#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 0.00 -2.87 3.04 0.00 -1.26 -3.63 120.51 115.79 2kct n ALA 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2kct n ALA 44 Cb 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.38 2kct n ALA 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kct n THR 45 N -2.12 -9.94 -1.70 0.00 -1.04 -1.26 -4.79 114.28 93.42 2kct n THR 45 Ca 0.00 1.31 -0.59 0.00 -2.04 0.00 0.00 64.05 62.73 2kct n THR 45 Cb 0.27 -6.29 -0.08 0.00 -1.82 0.00 0.00 70.33 62.41 2kct n THR 45 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2kct n PRO 46 N 0.46 0.96 -2.41 -2.82 -0.02 -1.24 -4.86 135.00 125.07 2kct n PRO 46 Ca 0.03 0.35 -0.01 0.00 -2.02 0.00 0.00 63.50 61.85 2kct n PRO 46 Cb 0.24 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2kct n PRO 46 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kct n GLN 47 N 5.34 1.19 -1.69 -0.52 7.27 -1.26 -5.15 117.38 122.57 2kct n GLN 47 Ca 0.28 -2.23 -0.42 0.00 0.07 0.00 0.00 57.00 54.71 2kct n GLN 47 Cb 0.10 -0.45 0.00 0.00 2.41 0.00 0.00 30.24 32.30 2kct n GLN 47 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2kct n ASP 48 N -0.74 2.52 0.03 1.69 2.03 -1.26 -4.95 116.55 115.87 2kct n ASP 48 Ca -0.06 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2kct n ASP 48 Cb 0.86 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 2kct n ASP 48 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kct h LYS 49 N 2.29 0.00 -0.48 -0.67 1.79 -1.99 -3.25 116.57 114.25 2kct h LYS 49 Ca -0.46 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.90 2kct h LYS 49 Cb 1.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 2kct h LYS 49 CO 0.61 0.29 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.06 2kct h LEU 50 N 0.00 0.90 -3.39 2.94 3.38 -2.03 -3.11 115.31 114.01 2kct h LEU 50 Ca -0.16 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2kct h LEU 50 Cb 1.57 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 2kct h LEU 50 CO 0.05 1.04 0.04 0.00 0.09 0.00 0.00 178.44 179.65 2kct n HIS 51 N -4.14 1.31 -1.76 1.13 1.44 -1.26 -5.01 115.22 106.93 2kct n HIS 51 Ca 0.01 -1.10 -0.41 0.00 -2.01 0.00 0.00 57.72 54.21 2kct n HIS 51 Cb 0.40 -0.44 -0.00 0.00 0.12 0.00 0.00 29.99 30.07 2kct n HIS 51 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2kct n THR 52 N -0.55 1.99 -3.38 0.61 -1.04 -1.18 -4.96 114.28 105.78 2kct n THR 52 Ca 0.28 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.36 2kct n THR 52 Cb 1.03 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.57 2kct n THR 52 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kct s VAL 53 N -1.10 5.17 -0.40 12.58 1.01 -0.58 -4.90 120.40 132.18 2kct s VAL 53 Ca 0.54 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 2kct s VAL 53 Cb -0.50 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 31.86 2kct s VAL 53 CO 0.63 -0.46 0.28 -0.60 0.00 0.00 0.00 175.10 174.95 2kct s ARG 54 N 1.87 2.93 -0.07 2.72 3.52 -1.26 -2.03 118.95 126.62 2kct s ARG 54 Ca 0.07 -1.05 0.03 0.00 -0.13 0.00 0.00 55.73 54.66 2kct s ARG 54 Cb -0.20 -3.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.25 2kct s ARG 54 CO 0.10 -0.75 -0.16 -1.17 -0.81 0.00 0.00 175.30 172.52 2kct s LEU 55 N 1.65 2.62 -0.14 -0.88 0.20 -0.46 -4.99 118.68 116.67 2kct s LEU 55 Ca 0.04 -0.28 -0.03 0.00 0.69 0.00 0.00 54.13 54.55 2kct s LEU 55 Cb -0.19 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2kct s LEU 55 CO 0.09 0.28 -0.04 -0.36 -0.29 0.00 0.00 176.35 176.04 2kct s PHE 56 N -0.34 3.03 0.14 5.38 0.40 -1.26 -1.39 117.98 123.94 2kct s PHE 56 Ca 0.03 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 2kct s PHE 56 Cb -0.13 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.51 2kct s PHE 56 CO 0.02 0.04 0.38 0.41 0.70 0.00 0.00 175.22 176.77 2kct n GLY 57 N 3.30 1.37 3.12 4.36 0.00 -0.75 -1.39 105.19 115.20 2kct n GLY 57 Ca -0.17 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.53 1.20 -0.20 2.61 2.01 -0.31 -1.29 115.64 117.14 2kct s THR 58 Ca 0.08 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2kct s THR 58 Cb -0.02 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 2kct s THR 58 CO 0.04 0.34 1.13 -0.69 -0.69 0.00 0.00 174.62 174.75 2kct s VAL 59 N -0.30 4.52 0.30 3.82 1.01 -0.19 -1.34 120.40 128.23 2kct s VAL 59 Ca 0.05 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 2kct s VAL 59 Cb -0.06 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2kct s VAL 59 CO -0.00 -0.16 1.36 0.00 0.00 0.00 0.00 175.10 176.29 2kct s ALA 60 N 3.30 3.54 -0.31 5.51 0.00 -0.80 -1.86 121.76 131.14 2kct s ALA 60 Ca 0.48 1.29 0.27 0.00 0.00 0.00 0.00 51.96 54.01 2kct s ALA 60 Cb -0.18 -3.51 0.82 0.00 0.00 0.00 0.00 23.12 20.25 2kct s ALA 60 CO 0.10 -0.69 1.77 0.00 0.00 0.00 0.00 175.76 176.94 2kct h ALA 61 N 3.93 1.00 -2.33 0.00 0.00 -1.89 -3.41 119.26 116.55 2kct h ALA 61 Ca -0.48 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.74 2kct h ALA 61 Cb 1.22 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 2kct h ALA 61 CO 0.69 0.00 -0.18 0.34 0.00 0.00 0.00 179.25 180.10 2kct s ASP 62 N -5.57 6.20 0.00 0.00 2.15 -1.26 -4.63 116.67 113.55 2kct s ASP 62 Ca 0.05 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.29 2kct s ASP 62 Cb 0.08 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2kct s ASP 62 CO 0.59 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 2kct n GLY 63 N 5.12 0.78 2.80 2.66 0.00 -1.26 -4.69 105.19 110.61 2kct n GLY 63 Ca -0.07 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.39 0.87 -0.10 0.99 0.20 -1.26 -0.56 118.68 118.43 2kct s LEU 64 Ca 0.00 -0.07 -0.09 0.00 0.69 0.00 0.00 54.13 54.66 2kct s LEU 64 Cb 0.00 -0.38 0.03 0.00 -0.43 0.00 0.00 46.19 45.41 2kct s LEU 64 CO 0.00 -0.14 0.26 -0.89 -0.29 0.00 0.00 176.35 175.29 2kct s THR 65 N 1.52 -0.00 0.44 3.68 2.01 -0.54 -5.03 115.64 117.71 2kct s THR 65 Ca -0.02 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2kct s THR 65 Cb -0.13 -0.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.93 2kct s THR 65 CO -0.03 0.01 0.88 -0.04 -0.69 0.00 0.00 174.62 174.75 2kct s MET 66 N 0.28 3.94 0.26 4.92 1.00 -1.26 -1.15 119.30 127.29 2kct s MET 66 Ca -0.01 0.79 -0.29 0.00 0.00 0.00 0.00 55.69 56.17 2kct s MET 66 Cb -0.03 -2.26 -0.09 0.00 0.00 0.00 0.00 34.83 32.45 2kct s MET 66 CO -0.01 -0.11 1.18 -0.51 0.00 0.00 0.00 175.02 175.58 2kct s LEU 67 N -3.72 4.49 -0.26 -0.03 1.43 -0.83 -4.83 118.68 114.94 2kct s LEU 67 Ca 0.56 2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 55.74 2kct s LEU 67 Cb -0.10 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2kct s LEU 67 CO 0.27 -0.31 1.70 -1.81 0.23 0.00 0.00 176.35 176.42 2kct s ASP 68 N -0.47 6.18 -1.72 2.29 1.01 -1.26 -2.98 116.67 119.72 2kct s ASP 68 Ca 0.48 1.51 -0.00 0.00 0.71 0.00 0.00 52.55 55.24 2kct s ASP 68 Cb -0.34 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.06 2kct s ASP 68 CO 0.42 -1.44 0.06 0.61 0.21 0.00 0.00 175.17 175.03 2kct n GLY 69 N 4.98 -0.47 3.32 0.21 0.00 -1.26 -4.99 105.19 106.98 2kct n GLY 69 Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.03 -1.06 -0.29 4.61 0.00 -1.16 -5.13 121.76 115.70 2kct s ALA 70 Ca 0.03 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 2kct s ALA 70 Cb -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2kct s ALA 70 CO 0.03 -0.21 1.82 -1.25 0.00 0.00 0.00 175.76 176.15 2kct s PRO 71 N 0.41 3.41 0.00 0.00 0.04 -1.26 -4.23 135.00 133.36 2kct s PRO 71 Ca -0.01 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2kct s PRO 71 Cb -0.04 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2kct s PRO 71 CO -0.01 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2kct n GLY 72 N 5.32 -0.26 3.41 0.56 0.00 -1.04 -2.17 105.19 111.01 2kct n GLY 72 Ca 0.23 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.00 -0.16 1.61 0.11 -0.61 -1.96 120.40 117.39 2kct s VAL 73 Ca 0.00 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2kct s VAL 73 Cb 0.00 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2kct s VAL 73 CO 0.00 0.00 0.01 -0.60 -3.33 0.00 0.00 175.10 171.19 2kct s ARG 74 N 0.40 3.70 0.04 1.54 3.52 -0.30 -1.20 118.95 126.65 2kct s ARG 74 Ca -0.01 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.10 2kct s ARG 74 Cb -0.04 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 2kct s ARG 74 CO -0.01 0.33 0.13 -0.59 -0.81 0.00 0.00 175.30 174.35 2kct s PHE 75 N 0.16 0.15 -0.86 5.12 -0.71 -1.01 -1.47 117.98 119.36 2kct s PHE 75 Ca 0.02 -0.43 -0.18 0.00 -1.04 0.00 0.00 56.93 55.30 2kct s PHE 75 Cb -0.13 -0.10 0.15 0.00 -1.21 0.00 0.00 43.02 41.72 2kct s PHE 75 CO 0.02 -0.39 0.99 0.50 -1.34 0.00 0.00 175.22 175.00 2kct s ARG 76 N -2.59 3.52 -0.21 1.99 3.52 0.27 -1.18 118.95 124.27 2kct s ARG 76 Ca -0.05 -1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 53.42 2kct s ARG 76 Cb -0.01 -4.70 0.00 0.00 -1.56 0.00 0.00 34.95 28.68 2kct s ARG 76 CO -0.04 -1.64 1.10 -1.17 -0.81 0.00 0.00 175.30 172.74 2kct s LEU 77 N 2.15 4.12 -0.52 -0.88 2.96 0.58 -1.90 118.68 125.19 2kct s LEU 77 Ca 0.26 1.47 -0.20 0.00 -0.22 0.00 0.00 54.13 55.44 2kct s LEU 77 Cb -0.09 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.12 2kct s LEU 77 CO -0.07 -0.69 0.70 -1.61 -1.32 0.00 0.00 176.35 173.36 2kct s GLU 78 N 3.26 3.16 0.43 1.98 2.02 -0.45 -1.23 118.70 127.88 2kct s GLU 78 Ca 0.47 -0.78 -0.26 0.00 0.02 0.00 0.00 54.97 54.43 2kct s GLU 78 Cb -0.17 -4.10 -0.09 0.00 0.10 0.00 0.00 34.13 29.87 2kct s GLU 78 CO 0.09 -1.30 1.41 -3.47 0.02 0.00 0.00 175.26 172.00 2kct n ASP 79 N 6.48 3.23 0.18 -0.19 -0.08 -0.74 -1.16 116.55 124.27 2kct n ASP 79 Ca -0.05 1.13 0.14 0.00 -1.51 0.00 0.00 54.79 54.50 2kct n ASP 79 Cb 0.46 -1.58 0.46 0.00 2.34 0.00 0.00 41.12 42.79 2kct n ASP 79 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2kct h LYS 80 N 2.34 0.00 0.38 -0.67 1.57 -1.55 -3.11 116.57 115.53 2kct h LYS 80 Ca -0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2kct h LYS 80 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2kct h LYS 80 CO 0.61 0.00 -0.18 0.22 -0.57 0.00 0.00 179.45 179.53 2kct h ASP 81 N 0.00 -0.43 -3.53 0.86 3.58 -1.92 -3.46 116.42 111.52 2kct h ASP 81 Ca 0.00 -0.13 -0.16 0.00 0.42 0.00 0.00 57.03 57.16 2kct h ASP 81 Cb 0.62 0.11 -0.27 0.00 1.72 0.00 0.00 39.33 41.51 2kct h ASP 81 CO 0.00 -0.08 -0.40 0.20 -2.88 0.00 0.00 179.24 176.08 2kct s ASN 82 N -4.95 -0.34 0.49 2.28 0.01 -1.18 -5.04 114.94 106.21 2kct s ASN 82 Ca -0.14 0.63 0.25 0.00 -0.71 0.00 0.00 52.86 52.89 2kct s ASN 82 Cb 0.02 0.57 1.25 0.00 0.41 0.00 0.00 41.25 43.50 2kct s ASN 82 CO 0.53 -0.15 1.99 0.00 -1.51 0.00 0.00 177.10 177.96 2kct h THR 83 N 5.31 0.66 0.00 1.60 1.03 -1.88 -2.15 112.91 117.48 2kct h THR 83 Ca -0.34 -0.74 -0.02 0.00 -0.01 0.00 0.00 66.41 65.30 2kct h THR 83 Cb 1.18 1.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.72 2kct h THR 83 CO 0.34 0.17 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.65 2kct h SER 84 N 0.00 0.00 -0.59 0.00 0.87 -1.96 -3.35 113.55 108.51 2kct h SER 84 Ca -0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.07 2kct h SER 84 Cb 0.45 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 2kct h SER 84 CO 0.02 0.09 1.60 0.29 -0.53 0.00 0.00 176.83 178.30 2kct n LYS 85 N -4.30 2.24 -3.12 2.24 4.76 -0.81 -4.90 118.16 114.27 2kct n LYS 85 Ca -0.03 -2.76 -0.45 0.00 -2.87 0.00 0.00 58.31 52.20 2kct n LYS 85 Cb 0.17 -3.61 -0.04 0.00 -1.84 0.00 0.00 35.03 29.71 2kct n LYS 85 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kct s THR 86 N 8.07 4.88 -0.11 -0.18 -4.23 -1.26 -1.79 115.64 121.02 2kct s THR 86 Ca 0.62 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2kct s THR 86 Cb 0.02 -4.51 -0.03 0.00 1.34 0.00 0.00 72.50 69.32 2kct s THR 86 CO 0.11 -1.15 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.33 2kct s VAL 87 N 2.49 4.03 -0.05 2.29 1.01 -0.36 -4.93 120.40 124.88 2kct s VAL 87 Ca 0.13 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 2kct s VAL 87 Cb -0.22 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2kct s VAL 87 CO 0.04 0.55 0.70 0.26 0.00 0.00 0.00 175.10 176.65 2kct s TRP 88 N -0.31 3.60 -0.24 5.22 0.52 -1.26 -0.31 118.94 126.16 2kct s TRP 88 Ca 0.06 1.26 -0.01 0.00 0.02 0.00 0.00 56.10 57.43 2kct s TRP 88 Cb -0.12 -2.79 0.02 0.00 -1.15 0.00 0.00 33.47 29.43 2kct s TRP 88 CO 0.02 0.12 -0.08 0.08 0.02 0.00 0.00 176.95 177.12 2kct s VAL 89 N 0.65 2.82 -0.78 4.03 1.01 -0.32 -0.95 120.40 126.85 2kct s VAL 89 Ca 0.37 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2kct s VAL 89 Cb -0.18 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 33.94 2kct s VAL 89 CO 0.18 0.27 0.95 -0.22 0.00 0.00 0.00 175.10 176.28 2kct s LEU 90 N 1.34 5.24 -0.36 3.92 2.96 0.48 -2.39 118.68 129.86 2kct s LEU 90 Ca 0.01 -1.79 -0.20 0.00 -0.22 0.00 0.00 54.13 51.94 2kct s LEU 90 Cb -0.16 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.18 2kct s LEU 90 CO -0.05 -1.08 0.59 -0.47 -1.32 0.00 0.00 176.35 174.02 2kct s TYR 91 N 2.60 3.15 -0.21 5.38 5.04 -0.34 -1.92 117.35 131.05 2kct s TYR 91 Ca 0.24 0.23 -0.19 0.00 -2.44 0.00 0.00 57.07 54.91 2kct s TYR 91 Cb -0.12 -3.08 -0.03 0.00 0.35 0.00 0.00 41.96 39.08 2kct s TYR 91 CO -0.02 -0.62 0.55 0.15 -1.34 0.00 0.00 175.55 174.26 2kct s LYS 92 N 2.60 4.17 0.00 4.97 3.01 -1.21 -1.58 119.74 131.70 2kct s LYS 92 Ca 0.22 0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.63 2kct s LYS 92 Cb -0.15 -3.58 0.00 0.00 -1.01 0.00 0.00 37.83 33.09 2kct s LYS 92 CO 0.15 -0.21 0.00 0.41 0.51 0.00 0.00 175.35 176.20 2kct n GLY 93 N 3.96 3.06 3.66 -3.33 0.00 -0.92 -4.79 105.19 106.84 2kct n GLY 93 Ca -0.04 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.00 3.62 -0.14 4.61 0.00 -1.26 -2.50 121.76 124.09 2kct s ALA 94 Ca 0.00 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 2kct s ALA 94 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2kct s ALA 94 CO 0.00 -1.40 0.92 0.08 0.00 0.00 0.00 175.76 175.36 2kct s VAL 95 N 4.02 4.83 0.59 0.00 1.01 -1.26 -4.99 120.40 124.61 2kct s VAL 95 Ca 0.75 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 64.40 2kct s VAL 95 Cb -0.34 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2kct s VAL 95 CO 0.31 0.01 1.04 -2.16 0.00 0.00 0.00 175.10 174.30 2kct s PRO 96 N 2.11 3.40 0.56 2.72 0.04 -1.26 -4.96 135.00 137.61 2kct s PRO 96 Ca 0.43 1.11 0.33 0.00 0.04 0.00 0.00 61.00 62.91 2kct s PRO 96 Cb -0.17 -2.05 1.66 0.00 0.04 0.00 0.00 34.50 33.98 2kct s PRO 96 CO 0.15 -0.74 2.12 -0.44 0.04 0.00 0.00 177.00 178.13 2kct h ASP 97 N 0.36 0.00 1.11 6.66 5.19 -1.95 -1.87 116.42 125.92 2kct h ASP 97 Ca -0.46 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.88 2kct h ASP 97 Cb 1.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 2kct h ASP 97 CO 0.58 0.06 -0.32 0.00 -3.12 0.00 0.00 179.24 176.45 2kct h THR 98 N 0.00 0.67 -3.12 0.35 1.03 -1.93 -3.41 112.91 106.49 2kct h THR 98 Ca -0.00 -1.48 -0.57 0.00 -0.01 0.00 0.00 66.41 64.35 2kct h THR 98 Cb 0.31 1.98 -0.05 0.00 -1.07 0.00 0.00 68.15 69.32 2kct h THR 98 CO 0.01 0.31 1.12 0.12 -0.01 0.00 0.00 175.52 177.07 2kct s PHE 99 N -3.44 2.25 0.06 0.00 5.36 -0.70 -4.86 117.98 116.64 2kct s PHE 99 Ca 0.02 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 2kct s PHE 99 Cb 0.09 -4.27 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2kct s PHE 99 CO 0.68 -2.22 0.01 -1.59 -1.46 0.00 0.00 175.22 170.64 2kct s LYS 100 N 5.13 0.65 -0.53 10.12 -2.85 -1.26 -4.89 119.74 126.10 2kct s LYS 100 Ca 0.66 -1.16 -0.26 0.00 -1.00 0.00 0.00 55.97 54.21 2kct s LYS 100 Cb -0.16 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2kct s LYS 100 CO 0.33 -0.14 2.23 -1.25 0.10 0.00 0.00 175.35 176.62 2kct s PRO 101 N -3.85 2.28 0.00 1.78 0.04 -1.26 -1.70 135.00 132.29 2kct s PRO 101 Ca 0.06 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2kct s PRO 101 Cb 0.07 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2kct s PRO 101 CO -0.10 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.26 2kct n GLY 102 N 5.90 1.34 3.78 0.56 0.00 -0.78 -4.68 105.19 111.31 2kct n GLY 102 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.51 3.40 0.13 1.61 0.11 -0.69 -4.72 120.40 118.73 2kct s VAL 103 Ca 0.00 1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 59.78 2kct s VAL 103 Cb 0.00 -3.50 -0.07 0.00 -1.53 0.00 0.00 36.38 31.28 2kct s VAL 103 CO 0.00 -0.04 0.89 -1.61 -3.33 0.00 0.00 175.10 171.01 2kct s GLU 104 N -2.74 4.68 0.31 1.54 2.02 -1.26 -1.02 118.70 122.23 2kct s GLU 104 Ca 0.63 1.35 0.04 0.00 0.02 0.00 0.00 54.97 57.00 2kct s GLU 104 Cb -0.25 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.58 2kct s GLU 104 CO 0.30 0.34 0.05 0.14 0.02 0.00 0.00 175.26 176.11 2kct s VAL 105 N -0.41 1.14 -0.21 2.63 -7.23 -0.41 -0.73 120.40 115.19 2kct s VAL 105 Ca 0.43 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2kct s VAL 105 Cb -0.23 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.03 2kct s VAL 105 CO 0.28 -0.03 0.07 -0.63 -0.31 0.00 0.00 175.10 174.48 2kct s ILE 106 N -3.33 0.34 0.09 -0.62 1.01 0.61 -1.81 121.20 117.48 2kct s ILE 106 Ca 0.36 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2kct s ILE 106 Cb 0.08 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2kct s ILE 106 CO 0.15 -0.34 0.27 0.27 0.00 0.00 0.00 174.94 175.29 2kct s ILE 107 N 1.93 5.30 -0.01 2.92 -4.36 -0.49 -2.05 121.20 124.45 2kct s ILE 107 Ca 0.02 -0.19 0.02 0.00 -0.26 0.00 0.00 60.65 60.24 2kct s ILE 107 Cb -0.17 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 39.92 2kct s ILE 107 CO -0.13 0.12 -0.06 -1.61 0.24 0.00 0.00 174.94 173.49 2kct s GLU 108 N -2.50 0.53 0.00 0.37 2.02 -0.91 -1.35 118.70 116.86 2kct s GLU 108 Ca 0.37 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2kct s GLU 108 Cb -0.13 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.59 2kct s GLU 108 CO 0.26 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2kct n GLY 109 N 2.95 -0.49 3.67 -1.39 0.00 -0.86 -1.02 105.19 108.05 2kct n GLY 109 Ca -0.13 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.33 -0.34 -0.02 0.00 -0.86 -1.52 107.32 104.25 2kct s GLY 110 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.27 2kct s GLY 110 CO 0.00 0.11 0.05 -2.27 0.00 0.00 0.00 173.10 170.99 2kct s LEU 111 N -2.89 4.68 -0.02 0.66 2.96 -1.26 -1.43 118.68 121.39 2kct s LEU 111 Ca 0.12 -2.07 -0.27 0.00 -0.22 0.00 0.00 54.13 51.69 2kct s LEU 111 Cb 0.01 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2kct s LEU 111 CO -0.02 -0.38 0.87 0.00 -1.32 0.00 0.00 176.35 175.51 2kct s ALA 112 N 0.95 3.23 -0.81 5.97 0.00 -1.26 -4.97 121.76 124.87 2kct s ALA 112 Ca 0.09 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 2kct s ALA 112 Cb -0.19 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 2kct s ALA 112 CO -0.07 -0.16 2.49 -2.30 0.00 0.00 0.00 175.76 175.71 2kct n PRO 113 N 3.75 0.40 0.00 0.00 -0.02 -1.26 -1.07 135.00 136.81 2kct n PRO 113 Ca 0.03 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2kct n PRO 113 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 6.23 2.73 3.63 -1.23 0.00 -1.26 -5.09 105.19 110.20 2kct n GLY 114 Ca 0.55 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 4.08 0.35 1.61 8.01 -0.23 -4.92 118.70 127.60 2kct s GLU 115 Ca 0.00 0.83 0.17 0.00 0.01 0.00 0.00 54.97 55.98 2kct s GLU 115 Cb 0.00 -3.69 0.56 0.00 -4.31 0.00 0.00 34.13 26.69 2kct s GLU 115 CO 0.00 -0.64 1.68 0.22 0.01 0.00 0.00 175.26 176.53 2kct h ASP 116 N 7.90 0.00 -3.44 -0.19 3.58 -1.98 -3.39 116.42 118.90 2kct h ASP 116 Ca -0.23 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.68 2kct h ASP 116 Cb 1.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2kct h ASP 116 CO 0.90 0.43 0.09 0.28 -2.88 0.00 0.00 179.24 178.06 2kct s THR 117 N -3.52 4.54 -0.23 2.25 -1.32 -1.26 -4.77 115.64 111.32 2kct s THR 117 Ca 0.00 1.43 -0.29 0.00 -1.21 0.00 0.00 61.69 61.62 2kct s THR 117 Cb 0.11 -3.99 -0.00 0.00 -1.51 0.00 0.00 72.50 67.11 2kct s THR 117 CO 0.70 0.45 1.23 0.12 -2.21 0.00 0.00 174.62 174.91 2kct s PHE 118 N -1.24 2.89 -0.78 9.09 2.19 -0.12 -4.76 117.98 125.24 2kct s PHE 118 Ca 0.36 1.04 -0.26 0.00 0.33 0.00 0.00 56.93 58.40 2kct s PHE 118 Cb -0.20 -3.62 0.01 0.00 -1.31 0.00 0.00 43.02 37.90 2kct s PHE 118 CO 0.23 -1.46 1.53 0.15 1.83 0.00 0.00 175.22 177.50 2kct s LYS 119 N 3.69 3.05 -0.37 10.12 1.02 -0.51 -0.39 119.74 136.36 2kct s LYS 119 Ca 0.53 -0.19 -0.22 0.00 0.02 0.00 0.00 55.97 56.11 2kct s LYS 119 Cb -0.18 -4.54 0.01 0.00 -0.52 0.00 0.00 37.83 32.59 2kct s LYS 119 CO 0.16 -2.44 0.72 0.00 -0.92 0.00 0.00 175.35 172.88 2kct s ALA 120 N 6.91 3.43 0.10 5.17 0.00 -0.81 -2.02 121.76 134.54 2kct s ALA 120 Ca 0.49 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 2kct s ALA 120 Cb -0.08 -3.29 -0.21 0.00 0.00 0.00 0.00 23.12 19.54 2kct s ALA 120 CO 0.10 -1.46 1.21 0.07 0.00 0.00 0.00 175.76 175.68 2kct h ARG 121 N 8.50 0.29 -4.12 0.00 0.11 -1.38 -3.19 114.38 114.59 2kct h ARG 121 Ca -0.25 -0.42 -0.23 0.00 0.10 0.00 0.00 59.98 59.17 2kct h ARG 121 Cb 1.10 0.15 -0.24 0.00 1.11 0.00 0.00 29.97 32.09 2kct h ARG 121 CO 0.88 1.16 -0.72 0.95 0.10 0.00 0.00 179.97 182.34 2kct s THR 122 N -2.87 0.24 -0.16 0.08 -4.23 -1.11 -4.93 115.64 102.66 2kct s THR 122 Ca -0.04 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 2kct s THR 122 Cb 0.08 -0.31 0.05 0.00 1.34 0.00 0.00 72.50 73.67 2kct s THR 122 CO 0.87 -0.27 0.05 -0.22 -0.54 0.00 0.00 174.62 174.51 2kct s LEU 123 N -0.97 0.79 -0.16 4.79 2.96 -1.26 -2.13 118.68 122.69 2kct s LEU 123 Ca -0.08 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 2kct s LEU 123 Cb -0.07 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.20 2kct s LEU 123 CO -0.00 -0.30 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.24 2kct s MET 124 N 1.97 2.60 0.44 1.98 -2.45 -0.87 -4.96 119.30 118.02 2kct s MET 124 Ca 0.01 -0.69 -0.23 0.00 -1.25 0.00 0.00 55.69 53.53 2kct s MET 124 Cb -0.16 -2.32 -0.08 0.00 1.25 0.00 0.00 34.83 33.52 2kct s MET 124 CO -0.08 -0.23 1.11 0.95 1.05 0.00 0.00 175.02 177.82 2kct s THR 125 N 1.40 3.40 0.26 10.11 -4.23 -1.26 -0.28 115.64 125.03 2kct s THR 125 Ca 0.05 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 2kct s THR 125 Cb -0.13 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.25 2kct s THR 125 CO -0.12 -0.03 1.68 0.50 -0.54 0.00 0.00 174.62 176.11 2kct h LYS 126 N 2.12 0.51 -6.58 3.99 1.63 -1.20 -3.40 116.57 113.64 2kct h LYS 126 Ca -0.49 -0.21 -0.55 0.00 -0.85 0.00 0.00 60.65 58.55 2kct h LYS 126 Cb 1.23 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.77 2kct h LYS 126 CO 0.61 0.75 0.99 0.00 -3.45 0.00 0.00 179.45 178.35 2kct s PRO 128 N 4.92 4.48 0.00 0.00 0.04 -1.26 -4.85 135.00 138.33 2kct s PRO 128 Ca 0.47 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2kct s PRO 128 Cb -0.08 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2kct s PRO 128 CO 0.27 -0.11 0.72 -0.11 0.04 0.00 0.00 177.00 177.81 2kct n LEU 129 N 4.24 -0.71 0.00 -3.56 7.94 -1.26 -5.13 117.00 118.52 2kct n LEU 129 Ca 0.05 -1.44 0.13 0.00 -1.11 0.00 0.00 56.01 53.64 2kct n LEU 129 Cb 0.50 0.00 0.75 0.00 0.53 0.00 0.00 43.42 45.20 2kct n LEU 129 CO 0.51 1.22 0.93 -1.84 -1.11 0.00 0.00 177.39 177.10