#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 3.08 -0.05 -5.12 0.00 -1.26 -5.09 121.76 113.32 2kct s ALA 44 Ca 0.00 -2.58 -0.30 0.00 0.00 0.00 0.00 51.96 49.08 2kct s ALA 44 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2kct s ALA 44 CO 0.00 -1.78 1.31 0.95 0.00 0.00 0.00 175.76 176.24 2kct s THR 45 N 0.99 4.02 0.27 0.00 -4.23 -1.26 -5.01 115.64 110.42 2kct s THR 45 Ca 0.10 1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 61.65 2kct s THR 45 Cb -0.21 -3.87 -0.12 0.00 1.34 0.00 0.00 72.50 69.64 2kct s THR 45 CO -0.05 -0.03 1.57 -2.65 -0.54 0.00 0.00 174.62 172.92 2kct n PRO 46 N 5.57 2.56 -1.78 3.99 -0.02 -1.26 -4.83 135.00 139.22 2kct n PRO 46 Ca 0.12 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 62.32 2kct n PRO 46 Cb 0.45 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2kct n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kct s GLN 47 N -0.34 2.01 -0.37 -0.52 1.11 -1.26 -4.92 119.66 115.37 2kct s GLN 47 Ca 0.66 0.11 -0.21 0.00 0.01 0.00 0.00 55.36 55.93 2kct s GLN 47 Cb -0.53 -4.92 0.01 0.00 -1.01 0.00 0.00 33.01 26.56 2kct s GLN 47 CO 0.47 -4.01 0.66 0.16 0.01 0.00 0.00 175.29 172.59 2kct s ASP 48 N 9.54 6.43 -0.01 5.90 -4.77 -1.26 -4.91 116.67 127.60 2kct s ASP 48 Ca 0.82 0.12 0.04 0.00 -3.30 0.00 0.00 52.55 50.24 2kct s ASP 48 Cb -0.10 -2.34 -0.25 0.00 -1.09 0.00 0.00 42.92 39.15 2kct s ASP 48 CO 0.04 -0.64 0.81 0.50 0.70 0.00 0.00 175.17 176.59 2kct h LYS 49 N 8.52 0.12 -0.75 2.11 1.63 -2.04 -3.38 116.57 122.78 2kct h LYS 49 Ca -0.26 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2kct h LYS 49 Cb 1.11 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2kct h LYS 49 CO 0.86 0.88 0.00 1.47 -3.45 0.00 0.00 179.45 179.21 2kct n LEU 50 N -3.29 0.75 -4.50 5.20 -0.00 -1.26 -4.77 117.00 109.13 2kct n LEU 50 Ca -0.15 -0.37 -0.27 0.00 -0.00 0.00 0.00 56.01 55.22 2kct n LEU 50 Cb 1.03 -0.37 -0.07 0.00 -0.00 0.00 0.00 43.42 44.00 2kct n LEU 50 CO 0.47 0.19 1.46 0.00 -0.00 0.00 0.00 177.39 179.51 2kct n HIS 51 N -0.00 2.30 -4.33 1.47 1.44 -1.26 -4.87 115.22 109.97 2kct n HIS 51 Ca 0.00 -1.23 -0.24 0.00 -2.01 0.00 0.00 57.72 54.24 2kct n HIS 51 Cb 0.19 -2.54 -0.13 0.00 0.12 0.00 0.00 29.99 27.63 2kct n HIS 51 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2kct s THR 52 N 11.81 1.66 -0.32 0.61 -4.23 -1.26 -4.92 115.64 119.00 2kct s THR 52 Ca 0.70 -1.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2kct s THR 52 Cb -0.00 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2kct s THR 52 CO 0.15 -0.03 0.08 -0.69 -0.54 0.00 0.00 174.62 173.58 2kct s VAL 53 N -1.11 3.68 -0.44 2.29 1.01 -0.48 -4.91 120.40 120.44 2kct s VAL 53 Ca 0.06 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 2kct s VAL 53 Cb -0.10 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.30 2kct s VAL 53 CO 0.04 -0.08 0.43 -0.60 0.00 0.00 0.00 175.10 174.89 2kct s ARG 54 N 1.41 3.05 -0.17 2.72 3.52 -1.26 -2.34 118.95 125.86 2kct s ARG 54 Ca -0.01 -0.97 -0.03 0.00 -0.13 0.00 0.00 55.73 54.59 2kct s ARG 54 Cb -0.19 -4.03 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 2kct s ARG 54 CO 0.02 -0.93 -0.07 -1.17 -0.81 0.00 0.00 175.30 172.34 2kct s LEU 55 N 2.00 2.93 -0.01 -0.88 0.20 -0.32 -4.97 118.68 117.64 2kct s LEU 55 Ca 0.09 -0.30 -0.05 0.00 0.69 0.00 0.00 54.13 54.56 2kct s LEU 55 Cb -0.19 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2kct s LEU 55 CO 0.11 0.09 0.21 -0.36 -0.29 0.00 0.00 176.35 176.11 2kct s PHE 56 N 0.82 3.57 -1.30 5.38 0.40 -1.26 -1.56 117.98 124.03 2kct s PHE 56 Ca -0.02 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2kct s PHE 56 Cb -0.15 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.48 2kct s PHE 56 CO 0.01 0.64 0.00 0.41 0.70 0.00 0.00 175.22 176.99 2kct n GLY 57 N 1.12 -0.58 3.15 4.36 0.00 -0.80 -3.63 105.19 108.80 2kct n GLY 57 Ca -0.12 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.26 0.13 2.61 2.01 -0.48 -1.18 115.64 116.99 2kct s THR 58 Ca 0.00 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2kct s THR 58 Cb 0.00 -1.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 2kct s THR 58 CO 0.00 0.31 1.14 -0.69 -0.69 0.00 0.00 174.62 174.70 2kct s VAL 59 N -0.44 3.95 0.32 3.82 1.01 -0.20 -1.23 120.40 127.63 2kct s VAL 59 Ca 0.06 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 2kct s VAL 59 Cb -0.06 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2kct s VAL 59 CO -0.00 0.20 1.07 0.00 0.00 0.00 0.00 175.10 176.37 2kct s ALA 60 N 0.33 3.28 -0.17 5.51 0.00 -0.97 -1.92 121.76 127.81 2kct s ALA 60 Ca 0.53 0.80 0.16 0.00 0.00 0.00 0.00 51.96 53.45 2kct s ALA 60 Cb -0.29 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2kct s ALA 60 CO 0.33 -0.15 1.36 0.00 0.00 0.00 0.00 175.76 177.30 2kct h ALA 61 N 3.33 0.68 -2.38 0.00 0.00 -1.92 -3.38 119.26 115.58 2kct h ALA 61 Ca -0.47 -0.47 -0.77 0.00 0.00 0.00 0.00 54.91 53.19 2kct h ALA 61 Cb 1.21 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 2kct h ALA 61 CO 0.65 0.62 -0.09 0.34 0.00 0.00 0.00 179.25 180.77 2kct s ASP 62 N -6.33 6.42 0.00 0.00 2.15 -1.26 -4.63 116.67 113.02 2kct s ASP 62 Ca 0.03 -2.15 0.00 0.00 0.43 0.00 0.00 52.55 50.86 2kct s ASP 62 Cb 0.08 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2kct s ASP 62 CO 0.75 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2kct n GLY 63 N 4.74 0.73 3.21 2.66 0.00 -1.26 -4.85 105.19 110.42 2kct n GLY 63 Ca -0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.20 -0.03 0.99 0.20 -1.26 -1.63 118.68 116.74 2kct s LEU 64 Ca 0.00 0.83 -0.01 0.00 0.69 0.00 0.00 54.13 55.64 2kct s LEU 64 Cb 0.00 1.18 0.03 0.00 -0.43 0.00 0.00 46.19 46.97 2kct s LEU 64 CO 0.00 -0.21 0.05 -0.89 -0.29 0.00 0.00 176.35 175.02 2kct s THR 65 N 1.84 -0.09 0.35 3.68 2.01 -0.11 -5.00 115.64 118.32 2kct s THR 65 Ca -0.06 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2kct s THR 65 Cb -0.10 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 2kct s THR 65 CO -0.12 0.13 0.52 -0.04 -0.69 0.00 0.00 174.62 174.42 2kct s MET 66 N 1.60 3.26 -0.55 4.92 1.00 -1.26 -1.24 119.30 127.04 2kct s MET 66 Ca -0.02 -0.66 -0.24 0.00 0.00 0.00 0.00 55.69 54.77 2kct s MET 66 Cb -0.12 -2.73 0.04 0.00 0.00 0.00 0.00 34.83 32.02 2kct s MET 66 CO -0.03 0.08 0.93 -0.51 0.00 0.00 0.00 175.02 175.49 2kct s LEU 67 N -4.26 4.12 -0.14 -0.03 1.43 -0.77 -4.89 118.68 114.15 2kct s LEU 67 Ca 0.42 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 2kct s LEU 67 Cb -0.10 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2kct s LEU 67 CO 0.34 -1.21 1.92 -1.81 0.23 0.00 0.00 176.35 175.81 2kct s ASP 68 N 2.83 6.10 -0.42 2.29 1.01 -1.26 -1.65 116.67 125.56 2kct s ASP 68 Ca 0.30 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.59 2kct s ASP 68 Cb -0.13 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2kct s ASP 68 CO 0.19 -1.43 0.00 0.61 0.21 0.00 0.00 175.17 174.75 2kct n GLY 69 N 4.99 0.65 3.07 0.21 0.00 -1.26 -5.02 105.19 107.83 2kct n GLY 69 Ca 0.23 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.96 0.91 -1.01 4.61 0.00 -0.66 -5.09 121.76 118.57 2kct s ALA 70 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 2kct s ALA 70 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2kct s ALA 70 CO 0.00 0.19 1.79 -1.25 0.00 0.00 0.00 175.76 176.49 2kct s PRO 71 N -0.57 2.95 0.00 0.00 0.04 -1.26 -4.52 135.00 131.64 2kct s PRO 71 Ca 0.02 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.27 2kct s PRO 71 Cb -0.05 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2kct s PRO 71 CO 0.00 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2kct n GLY 72 N 6.59 1.02 3.52 0.56 0.00 -1.19 -1.56 105.19 114.14 2kct n GLY 72 Ca 0.40 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.12 1.61 0.11 0.06 -1.84 120.40 118.21 2kct s VAL 73 Ca 0.00 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2kct s VAL 73 Cb 0.00 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2kct s VAL 73 CO 0.00 0.01 0.06 -0.60 -3.33 0.00 0.00 175.10 171.24 2kct s ARG 74 N 0.97 3.39 0.31 1.54 3.52 -0.37 -1.31 118.95 127.00 2kct s ARG 74 Ca -0.05 -0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.07 2kct s ARG 74 Cb -0.05 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 2kct s ARG 74 CO -0.09 0.61 0.69 -0.59 -0.81 0.00 0.00 175.30 175.12 2kct s PHE 75 N -0.60 0.05 -0.23 5.12 -0.71 -0.94 -0.93 117.98 119.74 2kct s PHE 75 Ca 0.11 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.38 2kct s PHE 75 Cb -0.12 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2kct s PHE 75 CO 0.02 -1.30 0.08 -0.98 -1.34 0.00 0.00 175.22 171.70 2kct s ARG 76 N -3.41 3.76 -0.33 1.99 1.70 -0.65 -0.39 118.95 121.63 2kct s ARG 76 Ca 0.15 -0.43 -0.26 0.00 -0.47 0.00 0.00 55.73 54.72 2kct s ARG 76 Cb -0.05 -3.33 0.01 0.00 -0.57 0.00 0.00 34.95 31.01 2kct s ARG 76 CO 0.09 -0.07 0.91 -1.17 -1.08 0.00 0.00 175.30 173.99 2kct s LEU 77 N 1.31 4.02 -0.27 -1.89 2.96 0.46 -2.30 118.68 122.97 2kct s LEU 77 Ca 0.05 0.76 -0.25 0.00 -0.22 0.00 0.00 54.13 54.48 2kct s LEU 77 Cb -0.15 -3.27 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 2kct s LEU 77 CO 0.04 -0.76 0.85 -1.61 -1.32 0.00 0.00 176.35 173.55 2kct s GLU 78 N 3.31 4.12 0.82 1.98 2.02 -0.36 -2.68 118.70 127.89 2kct s GLU 78 Ca 0.38 0.88 -0.12 0.00 0.02 0.00 0.00 54.97 56.12 2kct s GLU 78 Cb -0.13 -3.67 0.09 0.00 0.10 0.00 0.00 34.13 30.51 2kct s GLU 78 CO 0.15 -0.60 1.18 0.34 0.02 0.00 0.00 175.26 176.35 2kct s ASP 79 N 1.43 3.62 0.16 -0.19 2.15 -1.07 -1.38 116.67 121.39 2kct s ASP 79 Ca 0.35 2.26 -0.15 0.00 0.43 0.00 0.00 52.55 55.44 2kct s ASP 79 Cb -0.15 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.03 2kct s ASP 79 CO 0.09 -2.64 1.17 0.29 -0.17 0.00 0.00 175.17 173.91 2kct n LYS 80 N -3.45 -0.21 0.00 4.34 5.02 -1.24 -3.93 118.16 118.70 2kct n LYS 80 Ca 0.13 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 2kct n LYS 80 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2kct n LYS 80 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kct n ASP 81 N -5.08 2.51 -4.55 4.39 5.75 -1.26 -4.99 116.55 113.32 2kct n ASP 81 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.45 2kct n ASP 81 Cb 0.28 0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 2kct n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kct s ASN 82 N -2.08 6.09 0.48 -1.12 0.01 -1.25 -4.81 114.94 112.25 2kct s ASN 82 Ca 0.00 -0.71 0.33 0.00 -0.71 0.00 0.00 52.86 51.76 2kct s ASN 82 Cb 0.00 -2.56 1.55 0.00 0.41 0.00 0.00 41.25 40.65 2kct s ASN 82 CO 0.00 -1.87 1.98 0.00 -1.51 0.00 0.00 177.10 175.70 2kct h THR 83 N 6.49 0.00 -0.18 1.60 1.03 -1.94 -2.74 112.91 117.16 2kct h THR 83 Ca -0.09 -0.22 -0.04 0.00 -0.01 0.00 0.00 66.41 66.05 2kct h THR 83 Cb 1.05 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2kct h THR 83 CO 1.32 0.00 -0.04 0.77 -0.01 0.00 0.00 175.52 177.55 2kct h SER 84 N 0.00 0.35 -0.73 0.00 4.64 -1.97 -3.40 113.55 112.44 2kct h SER 84 Ca 0.00 -0.37 -0.46 0.00 -0.47 0.00 0.00 61.79 60.50 2kct h SER 84 Cb 0.25 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 2kct h SER 84 CO 0.00 0.64 1.36 -0.54 -0.87 0.00 0.00 176.83 177.42 2kct s LYS 85 N -4.75 3.08 -0.57 4.77 1.02 -1.03 -4.89 119.74 117.35 2kct s LYS 85 Ca -0.14 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.55 2kct s LYS 85 Cb 0.06 -5.30 0.14 0.00 -0.52 0.00 0.00 37.83 32.22 2kct s LYS 85 CO 0.74 -3.11 0.49 0.95 -0.92 0.00 0.00 175.35 173.50 2kct s THR 86 N 8.05 4.84 -0.09 2.17 -4.23 -1.26 -2.61 115.64 122.50 2kct s THR 86 Ca 0.61 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2kct s THR 86 Cb -0.01 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.70 2kct s THR 86 CO 0.05 -0.87 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.43 2kct s VAL 87 N 1.16 3.02 0.32 2.29 1.01 -1.09 -4.95 120.40 122.16 2kct s VAL 87 Ca 0.07 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2kct s VAL 87 Cb -0.25 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 2kct s VAL 87 CO -0.01 0.56 0.95 0.26 0.00 0.00 0.00 175.10 176.86 2kct s TRP 88 N -0.13 3.69 -0.11 5.22 0.52 -1.21 -0.41 118.94 126.51 2kct s TRP 88 Ca -0.01 1.79 -0.01 0.00 0.02 0.00 0.00 56.10 57.88 2kct s TRP 88 Cb -0.14 -2.95 0.03 0.00 -1.15 0.00 0.00 33.47 29.27 2kct s TRP 88 CO 0.03 0.17 -0.03 0.08 0.02 0.00 0.00 176.95 177.22 2kct s VAL 89 N -1.58 0.74 -0.78 4.03 1.01 0.48 -0.52 120.40 123.78 2kct s VAL 89 Ca 0.50 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 2kct s VAL 89 Cb -0.20 -0.88 0.16 0.00 0.00 0.00 0.00 36.38 35.46 2kct s VAL 89 CO 0.25 0.24 0.85 -0.22 0.00 0.00 0.00 175.10 176.21 2kct s LEU 90 N 1.82 5.84 -0.39 3.92 2.96 -0.06 -2.21 118.68 130.56 2kct s LEU 90 Ca 0.04 -2.11 -0.25 0.00 -0.22 0.00 0.00 54.13 51.59 2kct s LEU 90 Cb -0.13 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.28 2kct s LEU 90 CO -0.07 -0.89 0.88 -0.47 -1.32 0.00 0.00 176.35 174.48 2kct s TYR 91 N 1.69 3.05 -0.20 5.38 5.04 -0.43 -2.01 117.35 129.88 2kct s TYR 91 Ca 0.20 0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 55.40 2kct s TYR 91 Cb -0.13 -3.65 -0.01 0.00 0.35 0.00 0.00 41.96 38.52 2kct s TYR 91 CO -0.04 -0.86 -0.04 0.15 -1.34 0.00 0.00 175.55 173.41 2kct s LYS 92 N 3.42 3.46 0.00 4.97 1.02 -1.16 -0.76 119.74 130.68 2kct s LYS 92 Ca 0.36 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2kct s LYS 92 Cb -0.12 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2kct s LYS 92 CO 0.20 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2kct n GLY 93 N 4.43 2.09 3.60 -3.33 0.00 -0.60 -4.72 105.19 106.66 2kct n GLY 93 Ca -0.18 -1.52 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct n ALA 94 N -1.43 1.51 -2.56 4.61 0.00 -1.26 -3.14 120.51 118.25 2kct n ALA 94 Ca 0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2kct n ALA 94 Cb 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 2kct n ALA 94 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kct s VAL 95 N 6.80 4.50 0.52 0.00 1.01 -1.26 -5.00 120.40 126.97 2kct s VAL 95 Ca 0.99 1.81 -0.22 0.00 0.00 0.00 0.00 61.98 64.56 2kct s VAL 95 Cb -0.49 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 2kct s VAL 95 CO 0.41 -0.15 1.18 -2.65 0.00 0.00 0.00 175.10 173.89 2kct n PRO 96 N 6.35 1.47 0.23 2.72 -0.02 -1.26 -4.92 135.00 139.56 2kct n PRO 96 Ca 0.13 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2kct n PRO 96 Cb 0.46 -2.34 0.54 0.00 -0.02 0.00 0.00 33.50 32.13 2kct n PRO 96 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kct h ASP 97 N 1.31 0.00 0.72 2.55 5.19 -2.01 -2.38 116.42 121.80 2kct h ASP 97 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2kct h ASP 97 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2kct h ASP 97 CO 0.56 0.22 0.00 0.35 -3.12 0.00 0.00 179.24 177.25 2kct n THR 98 N -3.91 0.09 -2.54 0.35 -2.24 -1.26 -4.82 114.28 99.94 2kct n THR 98 Ca -0.02 0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 2kct n THR 98 Cb 0.31 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.77 3.64 0.13 4.78 5.36 -0.90 -4.77 117.98 123.46 2kct s PHE 99 Ca 0.21 1.74 -0.24 0.00 -0.96 0.00 0.00 56.93 57.68 2kct s PHE 99 Cb 0.19 -3.20 0.07 0.00 -0.34 0.00 0.00 43.02 39.74 2kct s PHE 99 CO 0.46 -0.33 0.70 -1.59 -1.46 0.00 0.00 175.22 173.00 2kct s LYS 100 N -1.50 1.21 -0.53 10.12 -2.85 -1.26 -4.98 119.74 119.96 2kct s LYS 100 Ca 0.45 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 2kct s LYS 100 Cb -0.30 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2kct s LYS 100 CO 0.38 -0.54 2.20 -1.25 0.10 0.00 0.00 175.35 176.24 2kct s PRO 101 N -3.59 2.32 0.00 1.78 0.04 -1.26 -2.38 135.00 131.91 2kct s PRO 101 Ca 0.03 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2kct s PRO 101 Cb -0.02 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2kct s PRO 101 CO -0.09 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.31 2kct n GLY 102 N 5.88 1.22 3.73 0.56 0.00 -0.81 -4.55 105.19 111.22 2kct n GLY 102 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.63 3.52 -0.01 1.61 0.11 -1.00 -4.63 120.40 118.36 2kct s VAL 103 Ca 0.00 1.19 -0.30 0.00 -2.93 0.00 0.00 61.98 59.93 2kct s VAL 103 Cb 0.00 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2kct s VAL 103 CO 0.00 0.14 1.31 -1.61 -3.33 0.00 0.00 175.10 171.62 2kct s GLU 104 N 0.36 4.32 0.14 1.54 2.02 -1.26 -1.03 118.70 124.79 2kct s GLU 104 Ca 0.58 1.85 0.07 0.00 0.02 0.00 0.00 54.97 57.48 2kct s GLU 104 Cb -0.34 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2kct s GLU 104 CO 0.34 -0.51 -0.15 0.14 0.02 0.00 0.00 175.26 175.10 2kct s VAL 105 N 2.23 1.48 -0.32 2.63 -7.23 -0.33 -0.56 120.40 118.31 2kct s VAL 105 Ca 0.61 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2kct s VAL 105 Cb -0.29 -1.68 0.06 0.00 0.56 0.00 0.00 36.38 35.03 2kct s VAL 105 CO 0.25 -0.43 0.03 -0.63 -0.31 0.00 0.00 175.10 174.02 2kct s ILE 106 N -2.27 3.00 0.20 -0.62 1.01 -0.26 -1.90 121.20 120.35 2kct s ILE 106 Ca 0.12 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.24 2kct s ILE 106 Cb -0.04 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2kct s ILE 106 CO 0.04 -0.22 0.37 0.27 0.00 0.00 0.00 174.94 175.39 2kct s ILE 107 N 1.22 5.24 -0.06 2.92 -4.36 -0.60 -1.32 121.20 124.24 2kct s ILE 107 Ca -0.02 -0.50 -0.05 0.00 -0.26 0.00 0.00 60.65 59.82 2kct s ILE 107 Cb -0.20 -3.75 0.02 0.00 1.25 0.00 0.00 42.46 39.78 2kct s ILE 107 CO -0.02 -0.18 0.14 -0.70 0.24 0.00 0.00 174.94 174.43 2kct s GLU 108 N -3.38 0.15 0.00 0.37 2.12 -1.00 -1.17 118.70 115.79 2kct s GLU 108 Ca 0.37 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.93 2kct s GLU 108 Cb -0.11 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2kct s GLU 108 CO 0.29 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 2kct n GLY 109 N 3.22 -0.46 3.38 -1.50 0.00 -0.99 -0.31 105.19 108.53 2kct n GLY 109 Ca -0.15 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.38 -0.02 -0.02 0.00 -0.78 -1.38 107.32 104.73 2kct s GLY 110 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.43 2kct s GLY 110 CO 0.00 0.35 -0.22 -2.27 0.00 0.00 0.00 173.10 170.97 2kct s LEU 111 N -1.71 2.04 0.10 0.66 2.96 -1.26 -2.03 118.68 119.44 2kct s LEU 111 Ca -0.08 -0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 2kct s LEU 111 Cb -0.01 -1.13 -0.06 0.00 0.50 0.00 0.00 46.19 45.48 2kct s LEU 111 CO 0.02 0.27 0.85 0.00 -1.32 0.00 0.00 176.35 176.16 2kct s ALA 112 N -0.51 3.34 -0.26 5.97 0.00 -1.26 -5.00 121.76 124.04 2kct s ALA 112 Ca 0.08 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2kct s ALA 112 Cb -0.09 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 2kct s ALA 112 CO -0.01 0.09 2.23 -2.30 0.00 0.00 0.00 175.76 175.77 2kct n PRO 113 N 2.47 1.69 0.00 0.00 -0.02 -1.26 -1.43 135.00 136.46 2kct n PRO 113 Ca -0.01 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2kct n PRO 113 Cb 0.49 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 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 6.00 0.80 3.92 -1.23 0.00 -1.26 -5.10 105.19 108.32 2kct n GLY 114 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.97 3.54 0.00 1.61 2.12 -0.51 -5.03 118.70 119.46 2kct s GLU 115 Ca 0.00 -0.27 0.16 0.00 0.36 0.00 0.00 54.97 55.21 2kct s GLU 115 Cb 0.00 -2.85 0.14 0.00 0.26 0.00 0.00 34.13 31.69 2kct s GLU 115 CO 0.00 0.42 1.02 -0.25 -0.54 0.00 0.00 175.26 175.91 2kct n ASP 116 N -0.42 2.37 -3.80 -1.70 8.00 -1.26 -4.86 116.55 114.88 2kct n ASP 116 Ca -0.04 -1.67 -0.24 0.00 0.71 0.00 0.00 54.79 53.55 2kct n ASP 116 Cb 0.53 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.28 0.54 0.04 -3.53 -1.32 -1.26 -3.33 115.64 105.50 2kct s THR 117 Ca 0.19 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 2kct s THR 117 Cb 0.13 -0.66 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2kct s THR 117 CO 0.20 0.28 0.77 0.12 -2.21 0.00 0.00 174.62 173.78 2kct s PHE 118 N 1.91 3.73 -0.41 9.09 5.36 0.33 -4.74 117.98 133.25 2kct s PHE 118 Ca 0.05 1.47 -0.18 0.00 -0.96 0.00 0.00 56.93 57.31 2kct s PHE 118 Cb -0.12 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 2kct s PHE 118 CO -0.06 0.27 0.49 0.15 -1.46 0.00 0.00 175.22 174.61 2kct s LYS 119 N -0.03 3.27 -0.32 10.12 1.02 -0.86 -0.88 119.74 132.06 2kct s LYS 119 Ca 0.39 -0.54 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 2kct s LYS 119 Cb -0.20 -3.92 -0.01 0.00 -0.52 0.00 0.00 37.83 33.18 2kct s LYS 119 CO 0.23 -0.82 0.62 0.00 -0.92 0.00 0.00 175.35 174.45 2kct s ALA 120 N 2.32 3.51 -0.21 5.17 0.00 -0.85 -1.87 121.76 129.83 2kct s ALA 120 Ca 0.16 -0.71 0.18 0.00 0.00 0.00 0.00 51.96 51.59 2kct s ALA 120 Cb -0.16 -3.10 0.25 0.00 0.00 0.00 0.00 23.12 20.10 2kct s ALA 120 CO 0.15 -1.13 1.54 0.07 0.00 0.00 0.00 175.76 176.38 2kct h ARG 121 N 8.27 0.00 -4.35 0.00 -0.00 -0.95 -3.07 114.38 114.27 2kct h ARG 121 Ca -0.27 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.49 2kct h ARG 121 Cb 1.12 0.00 -0.20 0.00 -0.00 0.00 0.00 29.97 30.89 2kct h ARG 121 CO 0.80 0.32 -0.71 0.95 -0.00 0.00 0.00 179.97 181.33 2kct s THR 122 N -3.11 0.38 -0.05 0.08 -4.23 -0.97 -4.85 115.64 102.89 2kct s THR 122 Ca 0.05 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2kct s THR 122 Cb 0.07 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 73.23 2kct s THR 122 CO 0.71 -0.54 0.01 -0.22 -0.54 0.00 0.00 174.62 174.04 2kct s LEU 123 N -1.85 0.72 -0.43 4.79 2.96 -1.26 -2.38 118.68 121.23 2kct s LEU 123 Ca -0.08 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2kct s LEU 123 Cb -0.06 -0.32 0.12 0.00 0.50 0.00 0.00 46.19 46.42 2kct s LEU 123 CO -0.02 -0.17 0.16 -0.32 -1.32 0.00 0.00 176.35 174.68 2kct s MET 124 N 1.66 1.73 0.22 1.98 -2.45 -0.44 -4.97 119.30 117.04 2kct s MET 124 Ca -0.00 -2.25 -0.30 0.00 -1.25 0.00 0.00 55.69 51.89 2kct s MET 124 Cb -0.13 -3.27 -0.08 0.00 1.25 0.00 0.00 34.83 32.60 2kct s MET 124 CO -0.03 -1.03 1.10 0.95 1.05 0.00 0.00 175.02 177.06 2kct s THR 125 N 0.32 3.73 -0.70 10.11 -4.23 -1.26 -1.10 115.64 122.50 2kct s THR 125 Ca 0.14 1.58 0.23 0.00 -1.18 0.00 0.00 61.69 62.46 2kct s THR 125 Cb -0.22 -4.01 -0.13 0.00 1.34 0.00 0.00 72.50 69.48 2kct s THR 125 CO -0.04 0.31 1.03 1.17 -0.54 0.00 0.00 174.62 176.55 2kct n LYS 126 N 1.93 0.22 -2.93 3.99 3.00 0.28 -4.78 118.16 119.86 2kct n LYS 126 Ca 0.01 -0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2kct n LYS 126 Cb 0.46 -1.56 -0.05 0.00 0.00 0.00 0.00 35.03 33.88 2kct n LYS 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kct s PRO 128 N 3.55 3.74 -0.22 0.00 0.05 -1.26 -4.83 135.00 136.03 2kct s PRO 128 Ca 0.26 -1.62 -0.28 0.00 0.05 0.00 0.00 61.00 59.41 2kct s PRO 128 Cb -0.14 -5.27 -0.04 0.00 0.05 0.00 0.00 34.50 29.09 2kct s PRO 128 CO 0.17 -2.07 2.03 -1.17 0.05 0.00 0.00 177.00 176.01 2kct s LEU 129 N 3.93 3.60 0.00 -3.56 0.20 -1.26 -5.17 118.68 116.42 2kct s LEU 129 Ca 0.44 1.79 0.30 0.00 0.69 0.00 0.00 54.13 57.36 2kct s LEU 129 Cb -0.00 -3.52 1.81 0.00 -0.43 0.00 0.00 46.19 44.05 2kct s LEU 129 CO -0.05 -1.74 2.14 -0.62 -0.29 0.00 0.00 176.35 175.80