#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 -0.14 -5.12 0.00 -1.26 -4.99 121.76 113.42 2kct s ALA 44 Ca 0.00 -2.70 -0.29 0.00 0.00 0.00 0.00 51.96 48.97 2kct s ALA 44 Cb 0.00 -4.46 -0.01 0.00 0.00 0.00 0.00 23.12 18.66 2kct s ALA 44 CO 0.00 -3.32 1.02 0.95 0.00 0.00 0.00 175.76 174.41 2kct s THR 45 N 3.98 4.75 -0.47 0.00 -4.23 -1.26 -4.99 115.64 113.42 2kct s THR 45 Ca 0.47 2.04 -0.31 0.00 -1.18 0.00 0.00 61.69 62.71 2kct s THR 45 Cb 0.00 -4.31 -0.11 0.00 1.34 0.00 0.00 72.50 69.43 2kct s THR 45 CO -0.02 -0.05 2.34 -2.65 -0.54 0.00 0.00 174.62 173.70 2kct n PRO 46 N 5.41 1.02 -1.64 3.99 -0.02 -1.26 -4.83 135.00 137.66 2kct n PRO 46 Ca 0.10 0.19 -0.49 0.00 -2.02 0.00 0.00 63.50 61.27 2kct n PRO 46 Cb 0.48 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 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 8.57 1.89 -2.54 -0.52 0.00 -1.26 -4.91 117.38 118.61 2kct n GLN 47 Ca 0.42 0.66 -0.43 0.00 0.00 0.00 0.00 57.00 57.66 2kct n GLN 47 Cb 0.33 -2.61 -0.02 0.00 0.00 0.00 0.00 30.24 27.94 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 4.88 6.99 -0.01 2.61 2.15 -1.26 -4.84 116.67 127.18 2kct s ASP 48 Ca 0.97 1.46 0.00 0.00 0.43 0.00 0.00 52.55 55.41 2kct s ASP 48 Cb -0.73 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.34 2kct s ASP 48 CO 0.52 -0.76 -0.00 1.17 -0.17 0.00 0.00 175.17 175.92 2kct n LYS 49 N 6.57 2.00 0.08 4.34 3.00 -1.26 -4.83 118.16 128.06 2kct n LYS 49 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.31 2kct n LYS 49 Cb 0.46 -1.03 -0.07 0.00 0.00 0.00 0.00 35.03 34.39 2kct n LYS 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2kct h LEU 50 N 0.00 0.44 -7.22 3.14 3.38 -2.00 -3.35 115.31 109.70 2kct h LEU 50 Ca -0.03 -0.39 -0.74 0.00 0.09 0.00 0.00 57.88 56.81 2kct h LEU 50 Cb 1.05 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 2kct h LEU 50 CO -0.00 1.23 1.74 1.41 0.09 0.00 0.00 178.44 182.90 2kct n HIS 51 N -3.65 4.20 -2.31 1.13 8.25 -1.26 -4.99 115.22 116.59 2kct n HIS 51 Ca -0.07 -3.11 -0.42 0.00 -0.26 0.00 0.00 57.72 53.86 2kct n HIS 51 Cb 0.89 -2.16 -0.03 0.00 1.12 0.00 0.00 29.99 29.82 2kct n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2kct s THR 52 N 1.46 3.98 -0.04 1.59 2.01 -1.26 -4.84 115.64 118.54 2kct s THR 52 Ca 0.43 1.29 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 2kct s THR 52 Cb 0.03 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2kct s THR 52 CO 0.01 -0.04 0.13 -0.69 -0.69 0.00 0.00 174.62 173.33 2kct s VAL 53 N 2.82 5.18 -0.01 3.82 1.01 -0.64 -4.93 120.40 127.64 2kct s VAL 53 Ca 0.60 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2kct s VAL 53 Cb -0.27 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2kct s VAL 53 CO 0.23 0.43 -0.01 -0.60 0.00 0.00 0.00 175.10 175.14 2kct s ARG 54 N -1.57 0.19 0.27 2.72 3.52 -1.26 -1.22 118.95 121.61 2kct s ARG 54 Ca 0.22 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.88 2kct s ARG 54 Cb -0.12 -0.26 -0.06 0.00 -1.56 0.00 0.00 34.95 32.95 2kct s ARG 54 CO 0.12 -0.02 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.00 2kct s LEU 55 N 0.35 2.51 -0.02 -0.88 1.43 -0.63 -5.01 118.68 116.43 2kct s LEU 55 Ca -0.03 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2kct s LEU 55 Cb -0.06 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.50 2kct s LEU 55 CO -0.01 -0.30 0.00 -0.36 0.23 0.00 0.00 176.35 175.92 2kct s PHE 56 N -2.96 0.22 -2.17 0.29 0.08 -1.26 -2.67 117.98 109.50 2kct s PHE 56 Ca 0.29 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2kct s PHE 56 Cb 0.03 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 2kct s PHE 56 CO 0.12 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 2kct n GLY 57 N 3.88 -0.64 3.27 4.36 0.00 -1.19 -3.02 105.19 111.86 2kct n GLY 57 Ca -0.24 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 1.74 0.01 2.61 2.01 -0.58 -2.15 115.64 116.27 2kct s THR 58 Ca 0.00 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 2kct s THR 58 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2kct s THR 58 CO 0.00 0.16 1.19 -0.69 -0.69 0.00 0.00 174.62 174.59 2kct s VAL 59 N -0.89 4.18 0.28 3.82 1.01 -0.29 -0.74 120.40 127.78 2kct s VAL 59 Ca 0.08 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2kct s VAL 59 Cb -0.09 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2kct s VAL 59 CO 0.02 0.06 1.09 0.00 0.00 0.00 0.00 175.10 176.28 2kct s ALA 60 N 1.59 3.40 -1.30 5.51 0.00 -0.54 -2.44 121.76 127.97 2kct s ALA 60 Ca 0.57 0.88 0.26 0.00 0.00 0.00 0.00 51.96 53.67 2kct s ALA 60 Cb -0.27 -3.32 1.27 0.00 0.00 0.00 0.00 23.12 20.81 2kct s ALA 60 CO 0.26 -0.13 1.88 0.00 0.00 0.00 0.00 175.76 177.77 2kct n ALA 61 N 1.20 2.29 -3.45 0.00 0.00 -1.26 -4.42 120.51 114.86 2kct n ALA 61 Ca -0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 2kct n ALA 61 Cb 0.45 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.70 3.92 0.00 0.00 2.15 -1.26 -4.60 116.67 114.17 2kct s ASP 62 Ca 0.21 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2kct s ASP 62 Cb 0.18 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 2kct s ASP 62 CO 0.43 0.06 0.00 0.61 -0.17 0.00 0.00 175.17 176.10 2kct n GLY 63 N 4.24 0.58 3.55 2.66 0.00 -1.26 -4.36 105.19 110.60 2kct n GLY 63 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 3.27 -0.18 0.99 0.20 -1.25 -3.81 118.68 117.90 2kct s LEU 64 Ca 0.00 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.25 2kct s LEU 64 Cb 0.00 -2.56 0.01 0.00 -0.43 0.00 0.00 46.19 43.22 2kct s LEU 64 CO 0.00 -1.99 -0.18 -0.89 -0.29 0.00 0.00 176.35 173.00 2kct s THR 65 N 6.83 2.29 0.08 3.68 2.01 0.10 -4.98 115.64 125.64 2kct s THR 65 Ca 0.49 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 2kct s THR 65 Cb -0.07 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 2kct s THR 65 CO 0.08 0.52 0.78 -0.04 -0.69 0.00 0.00 174.62 175.27 2kct s MET 66 N 1.22 4.52 0.18 4.92 -1.94 -1.26 -0.53 119.30 126.40 2kct s MET 66 Ca 0.03 1.11 -0.32 0.00 -1.71 0.00 0.00 55.69 54.80 2kct s MET 66 Cb -0.14 -3.34 -0.11 0.00 2.01 0.00 0.00 34.83 33.25 2kct s MET 66 CO -0.09 0.36 1.78 1.28 -0.01 0.00 0.00 175.02 178.34 2kct n LEU 67 N 2.47 4.06 -4.64 -0.03 4.77 -0.56 -4.91 117.00 118.16 2kct n LEU 67 Ca -0.03 1.03 -0.43 0.00 -0.03 0.00 0.00 56.01 56.55 2kct n LEU 67 Cb 0.50 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 2kct n LEU 67 CO 0.47 0.20 1.27 1.51 -1.33 0.00 0.00 177.39 179.51 2kct s ASP 68 N 1.85 6.62 -1.51 -1.43 -4.77 -1.26 -2.75 116.67 113.42 2kct s ASP 68 Ca 0.78 1.72 -0.03 0.00 -3.30 0.00 0.00 52.55 51.72 2kct s ASP 68 Cb -0.49 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 38.81 2kct s ASP 68 CO 0.34 -1.04 0.33 0.61 0.70 0.00 0.00 175.17 176.11 2kct n GLY 69 N 4.25 -0.42 3.49 2.12 0.00 -1.26 -5.00 105.19 108.37 2kct n GLY 69 Ca 0.17 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.06 -1.48 -0.30 4.61 0.00 -1.11 -5.12 121.76 115.30 2kct s ALA 70 Ca 0.17 1.79 -0.28 0.00 0.00 0.00 0.00 51.96 53.63 2kct s ALA 70 Cb -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2kct s ALA 70 CO 0.21 -0.30 1.92 -1.25 0.00 0.00 0.00 175.76 176.34 2kct s PRO 71 N 0.72 3.26 0.00 0.00 0.04 -1.26 -4.24 135.00 133.52 2kct s PRO 71 Ca -0.03 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2kct s PRO 71 Cb -0.05 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2kct s PRO 71 CO -0.05 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.45 2kct n GLY 72 N 5.52 1.04 3.27 0.56 0.00 -1.02 -1.41 105.19 113.16 2kct n GLY 72 Ca 0.25 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.07 0.01 1.61 0.11 -0.06 -1.50 120.40 118.65 2kct s VAL 73 Ca 0.00 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2kct s VAL 73 Cb 0.00 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2kct s VAL 73 CO 0.00 -0.32 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.64 2kct s ARG 74 N -2.26 1.51 0.31 1.54 3.52 0.31 -1.02 118.95 122.86 2kct s ARG 74 Ca -0.07 -0.82 -0.19 0.00 -0.13 0.00 0.00 55.73 54.53 2kct s ARG 74 Cb -0.02 -1.53 0.03 0.00 -1.56 0.00 0.00 34.95 31.87 2kct s ARG 74 CO -0.01 0.41 0.73 -0.59 -0.81 0.00 0.00 175.30 175.02 2kct s PHE 75 N -0.62 -0.05 -0.36 5.12 -0.71 -1.10 -0.72 117.98 119.54 2kct s PHE 75 Ca 0.08 -0.48 -0.12 0.00 -1.04 0.00 0.00 56.93 55.37 2kct s PHE 75 Cb -0.08 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.45 2kct s PHE 75 CO 0.00 -1.33 0.23 1.03 -1.34 0.00 0.00 175.22 173.81 2kct s ARG 76 N -3.40 3.21 -0.35 1.99 0.52 -1.26 -0.30 118.95 119.37 2kct s ARG 76 Ca 0.13 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 2kct s ARG 76 Cb -0.05 -3.80 -0.00 0.00 0.52 0.00 0.00 34.95 31.62 2kct s ARG 76 CO 0.09 -0.57 1.46 -1.17 0.02 0.00 0.00 175.30 175.13 2kct s LEU 77 N 1.66 3.69 -0.37 2.53 2.96 0.18 -1.47 118.68 127.86 2kct s LEU 77 Ca 0.05 1.09 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 2kct s LEU 77 Cb -0.18 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2kct s LEU 77 CO 0.09 -1.35 1.55 -1.61 -1.32 0.00 0.00 176.35 173.70 2kct s GLU 78 N 4.79 3.52 0.51 1.98 2.02 0.08 -2.49 118.70 129.12 2kct s GLU 78 Ca 0.64 1.15 -0.22 0.00 0.02 0.00 0.00 54.97 56.56 2kct s GLU 78 Cb -0.17 -4.08 -0.06 0.00 0.10 0.00 0.00 34.13 29.92 2kct s GLU 78 CO 0.30 -1.63 1.29 -0.51 0.02 0.00 0.00 175.26 174.72 2kct s ASP 79 N 4.63 5.60 0.24 -0.19 1.11 -1.24 -1.53 116.67 125.29 2kct s ASP 79 Ca 0.68 2.60 -0.03 0.00 0.18 0.00 0.00 52.55 55.97 2kct s ASP 79 Cb -0.17 -2.62 0.27 0.00 1.07 0.00 0.00 42.92 41.46 2kct s ASP 79 CO 0.33 -1.33 1.71 0.50 1.18 0.00 0.00 175.17 177.56 2kct h LYS 80 N 1.68 0.81 0.00 8.23 3.64 -1.91 -3.31 116.57 125.71 2kct h LYS 80 Ca -0.50 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 58.54 2kct h LYS 80 Cb 1.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2kct h LYS 80 CO 0.58 0.86 -0.65 -0.44 -2.27 0.00 0.00 179.45 177.53 2kct h ASP 81 N 0.74 0.00 -3.23 4.20 5.19 -1.92 -3.46 116.42 117.94 2kct h ASP 81 Ca 0.13 -0.28 -0.57 0.00 -0.62 0.00 0.00 57.03 55.70 2kct h ASP 81 Cb 0.54 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 2kct h ASP 81 CO 0.03 1.00 1.00 0.20 -3.12 0.00 0.00 179.24 178.35 2kct s ASN 82 N -6.15 6.57 0.11 6.45 0.01 -1.24 -4.88 114.94 115.80 2kct s ASN 82 Ca -0.18 1.03 0.18 0.00 -0.71 0.00 0.00 52.86 53.18 2kct s ASN 82 Cb 0.03 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 2kct s ASN 82 CO 0.37 -1.20 0.92 0.00 -1.51 0.00 0.00 177.10 175.68 2kct h THR 83 N 6.13 0.43 -0.02 1.60 1.03 -1.90 -3.30 112.91 116.89 2kct h THR 83 Ca -0.26 -1.82 0.00 0.00 -0.01 0.00 0.00 66.41 64.32 2kct h THR 83 Cb 1.10 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 2kct h THR 83 CO 1.06 0.24 -0.31 -1.20 -0.01 0.00 0.00 175.52 175.30 2kct n SER 84 N -2.88 2.22 -4.05 0.00 7.64 -1.26 -4.93 113.62 110.37 2kct n SER 84 Ca -0.07 -1.61 -0.27 0.00 1.01 0.00 0.00 58.87 57.93 2kct n SER 84 Cb 0.77 0.34 -0.17 0.00 -1.01 0.00 0.00 64.21 64.14 2kct n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kct s LYS 85 N -2.21 2.00 -0.06 1.43 -0.14 -1.26 -5.13 119.74 114.37 2kct s LYS 85 Ca 0.20 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.35 2kct s LYS 85 Cb 0.17 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 2kct s LYS 85 CO 0.46 -0.00 -0.17 0.95 -0.76 0.00 0.00 175.35 175.83 2kct s THR 86 N 0.79 1.48 -0.04 2.17 -4.23 -1.26 -3.78 115.64 110.77 2kct s THR 86 Ca -0.11 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2kct s THR 86 Cb -0.16 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 2kct s THR 86 CO 0.02 0.43 0.11 -0.69 -0.54 0.00 0.00 174.62 173.94 2kct s VAL 87 N 0.33 5.00 0.32 2.29 1.01 -1.04 -4.91 120.40 123.41 2kct s VAL 87 Ca -0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2kct s VAL 87 Cb -0.15 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2kct s VAL 87 CO 0.04 0.43 1.07 0.26 0.00 0.00 0.00 175.10 176.90 2kct s TRP 88 N -1.16 3.48 -0.24 5.22 0.52 -1.26 -0.65 118.94 124.85 2kct s TRP 88 Ca 0.21 1.69 0.00 0.00 0.02 0.00 0.00 56.10 58.02 2kct s TRP 88 Cb -0.12 -3.21 0.07 0.00 -1.15 0.00 0.00 33.47 29.06 2kct s TRP 88 CO 0.12 -0.53 -0.01 0.08 0.02 0.00 0.00 176.95 176.62 2kct s VAL 89 N -1.35 1.32 -0.81 4.03 1.01 0.59 -0.56 120.40 124.63 2kct s VAL 89 Ca 0.49 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2kct s VAL 89 Cb -0.28 -1.71 0.14 0.00 0.00 0.00 0.00 36.38 34.53 2kct s VAL 89 CO 0.35 -0.23 0.93 -0.22 0.00 0.00 0.00 175.10 175.93 2kct s LEU 90 N 1.47 5.52 -0.32 3.92 2.96 0.39 -2.69 118.68 129.93 2kct s LEU 90 Ca -0.02 -2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 51.70 2kct s LEU 90 Cb -0.18 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 2kct s LEU 90 CO -0.09 -0.98 0.59 -0.47 -1.32 0.00 0.00 176.35 174.09 2kct s TYR 91 N 2.14 3.20 -0.30 5.38 5.04 -0.19 -1.12 117.35 131.50 2kct s TYR 91 Ca 0.23 0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 55.25 2kct s TYR 91 Cb -0.11 -2.98 0.01 0.00 0.35 0.00 0.00 41.96 39.23 2kct s TYR 91 CO -0.04 -0.50 0.09 0.15 -1.34 0.00 0.00 175.55 173.90 2kct s LYS 92 N 2.55 3.04 0.00 4.97 1.02 -1.19 -0.88 119.74 129.26 2kct s LYS 92 Ca 0.23 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2kct s LYS 92 Cb -0.15 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2kct s LYS 92 CO 0.12 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2kct n GLY 93 N 4.86 1.90 3.62 -3.33 0.00 -0.50 -4.82 105.19 106.93 2kct n GLY 93 Ca -0.14 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.99 3.03 -0.18 4.61 0.00 -1.26 -2.42 121.76 123.55 2kct s ALA 94 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 2kct s ALA 94 Cb 0.00 -3.97 -0.00 0.00 0.00 0.00 0.00 23.12 19.14 2kct s ALA 94 CO 0.00 -2.35 0.95 0.08 0.00 0.00 0.00 175.76 174.44 2kct s VAL 95 N 6.66 4.78 0.60 0.00 1.01 -1.26 -4.99 120.40 127.20 2kct s VAL 95 Ca 0.88 1.88 -0.20 0.00 0.00 0.00 0.00 61.98 64.55 2kct s VAL 95 Cb -0.31 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2kct s VAL 95 CO 0.35 -0.06 1.32 -2.16 0.00 0.00 0.00 175.10 174.54 2kct s PRO 96 N 2.56 2.82 0.33 2.72 0.04 -1.26 -4.93 135.00 137.28 2kct s PRO 96 Ca 0.43 2.12 0.26 0.00 0.04 0.00 0.00 61.00 63.85 2kct s PRO 96 Cb -0.16 -2.02 1.01 0.00 0.04 0.00 0.00 34.50 33.36 2kct s PRO 96 CO 0.11 -1.40 1.78 0.38 0.04 0.00 0.00 177.00 177.91 2kct h ASP 97 N 0.95 0.00 0.95 6.66 2.03 -2.02 -2.41 116.42 122.58 2kct h ASP 97 Ca -0.51 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.75 2kct h ASP 97 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 2kct h ASP 97 CO 0.55 0.00 -0.21 0.71 -1.03 0.00 0.00 179.24 179.26 2kct h THR 98 N 0.00 0.52 -3.45 1.15 1.35 -1.91 -3.43 112.91 107.14 2kct h THR 98 Ca 0.00 -1.10 -0.52 0.00 -0.55 0.00 0.00 66.41 64.24 2kct h THR 98 Cb 0.50 1.76 0.02 0.00 -1.73 0.00 0.00 68.15 68.70 2kct h THR 98 CO 0.00 0.21 0.58 0.12 -0.25 0.00 0.00 175.52 176.18 2kct s PHE 99 N -3.64 3.38 -0.08 4.73 5.36 -0.91 -4.91 117.98 121.91 2kct s PHE 99 Ca 0.01 1.37 -0.32 0.00 -0.96 0.00 0.00 56.93 57.03 2kct s PHE 99 Cb 0.10 -3.48 0.12 0.00 -0.34 0.00 0.00 43.02 39.42 2kct s PHE 99 CO 0.63 -1.38 1.06 -1.59 -1.46 0.00 0.00 175.22 172.48 2kct s LYS 100 N -0.17 0.58 -0.36 10.12 -2.85 -1.26 -4.97 119.74 120.82 2kct s LYS 100 Ca 0.54 -0.23 -0.27 0.00 -1.00 0.00 0.00 55.97 55.00 2kct s LYS 100 Cb -0.34 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.64 2kct s LYS 100 CO 0.37 -0.26 2.20 -1.25 0.10 0.00 0.00 175.35 176.51 2kct s PRO 101 N -2.77 2.75 0.00 1.78 0.04 -1.26 -2.27 135.00 133.27 2kct s PRO 101 Ca 0.08 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kct s PRO 101 Cb -0.01 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2kct s PRO 101 CO -0.06 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.85 2kct n GLY 102 N 5.80 1.54 3.78 0.56 0.00 -1.02 -4.84 105.19 111.00 2kct n GLY 102 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 3.63 0.13 1.61 0.11 -0.96 -4.69 120.40 118.23 2kct s VAL 103 Ca 0.00 1.30 -0.25 0.00 -2.93 0.00 0.00 61.98 60.09 2kct s VAL 103 Cb 0.00 -3.69 -0.07 0.00 -1.53 0.00 0.00 36.38 31.08 2kct s VAL 103 CO 0.00 0.06 0.77 -1.61 -3.33 0.00 0.00 175.10 170.99 2kct s GLU 104 N -2.36 4.54 0.07 1.54 2.02 -1.26 -1.13 118.70 122.12 2kct s GLU 104 Ca 0.56 1.13 0.02 0.00 0.02 0.00 0.00 54.97 56.70 2kct s GLU 104 Cb -0.24 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 2kct s GLU 104 CO 0.30 0.50 -0.07 0.14 0.02 0.00 0.00 175.26 176.15 2kct s VAL 105 N -0.88 0.64 -0.31 2.63 -7.23 -0.91 -1.29 120.40 113.05 2kct s VAL 105 Ca 0.36 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2kct s VAL 105 Cb -0.22 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.58 2kct s VAL 105 CO 0.25 -0.64 0.01 -0.63 -0.31 0.00 0.00 175.10 173.79 2kct s ILE 106 N -2.57 2.93 -0.17 -0.62 1.01 0.00 -3.14 121.20 118.64 2kct s ILE 106 Ca 0.02 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.07 2kct s ILE 106 Cb -0.02 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 2kct s ILE 106 CO -0.02 -0.18 0.12 0.27 0.00 0.00 0.00 174.94 175.12 2kct s ILE 107 N 1.21 5.29 -0.06 2.92 -4.36 -1.09 -1.85 121.20 123.26 2kct s ILE 107 Ca -0.03 0.14 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 2kct s ILE 107 Cb -0.20 -3.38 0.01 0.00 1.25 0.00 0.00 42.46 40.14 2kct s ILE 107 CO -0.02 0.49 -0.13 -1.61 0.24 0.00 0.00 174.94 173.91 2kct s GLU 108 N 0.00 1.77 0.00 0.37 2.02 -0.77 -1.61 118.70 120.48 2kct s GLU 108 Ca 0.09 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2kct s GLU 108 Cb -0.11 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2kct s GLU 108 CO -0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2kct n GLY 109 N 3.70 -0.99 3.64 -1.39 0.00 -0.35 -0.73 105.19 109.06 2kct n GLY 109 Ca -0.22 0.57 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 0.22 -0.18 -0.02 0.00 -0.60 -1.62 107.32 105.12 2kct s GLY 110 Ca 0.00 3.23 -0.16 0.00 0.00 0.00 0.00 44.72 47.79 2kct s GLY 110 CO 0.00 1.71 0.41 -2.27 0.00 0.00 0.00 173.10 172.95 2kct s LEU 111 N -0.23 4.18 0.15 0.66 2.96 -1.26 -1.03 118.68 124.11 2kct s LEU 111 Ca 0.07 0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 54.29 2kct s LEU 111 Cb -0.04 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.03 2kct s LEU 111 CO -0.12 -0.06 0.82 0.00 -1.32 0.00 0.00 176.35 175.66 2kct s ALA 112 N 1.15 3.40 0.12 5.97 0.00 -1.25 -4.97 121.76 126.18 2kct s ALA 112 Ca 0.20 0.40 0.33 0.00 0.00 0.00 0.00 51.96 52.89 2kct s ALA 112 Cb -0.15 -3.03 1.62 0.00 0.00 0.00 0.00 23.12 21.56 2kct s ALA 112 CO 0.08 0.20 1.99 -1.00 0.00 0.00 0.00 175.76 177.03 2kct h PRO 113 N 4.70 0.00 0.00 0.00 0.13 -1.98 -2.69 132.00 132.16 2kct h PRO 113 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.68 0.00 -0.48 0.41 -0.23 0.00 0.00 178.00 178.38 2kct n GLY 114 N -0.72 0.13 3.20 1.56 0.00 -1.26 -4.96 105.19 103.14 2kct n GLY 114 Ca -0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.89 3.14 0.53 1.61 2.12 -1.01 -5.02 118.70 118.18 2kct s GLU 115 Ca 0.03 -0.76 0.32 0.00 0.36 0.00 0.00 54.97 54.92 2kct s GLU 115 Cb 0.07 -2.70 1.30 0.00 0.26 0.00 0.00 34.13 33.05 2kct s GLU 115 CO 0.36 -0.17 1.96 0.38 -0.54 0.00 0.00 175.26 177.26 2kct h ASP 116 N 7.88 0.00 -3.31 -1.70 2.03 -1.93 -3.31 116.42 116.07 2kct h ASP 116 Ca -0.42 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.31 2kct h ASP 116 Cb 1.16 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.60 2kct h ASP 116 CO 0.62 0.05 0.01 0.28 -1.03 0.00 0.00 179.24 179.16 2kct s THR 117 N -3.69 4.86 -0.34 1.15 -1.32 -1.26 -4.46 115.64 110.57 2kct s THR 117 Ca 0.01 1.29 -0.29 0.00 -1.21 0.00 0.00 61.69 61.49 2kct s THR 117 Cb 0.09 -3.95 0.01 0.00 -1.51 0.00 0.00 72.50 67.14 2kct s THR 117 CO 0.56 0.43 1.29 0.12 -2.21 0.00 0.00 174.62 174.81 2kct s PHE 118 N -0.31 2.68 -0.84 9.09 2.19 0.28 -4.32 117.98 126.76 2kct s PHE 118 Ca 0.32 0.85 -0.22 0.00 0.33 0.00 0.00 56.93 58.20 2kct s PHE 118 Cb -0.19 -4.01 0.08 0.00 -1.31 0.00 0.00 43.02 37.59 2kct s PHE 118 CO 0.18 -1.64 1.17 0.21 1.83 0.00 0.00 175.22 176.97 2kct s LYS 119 N 4.29 3.38 -0.16 10.12 2.20 -0.19 -0.46 119.74 138.92 2kct s LYS 119 Ca 0.55 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 2kct s LYS 119 Cb -0.15 -4.69 -0.00 0.00 -1.51 0.00 0.00 37.83 31.48 2kct s LYS 119 CO 0.25 -1.93 1.04 0.00 -0.36 0.00 0.00 175.35 174.34 2kct s ALA 120 N 4.04 3.53 0.00 3.13 0.00 -0.27 -1.55 121.76 130.64 2kct s ALA 120 Ca 0.32 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 2kct s ALA 120 Cb -0.08 -3.49 -0.34 0.00 0.00 0.00 0.00 23.12 19.20 2kct s ALA 120 CO 0.00 -0.81 0.95 -0.09 0.00 0.00 0.00 175.76 175.81 2kct h ARG 121 N 7.29 0.48 -4.69 0.00 9.65 -1.23 -3.14 114.38 122.73 2kct h ARG 121 Ca -0.26 -0.81 -0.44 0.00 -1.10 0.00 0.00 59.98 57.37 2kct h ARG 121 Cb 1.11 0.30 -0.31 0.00 -1.39 0.00 0.00 29.97 29.69 2kct h ARG 121 CO 0.91 1.39 -0.79 0.95 2.80 0.00 0.00 179.97 185.23 2kct s THR 122 N -2.55 0.86 -0.10 0.20 -4.23 -0.52 -4.79 115.64 104.51 2kct s THR 122 Ca -0.11 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2kct s THR 122 Cb 0.03 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 2kct s THR 122 CO 0.91 0.26 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.92 2kct s LEU 123 N 0.14 2.83 -0.26 4.79 2.96 -1.26 -1.85 118.68 126.02 2kct s LEU 123 Ca -0.03 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2kct s LEU 123 Cb -0.08 -1.62 0.09 0.00 0.50 0.00 0.00 46.19 45.07 2kct s LEU 123 CO 0.01 0.24 0.10 -0.32 -1.32 0.00 0.00 176.35 175.05 2kct s MET 124 N -0.08 0.44 0.31 1.98 -2.45 -0.77 -5.00 119.30 113.73 2kct s MET 124 Ca -0.01 -0.64 -0.29 0.00 -1.25 0.00 0.00 55.69 53.50 2kct s MET 124 Cb -0.14 -1.69 -0.10 0.00 1.25 0.00 0.00 34.83 34.16 2kct s MET 124 CO 0.03 -0.90 1.14 0.95 1.05 0.00 0.00 175.02 177.30 2kct s THR 125 N 1.90 3.32 0.03 10.11 -4.23 -1.26 -0.82 115.64 124.68 2kct s THR 125 Ca 0.07 1.28 -0.23 0.00 -1.18 0.00 0.00 61.69 61.63 2kct s THR 125 Cb -0.17 -3.80 -0.16 0.00 1.34 0.00 0.00 72.50 69.72 2kct s THR 125 CO -0.25 0.27 1.40 0.11 -0.54 0.00 0.00 174.62 175.62 2kct h LYS 126 N 3.53 0.19 -6.52 3.99 1.79 -1.55 -3.43 116.57 114.57 2kct h LYS 126 Ca -0.47 -0.08 -0.53 0.00 -2.18 0.00 0.00 60.65 57.39 2kct h LYS 126 Cb 1.22 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2kct h LYS 126 CO 0.66 0.52 0.51 0.00 -1.08 0.00 0.00 179.45 180.06 2kct n PRO 128 N 3.50 0.13 -1.87 0.00 -0.04 -1.26 -4.91 135.00 130.54 2kct n PRO 128 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 2kct n PRO 128 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 2kct n PRO 128 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kct s LEU 129 N 0.00 3.30 0.00 1.53 2.96 -1.26 -4.91 118.68 120.31 2kct s LEU 129 Ca 0.00 0.50 0.18 0.00 -0.22 0.00 0.00 54.13 54.59 2kct s LEU 129 Cb 0.00 -2.52 0.15 0.00 0.50 0.00 0.00 46.19 44.31 2kct s LEU 129 CO 0.00 -2.62 1.08 1.21 -1.32 0.00 0.00 176.35 174.70