 2kct s ALA 120 Ca 0.52 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 2kct s ALA 120 Cb -0.06 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.51 2kct s ALA 120 CO 0.05 -2.10 1.77 -0.09 0.00 0.00 0.00 175.76 175.40 2kct h ARG 121 N 9.11 0.95 -4.78 0.00 9.65 -0.84 -3.29 114.38 125.17 2kct h ARG 121 Ca -0.24 -0.14 -0.27 0.00 -1.10 0.00 0.00 59.98 58.23 2kct h ARG 121 Cb 1.08 -0.17 -0.15 0.00 -1.39 0.00 0.00 29.97 29.34 2kct h ARG 121 CO 1.03 0.75 -0.68 0.95 2.80 0.00 0.00 179.97 184.82 2kct s THR 122 N -5.71 0.74 -0.23 0.20 -4.23 -0.85 -4.91 115.64 100.65 2kct s THR 122 Ca -0.13 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 2kct s THR 122 Cb 0.14 -1.93 0.12 0.00 1.34 0.00 0.00 72.50 72.17 2kct s THR 122 CO 0.79 -0.65 0.36 -0.22 -0.54 0.00 0.00 174.62 174.37 2kct s LEU 123 N -3.13 -0.57 -0.18 4.79 2.96 -1.26 -2.98 118.68 118.31 2kct s LEU 123 Ca 0.19 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 2kct s LEU 123 Cb 0.05 1.05 0.04 0.00 0.50 0.00 0.00 46.19 47.83 2kct s LEU 123 CO 0.00 -0.29 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.31 2kct s MET 124 N 2.53 2.09 0.50 1.98 -2.45 -0.95 -4.81 119.30 118.18 2kct s MET 124 Ca 0.10 -0.76 -0.20 0.00 -1.25 0.00 0.00 55.69 53.59 2kct s MET 124 Cb -0.15 -2.32 -0.08 0.00 1.25 0.00 0.00 34.83 33.53 2kct s MET 124 CO -0.15 -0.38 1.05 0.95 1.05 0.00 0.00 175.02 177.55 2kct s THR 125 N 1.43 3.69 -0.09 10.11 -4.23 -1.26 -0.95 115.64 124.33 2kct s THR 125 Ca 0.00 1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 61.49 2kct s THR 125 Cb -0.15 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 2kct s THR 125 CO -0.09 -0.24 -0.12 1.17 -0.54 0.00 0.00 174.62 174.80 2kct n LYS 126 N -1.08 0.28 -2.20 3.99 4.81 0.08 -4.87 118.16 119.16 2kct n LYS 126 Ca 0.10 0.40 -0.43 0.00 -0.87 0.00 0.00 58.31 57.51 2kct n LYS 126 Cb 0.52 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 34.23 2kct n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kct s PRO 128 N 4.62 4.38 -0.14 0.00 0.02 -1.26 -4.97 135.00 137.65 2kct s PRO 128 Ca 0.67 2.09 -0.06 0.00 0.02 0.00 0.00 61.00 63.72 2kct s PRO 128 Cb -0.22 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 2kct s PRO 128 CO 0.28 -0.25 0.08 -1.17 -0.33 0.00 0.00 177.00 175.61 2kct s LEU 129 N -0.37 3.98 0.00 -5.54 2.96 -1.26 -5.14 118.68 113.31 2kct s LEU 129 Ca 0.56 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2kct s LEU 129 Cb -0.37 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.34 2kct s LEU 129 CO 0.40 0.30 0.00 -1.84 -1.32 0.00 0.00 176.35 173.89