#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vkr s ILE 2 N 0.00 2.55 -0.11 -0.61 2.07 -1.07 -4.93 121.20 119.10 2vkr s ILE 2 Ca 0.00 0.52 -0.29 0.00 -1.41 0.00 0.00 60.65 59.47 2vkr s ILE 2 Cb 0.00 -3.33 -0.06 0.00 0.13 0.00 0.00 42.46 39.20 2vkr s ILE 2 CO 0.00 0.11 1.92 -0.62 -1.91 0.00 0.00 174.94 174.44 2vkr s ASP 3 N -0.12 6.17 0.21 4.50 -1.08 -1.26 -4.85 116.67 120.24 2vkr s ASP 3 Ca 0.53 2.14 0.20 0.00 -0.52 0.00 0.00 52.55 54.90 2vkr s ASP 3 Cb -0.42 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.41 2vkr s ASP 3 CO 0.52 -1.35 1.62 -0.81 0.52 0.00 0.00 175.17 175.67 2vkr n PRO 4 N 7.88 0.14 -0.55 4.34 -0.04 -1.26 -1.97 135.00 143.54 2vkr n PRO 4 Ca 0.22 0.43 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 2vkr n PRO 4 Cb 0.43 -1.80 0.24 0.00 -0.04 0.00 0.00 33.50 32.34 2vkr n PRO 4 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vkr n ASN 5 N -2.07 3.56 -0.31 3.54 3.02 -1.26 -4.72 115.26 117.01 2vkr n ASN 5 Ca 0.02 -3.21 0.09 0.00 -0.03 0.00 0.00 54.58 51.45 2vkr n ASN 5 Cb 0.18 -0.58 0.31 0.00 -0.61 0.00 0.00 39.78 39.08 2vkr n ASN 5 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2vkr h TYR 6 N 1.59 0.98 -0.23 3.10 -0.00 -1.79 0.11 116.97 120.73 2vkr h TYR 6 Ca 0.07 0.03 0.07 0.00 -0.00 0.00 0.00 58.73 58.90 2vkr h TYR 6 Cb 1.54 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 37.95 2vkr h TYR 6 CO 0.65 0.39 0.18 0.00 -0.00 0.00 0.00 178.16 179.38 2vkr h ARG 7 N 0.85 0.00 0.00 0.10 3.08 -1.85 1.13 114.38 117.68 2vkr h ARG 7 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2vkr h ARG 7 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2vkr h ARG 7 CO -0.23 0.00 -1.75 0.25 -1.07 0.00 0.00 179.97 177.17 2vkr n THR 8 N -4.32 0.00 0.36 2.04 -2.24 0.21 -4.45 114.28 105.89 2vkr n THR 8 Ca 0.03 -0.39 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 2vkr n THR 8 Cb 0.33 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 2vkr n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vkr n SER 9 N -2.08 1.13 -4.86 3.42 3.41 -0.25 -4.97 113.62 109.42 2vkr n SER 9 Ca -0.02 -0.51 -0.32 0.00 -0.26 0.00 0.00 58.87 57.76 2vkr n SER 9 Cb 0.49 1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 65.58 2vkr n SER 9 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2vkr s ARG 10 N -2.39 3.27 0.08 4.33 1.81 0.38 -5.02 118.95 121.41 2vkr s ARG 10 Ca 0.01 -0.43 -0.16 0.00 -1.72 0.00 0.00 55.73 53.43 2vkr s ARG 10 Cb 0.09 -2.98 -0.06 0.00 -0.45 0.00 0.00 34.95 31.54 2vkr s ARG 10 CO 0.50 0.64 0.51 -0.65 -0.68 0.00 0.00 175.30 175.62 2vkr s GLN 11 N -2.05 4.03 -0.32 3.54 -1.52 -1.26 -4.83 119.66 117.24 2vkr s GLN 11 Ca 0.28 0.54 -0.29 0.00 -1.95 0.00 0.00 55.36 53.94 2vkr s GLN 11 Cb -0.12 -3.12 0.02 0.00 -0.22 0.00 0.00 33.01 29.56 2vkr s GLN 11 CO 0.20 0.60 1.11 0.08 -0.25 0.00 0.00 175.29 177.03 2vkr s VAL 12 N -1.23 4.44 -1.22 1.09 1.01 -1.26 -0.65 120.40 122.57 2vkr s VAL 12 Ca 0.30 1.65 0.23 0.00 0.00 0.00 0.00 61.98 64.16 2vkr s VAL 12 Cb -0.17 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 2vkr s VAL 12 CO 0.17 -0.51 1.13 1.33 0.00 0.00 0.00 175.10 177.23 2vkr n VAL 13 N 5.97 0.00 -3.37 2.92 0.24 -0.65 -4.92 118.33 118.52 2vkr n VAL 13 Ca 0.12 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2vkr n VAL 13 Cb 0.47 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2vkr n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vkr n GLY 14 N 1.47 -0.82 3.39 7.63 0.00 -1.23 -5.02 105.19 110.61 2vkr n GLY 14 Ca 0.06 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2vkr n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vkr s GLU 15 N -0.73 1.44 -0.09 1.61 2.02 -1.26 -1.29 118.70 120.39 2vkr s GLU 15 Ca 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 2vkr s GLU 15 Cb 0.00 -1.61 0.04 0.00 0.10 0.00 0.00 34.13 32.67 2vkr s GLU 15 CO 0.00 0.33 0.09 -1.58 0.02 0.00 0.00 175.26 174.12 2vkr s HIS 16 N -1.98 0.05 -1.67 1.61 2.46 0.30 -4.81 115.29 111.24 2vkr s HIS 16 Ca 0.20 0.13 -0.17 0.00 0.47 0.00 0.00 55.06 55.69 2vkr s HIS 16 Cb -0.06 -0.51 0.14 0.00 -0.13 0.00 0.00 32.58 32.02 2vkr s HIS 16 CO 0.09 -0.32 0.75 1.04 -2.47 0.00 0.00 174.74 173.83 2vkr n GLN 17 N 5.30 -3.18 0.00 2.88 1.13 -1.26 0.02 117.38 122.28 2vkr n GLN 17 Ca -0.05 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 2vkr n GLN 17 Cb 0.50 -5.03 0.00 0.00 0.11 0.00 0.00 30.24 25.82 2vkr n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vkr n GLY 18 N -1.47 1.98 3.58 1.08 0.00 -1.26 -4.94 105.19 104.15 2vkr n GLY 18 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2vkr n GLY 18 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2vkr s HIS 19 N -2.41 2.65 0.73 1.61 -3.43 0.10 -5.11 115.29 109.44 2vkr s HIS 19 Ca 0.00 -0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 2vkr s HIS 19 Cb 0.00 -1.29 0.03 0.00 -1.43 0.00 0.00 32.58 29.89 2vkr s HIS 19 CO 0.00 0.51 1.07 0.15 -2.00 0.00 0.00 174.74 174.48 2vkr s LYS 20 N -2.85 2.65 -0.11 -0.38 1.02 -1.26 0.11 119.74 118.91 2vkr s LYS 20 Ca 0.25 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.32 2vkr s LYS 20 Cb -0.09 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2vkr s LYS 20 CO 0.15 -1.33 -0.22 0.08 -0.92 0.00 0.00 175.35 173.11 2vkr s VAL 21 N -2.98 2.22 -0.24 3.17 1.01 -0.41 -1.73 120.40 121.44 2vkr s VAL 21 Ca 0.59 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2vkr s VAL 21 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2vkr s VAL 21 CO 0.55 0.55 0.13 -0.31 0.00 0.00 0.00 175.10 176.03 2vkr s TYR 22 N 0.43 3.24 1.00 5.22 2.02 0.14 -1.64 117.35 127.76 2vkr s TYR 22 Ca -0.16 0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 2vkr s TYR 22 Cb -0.17 -2.25 0.23 0.00 -0.40 0.00 0.00 41.96 39.37 2vkr s TYR 22 CO 0.07 -0.05 1.32 0.41 -1.57 0.00 0.00 175.55 175.73 2vkr n GLY 23 N 4.43 -1.61 3.83 0.71 0.00 0.18 -0.02 105.19 112.71 2vkr n GLY 23 Ca -0.15 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 2vkr n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vkr s PRO 24 N -5.88 3.65 0.04 1.61 0.04 -1.26 -4.43 135.00 128.77 2vkr s PRO 24 Ca 0.75 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.88 2vkr s PRO 24 Cb -0.02 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2vkr s PRO 24 CO 0.53 -0.53 -0.17 0.14 0.04 0.00 0.00 177.00 177.02 2vkr s VAL 25 N -2.62 1.33 -0.37 -0.36 -7.23 -1.26 -2.87 120.40 107.02 2vkr s VAL 25 Ca 0.60 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2vkr s VAL 25 Cb -0.12 -1.18 0.17 0.00 0.56 0.00 0.00 36.38 35.81 2vkr s VAL 25 CO 0.36 0.10 0.49 -0.62 -0.31 0.00 0.00 175.10 175.12 2vkr s ASP 26 N -1.12 -0.13 0.68 4.85 2.15 0.12 -4.98 116.67 118.24 2vkr s ASP 26 Ca 0.04 -1.02 -0.16 0.00 0.43 0.00 0.00 52.55 51.84 2vkr s ASP 26 Cb -0.08 1.25 0.01 0.00 -0.30 0.00 0.00 42.92 43.80 2vkr s ASP 26 CO 0.01 -0.24 1.17 -2.84 -0.17 0.00 0.00 175.17 173.11 2vkr s PRO 27 N 1.81 2.51 0.00 4.34 0.02 -1.25 -1.48 135.00 140.95 2vkr s PRO 27 Ca 0.15 1.65 0.21 0.00 0.02 0.00 0.00 61.00 63.04 2vkr s PRO 27 Cb -0.10 -1.89 0.58 0.00 0.02 0.00 0.00 34.50 33.11 2vkr s PRO 27 CO -0.10 -1.53 1.47 -0.35 -0.33 0.00 0.00 177.00 176.17 2vkr n PRO 28 N -2.40 2.07 0.01 5.54 -0.04 -1.26 -4.85 135.00 134.07 2vkr n PRO 28 Ca 0.12 -1.61 -0.06 0.00 -0.04 0.00 0.00 63.50 61.91 2vkr n PRO 28 Cb 0.51 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 2vkr n PRO 28 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2vkr h LYS 29 N 3.17 0.00 -4.93 0.54 6.56 -1.70 -3.34 116.57 116.88 2vkr h LYS 29 Ca 0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 2vkr h LYS 29 Cb 0.70 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.00 2vkr h LYS 29 CO 0.00 0.52 -0.84 0.08 -2.06 0.00 0.00 179.45 177.15 2vkr s VAL 30 N -2.70 1.98 -0.20 0.50 1.01 -0.55 -4.62 120.40 115.82 2vkr s VAL 30 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2vkr s VAL 30 Cb 0.08 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2vkr s VAL 30 CO 0.82 0.38 0.64 0.18 0.00 0.00 0.00 175.10 177.12 2vkr n LEU 31 N 4.61 1.32 0.00 3.92 4.77 -1.26 0.12 117.00 130.47 2vkr n LEU 31 Ca -0.18 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2vkr n LEU 31 Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2vkr n LEU 31 CO 0.24 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2vkr n GLY 32 N 0.02 -0.19 3.55 -0.72 0.00 -1.14 -4.77 105.19 101.94 2vkr n GLY 32 Ca 0.01 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2vkr n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vkr s ILE 33 N 0.00 3.93 -0.18 -0.61 1.01 0.97 -1.56 121.20 124.77 2vkr s ILE 33 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 2vkr s ILE 33 Cb 0.00 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2vkr s ILE 33 CO 0.00 0.54 0.05 -1.00 0.00 0.00 0.00 174.94 174.53 2vkr s HIS 34 N -0.14 3.21 0.00 3.97 3.76 0.04 0.27 115.29 126.40 2vkr s HIS 34 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2vkr s HIS 34 Cb -0.13 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.50 2vkr s HIS 34 CO 0.02 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 2vkr n GLY 35 N 3.58 2.48 0.95 -2.22 0.00 -0.71 -1.24 105.19 108.03 2vkr n GLY 35 Ca -0.17 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 2vkr n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vkr n THR 36 N 1.27 0.49 -0.05 2.61 -1.04 -1.26 -4.53 114.28 111.77 2vkr n THR 36 Ca 0.00 0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 2vkr n THR 36 Cb 0.00 -1.57 -0.07 0.00 -1.82 0.00 0.00 70.33 66.88 2vkr n THR 36 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2vkr h ILE 37 N -0.07 1.31 -3.84 12.58 2.04 -1.92 -3.41 117.51 124.21 2vkr h ILE 37 Ca -0.03 -1.11 -0.66 0.00 1.00 0.00 0.00 64.86 64.05 2vkr h ILE 37 Cb 0.72 1.72 -0.37 0.00 -0.74 0.00 0.00 36.82 38.15 2vkr h ILE 37 CO -0.02 0.33 -0.80 -0.69 0.00 0.00 0.00 178.15 176.97 2vkr s VAL 38 N -4.57 2.10 -0.21 1.67 1.01 -1.26 -1.58 120.40 117.55 2vkr s VAL 38 Ca -0.14 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 2vkr s VAL 38 Cb 0.05 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2vkr s VAL 38 CO 0.74 -0.06 0.19 -0.83 0.00 0.00 0.00 175.10 175.14 2vkr s GLY 39 N 1.13 2.05 -0.18 4.51 0.00 0.37 -4.34 107.32 110.85 2vkr s GLY 39 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.93 2vkr s GLY 39 CO -0.05 0.36 -0.19 0.14 0.00 0.00 0.00 173.10 173.36 2vkr s VAL 40 N 0.76 2.16 -0.57 1.40 1.01 -0.38 -0.78 120.40 124.01 2vkr s VAL 40 Ca 0.10 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2vkr s VAL 40 Cb -0.13 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.38 2vkr s VAL 40 CO 0.03 0.52 0.95 -0.62 0.00 0.00 0.00 175.10 175.98 2vkr s ASP 41 N 1.30 6.31 0.56 3.32 -1.08 -0.30 -0.78 116.67 126.00 2vkr s ASP 41 Ca 0.05 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 51.94 2vkr s ASP 41 Cb -0.13 -2.44 1.68 0.00 -1.46 0.00 0.00 42.92 40.57 2vkr s ASP 41 CO -0.12 -1.27 2.16 -0.26 0.52 0.00 0.00 175.17 176.19 2vkr h PHE 42 N 9.37 0.00 0.00 -5.34 -1.00 -1.59 0.18 116.94 118.56 2vkr h PHE 42 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2vkr h PHE 42 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 2vkr h PHE 42 CO 0.93 0.06 -0.07 -0.25 -1.61 0.00 0.00 178.31 177.37 2vkr n ASP 43 N -3.57 0.27 -0.08 2.17 10.43 -1.26 -3.68 116.55 120.83 2vkr n ASP 43 Ca -0.02 0.43 -0.10 0.00 2.57 0.00 0.00 54.79 57.67 2vkr n ASP 43 Cb 0.18 -0.47 -0.10 0.00 1.84 0.00 0.00 41.12 42.57 2vkr n ASP 43 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2vkr n LEU 44 N -1.70 1.71 -4.65 0.64 4.77 -0.67 -4.84 117.00 112.26 2vkr n LEU 44 Ca 0.06 -0.06 -0.49 0.00 -0.03 0.00 0.00 56.01 55.50 2vkr n LEU 44 Cb 0.36 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2vkr n LEU 44 CO 0.29 0.61 1.17 0.00 -1.33 0.00 0.00 177.39 178.13 2vkr n ILE 46 N 3.54 1.48 -2.85 0.00 -5.35 -1.26 -4.31 119.36 110.61 2vkr n ILE 46 Ca 0.19 -1.37 -0.10 0.00 -0.27 0.00 0.00 62.75 61.19 2vkr n ILE 46 Cb 0.25 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.40 2vkr n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vkr n ALA 47 N -0.08 -0.94 -0.11 -1.28 0.00 -1.26 -4.75 120.51 112.08 2vkr n ALA 47 Ca 0.14 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 2vkr n ALA 47 Cb 0.57 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2vkr n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2vkr h ASP 48 N -1.13 0.80 0.00 0.00 1.82 -1.94 -3.48 116.42 112.50 2vkr h ASP 48 Ca -0.31 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 2vkr h ASP 48 Cb 1.18 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2vkr h ASP 48 CO 0.27 1.06 0.00 0.61 -1.61 0.00 0.00 179.24 179.57 2vkr n GLY 49 N 0.03 0.82 0.22 -0.78 0.00 -1.26 -4.94 105.19 99.27 2vkr n GLY 49 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2vkr n GLY 49 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vkr h SER 50 N 0.00 0.55 -0.80 1.61 0.02 -1.92 -1.78 113.55 111.24 2vkr h SER 50 Ca 0.00 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2vkr h SER 50 Cb 0.00 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 2vkr h SER 50 CO 0.00 0.92 0.51 0.00 -1.14 0.00 0.00 176.83 177.12 2vkr h ILE 52 N 1.02 1.25 0.00 0.00 2.04 -1.86 -1.25 117.51 118.71 2vkr h ILE 52 Ca 0.31 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 2vkr h ILE 52 Cb -0.03 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2vkr h ILE 52 CO -0.10 0.38 -0.39 0.74 0.00 0.00 0.00 178.15 178.79 2vkr h THR 53 N 0.62 0.85 0.00 -0.27 2.02 -0.93 -3.34 112.91 111.85 2vkr h THR 53 Ca 0.11 -1.61 -0.34 0.00 0.77 0.00 0.00 66.41 65.33 2vkr h THR 53 Cb 0.56 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 2vkr h THR 53 CO 0.04 0.38 -2.12 0.00 0.37 0.00 0.00 175.52 174.18 2vkr n ALA 54 N -2.27 1.49 -1.97 6.16 0.00 -0.48 -4.92 120.51 118.51 2vkr n ALA 54 Ca 0.00 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 2vkr n ALA 54 Cb 0.54 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2vkr n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n PRO 56 N 7.15 0.11 -0.29 0.00 -0.04 -1.26 -3.41 135.00 137.26 2vkr n PRO 56 Ca 0.17 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 64.01 2vkr n PRO 56 Cb 0.43 -1.70 0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2vkr n PRO 56 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2vkr n VAL 57 N -1.91 1.61 -3.81 0.52 0.31 -1.26 -5.01 118.33 108.78 2vkr n VAL 57 Ca 0.03 -2.09 -0.32 0.00 -0.01 0.00 0.00 64.34 61.95 2vkr n VAL 57 Cb 0.24 -0.08 0.02 0.00 -0.91 0.00 0.00 33.84 33.11 2vkr n VAL 57 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2vkr n ASN 58 N -1.10 -3.76 -0.07 4.52 4.13 -1.22 -4.90 115.26 112.86 2vkr n ASN 58 Ca 0.14 -1.05 -0.15 0.00 1.68 0.00 0.00 54.58 55.20 2vkr n ASN 58 Cb 0.68 -3.05 -0.05 0.00 -1.54 0.00 0.00 39.78 35.82 2vkr n ASN 58 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2vkr h VAL 59 N -1.98 1.29 -3.04 2.41 2.07 -1.86 -3.41 116.25 111.73 2vkr h VAL 59 Ca -0.66 -1.70 -0.60 0.00 0.82 0.00 0.00 66.70 64.56 2vkr h VAL 59 Cb 1.37 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 2vkr h VAL 59 CO 0.53 0.54 -0.34 -0.36 0.02 0.00 0.00 177.57 177.97 2vkr s PHE 60 N -4.09 3.54 -0.00 1.57 0.08 -1.26 -0.20 117.98 117.61 2vkr s PHE 60 Ca -0.11 0.59 -0.06 0.00 0.12 0.00 0.00 56.93 57.47 2vkr s PHE 60 Cb 0.09 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2vkr s PHE 60 CO 0.87 0.53 0.13 1.14 -0.10 0.00 0.00 175.22 177.78 2vkr s GLN 61 N -2.16 0.43 0.33 0.44 -2.07 -0.79 -4.93 119.66 110.90 2vkr s GLN 61 Ca 0.34 -0.33 -0.29 0.00 -1.82 0.00 0.00 55.36 53.25 2vkr s GLN 61 Cb -0.13 0.18 -0.11 0.00 -1.09 0.00 0.00 33.01 31.85 2vkr s GLN 61 CO 0.20 -0.10 1.56 0.91 -1.32 0.00 0.00 175.29 176.54 2vkr n TRP 62 N 1.68 2.91 -4.01 9.60 5.03 -1.26 -1.94 117.44 129.45 2vkr n TRP 62 Ca -0.21 0.33 -0.21 0.00 3.03 0.00 0.00 57.50 60.44 2vkr n TRP 62 Cb 0.56 -2.57 -0.17 0.00 -1.03 0.00 0.00 31.31 28.10 2vkr n TRP 62 CO 0.00 0.00 0.00 -0.47 -0.03 0.00 0.00 177.69 177.19 2vkr s TYR 63 N -0.42 0.68 0.14 -5.99 6.14 -0.60 -4.86 117.35 112.44 2vkr s TYR 63 Ca 0.60 -0.18 -0.30 0.00 0.64 0.00 0.00 57.07 57.83 2vkr s TYR 63 Cb -0.49 -0.68 -0.07 0.00 0.42 0.00 0.00 41.96 41.15 2vkr s TYR 63 CO 0.54 -0.23 0.97 -0.51 0.64 0.00 0.00 175.55 176.97 2vkr s ASP 64 N 1.25 7.50 -0.44 4.32 -0.00 -1.26 0.03 116.67 128.06 2vkr s ASP 64 Ca -0.06 1.86 0.08 0.00 -0.00 0.00 0.00 52.55 54.42 2vkr s ASP 64 Cb -0.14 -2.59 0.26 0.00 -0.00 0.00 0.00 42.92 40.45 2vkr s ASP 64 CO -0.02 -0.04 0.59 0.35 -0.00 0.00 0.00 175.17 176.05 2vkr n THR 65 N 2.50 0.03 -1.73 -1.27 -2.24 0.50 -4.86 114.28 107.20 2vkr n THR 65 Ca 0.02 -4.33 -0.42 0.00 -2.27 0.00 0.00 64.05 57.05 2vkr n THR 65 Cb 0.48 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.83 2vkr n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2vkr n PRO 66 N 1.18 2.76 -0.52 -0.78 -0.04 -1.18 -2.01 135.00 134.41 2vkr n PRO 66 Ca 0.23 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.68 2vkr n PRO 66 Cb 0.51 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2vkr n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vkr n GLY 67 N 3.15 0.76 3.73 0.55 0.00 -1.26 -4.88 105.19 107.23 2vkr n GLY 67 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2vkr n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vkr s HIS 68 N -2.86 3.63 0.55 1.61 5.04 -0.85 -4.41 115.29 118.00 2vkr s HIS 68 Ca 0.00 1.61 0.39 0.00 -1.54 0.00 0.00 55.06 55.52 2vkr s HIS 68 Cb 0.00 -3.22 2.09 0.00 0.04 0.00 0.00 32.58 31.48 2vkr s HIS 68 CO 0.00 -0.43 2.27 -1.00 -2.34 0.00 0.00 174.74 173.24 2vkr h PRO 69 N 5.71 0.00 0.00 2.88 0.13 -1.83 -2.89 132.00 136.00 2vkr h PRO 69 Ca -0.43 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 2vkr h PRO 69 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2vkr h PRO 69 CO 0.74 0.01 -2.08 0.00 -0.23 0.00 0.00 178.00 176.45 2vkr n ALA 70 N -2.15 1.53 -3.62 -0.56 0.00 -1.26 -5.03 120.51 109.42 2vkr n ALA 70 Ca -0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 53.44 52.31 2vkr n ALA 70 Cb 0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 2vkr n ALA 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vkr s SER 71 N -5.73 -0.08 0.00 0.00 1.04 -1.09 -4.53 113.70 103.31 2vkr s SER 71 Ca -0.08 0.01 0.27 0.00 0.48 0.00 0.00 55.95 56.64 2vkr s SER 71 Cb 0.07 0.08 1.14 0.00 0.10 0.00 0.00 66.02 67.41 2vkr s SER 71 CO 0.83 -0.13 1.79 -0.62 0.98 0.00 0.00 173.24 176.08 2vkr n GLU 72 N 0.02 1.55 -3.61 4.02 -0.58 -1.26 -3.94 120.64 116.84 2vkr n GLU 72 Ca 0.02 -0.81 -0.10 0.00 -0.42 0.00 0.00 57.16 55.85 2vkr n GLU 72 Cb 0.57 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 2vkr n GLU 72 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2vkr s LYS 73 N -1.97 1.44 0.19 3.49 -2.85 -1.26 0.19 119.74 118.97 2vkr s LYS 73 Ca 0.38 -0.70 -0.00 0.00 -1.00 0.00 0.00 55.97 54.65 2vkr s LYS 73 Cb 0.20 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.51 2vkr s LYS 73 CO 0.32 -0.64 0.08 0.15 0.10 0.00 0.00 175.35 175.37 2vkr s LYS 74 N -3.82 1.16 -0.54 1.78 3.01 0.10 -4.35 119.74 117.08 2vkr s LYS 74 Ca 0.05 -1.59 -0.26 0.00 -1.01 0.00 0.00 55.97 53.16 2vkr s LYS 74 Cb -0.02 0.07 0.03 0.00 -1.01 0.00 0.00 37.83 36.90 2vkr s LYS 74 CO -0.05 -0.30 1.04 0.00 0.51 0.00 0.00 175.35 176.56 2vkr s ALA 75 N -3.97 3.12 -0.18 5.17 0.00 -1.26 -1.55 121.76 123.08 2vkr s ALA 75 Ca 0.32 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 2vkr s ALA 75 Cb 0.07 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2vkr s ALA 75 CO 0.08 -2.40 0.38 0.34 0.00 0.00 0.00 175.76 174.16 2vkr s ASP 76 N 2.73 6.47 -1.51 0.00 2.15 -0.82 -4.88 116.67 120.80 2vkr s ASP 76 Ca 0.38 0.55 -0.11 0.00 0.43 0.00 0.00 52.55 53.80 2vkr s ASP 76 Cb -0.10 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.24 2vkr s ASP 76 CO 0.24 -0.02 2.68 -0.81 -0.17 0.00 0.00 175.17 177.09 2vkr n PRO 77 N 4.15 3.30 0.20 4.34 -0.04 -1.26 -1.88 135.00 143.81 2vkr n PRO 77 Ca -0.09 -2.25 0.07 0.00 -0.04 0.00 0.00 63.50 61.19 2vkr n PRO 77 Cb 0.51 -2.91 0.34 0.00 -0.04 0.00 0.00 33.50 31.40 2vkr n PRO 77 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2vkr h ILE 78 N 3.35 0.72 -0.89 0.52 2.10 -1.82 -3.02 117.51 118.46 2vkr h ILE 78 Ca 0.76 -1.43 -0.60 0.00 1.08 0.00 0.00 64.86 64.67 2vkr h ILE 78 Cb 0.38 1.92 -0.32 0.00 -1.09 0.00 0.00 36.82 37.72 2vkr h ILE 78 CO 1.80 0.31 0.35 0.59 -1.08 0.00 0.00 178.15 180.12 2vkr n ASN 79 N -3.42 6.32 0.16 2.19 5.03 0.72 -4.76 115.26 121.51 2vkr n ASN 79 Ca 0.00 -3.77 0.15 0.00 0.87 0.00 0.00 54.58 51.84 2vkr n ASN 79 Cb 0.50 -0.78 0.73 0.00 -1.02 0.00 0.00 39.78 39.22 2vkr n ASN 79 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 2vkr h GLU 80 N 1.91 0.00 0.00 3.52 4.11 -1.69 -0.75 114.58 121.68 2vkr h GLU 80 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2vkr h GLU 80 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2vkr h GLU 80 CO 1.26 0.00 0.00 1.96 0.07 0.00 0.00 179.01 182.30 2vkr h GLN 81 N 0.00 0.00 -0.00 1.06 1.08 -1.89 -1.05 115.11 114.31 2vkr h GLN 81 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2vkr h GLN 81 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2vkr h GLN 81 CO -0.00 0.00 -0.21 0.00 -0.95 0.00 0.00 178.83 177.67 2vkr n ALA 82 N -1.81 2.85 -1.72 3.87 0.00 -0.29 -4.94 120.51 118.47 2vkr n ALA 82 Ca 0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2vkr n ALA 82 Cb 0.20 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2vkr n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n ILE 84 N 2.60 0.90 -3.70 0.00 -5.35 -1.26 -4.98 119.36 107.56 2vkr n ILE 84 Ca 0.12 -0.95 -0.24 0.00 -0.27 0.00 0.00 62.75 61.41 2vkr n ILE 84 Cb 0.34 0.58 0.05 0.00 -1.74 0.00 0.00 39.64 38.87 2vkr n ILE 84 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2vkr n PHE 85 N 0.67 -2.26 0.26 4.28 3.72 -1.26 -4.89 117.46 117.98 2vkr n PHE 85 Ca 0.13 0.91 0.14 0.00 -0.05 0.00 0.00 57.45 58.58 2vkr n PHE 85 Cb 0.44 -4.50 0.60 0.00 -0.94 0.00 0.00 39.48 35.08 2vkr n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vkr n MET 87 N -3.25 0.00 -0.09 0.00 2.81 -1.26 -4.93 117.12 110.41 2vkr n MET 87 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 2vkr n MET 87 Cb 0.35 -2.34 0.01 0.00 -0.71 0.00 0.00 33.22 30.52 2vkr n MET 87 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2vkr h ALA 88 N 0.00 0.34 -0.31 3.04 0.00 -1.94 -2.61 119.26 117.79 2vkr h ALA 88 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2vkr h ALA 88 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2vkr h ALA 88 CO 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 179.25 178.99 2vkr h VAL 90 N 0.20 0.38 -0.00 0.00 2.07 -1.75 -0.83 116.25 116.31 2vkr h VAL 90 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2vkr h VAL 90 Cb 0.13 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2vkr h VAL 90 CO -0.17 0.00 -0.17 0.59 0.02 0.00 0.00 177.57 177.84 2vkr n ASN 91 N -5.38 0.47 -0.00 0.57 4.13 -1.18 -3.38 115.26 110.49 2vkr n ASN 91 Ca 0.01 -0.41 0.09 0.00 1.68 0.00 0.00 54.58 55.95 2vkr n ASN 91 Cb 0.30 -0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.35 2vkr n ASN 91 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2vkr n VAL 92 N -1.08 0.00 -2.04 2.41 0.24 -0.81 -4.91 118.33 112.14 2vkr n VAL 92 Ca 0.12 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 2vkr n VAL 92 Cb 0.30 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 2vkr n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vkr h PRO 94 N 8.14 0.00 -0.18 0.00 0.13 -1.91 -2.92 132.00 135.27 2vkr h PRO 94 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2vkr h PRO 94 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2vkr h PRO 94 CO 0.92 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.24 2vkr n VAL 95 N -2.79 0.40 -3.85 1.56 3.14 -1.26 -4.97 118.33 110.56 2vkr n VAL 95 Ca 0.02 -0.70 -0.24 0.00 -2.96 0.00 0.00 64.34 60.46 2vkr n VAL 95 Cb 0.32 0.97 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 2vkr n VAL 95 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vkr n ALA 96 N 0.74 -1.97 1.12 1.55 0.00 -1.10 -4.59 120.51 116.25 2vkr n ALA 96 Ca 0.10 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2vkr n ALA 96 Cb 0.39 -1.82 0.20 0.00 0.00 0.00 0.00 19.45 18.21 2vkr n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vkr n ALA 97 N -4.36 3.45 -2.57 0.00 0.00 -1.26 -2.60 120.51 113.17 2vkr n ALA 97 Ca -0.29 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 2vkr n ALA 97 Cb 0.67 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 2vkr n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vkr s ILE 98 N -2.60 2.67 -0.08 0.00 1.01 -1.26 -1.15 121.20 119.79 2vkr s ILE 98 Ca 0.19 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2vkr s ILE 98 Cb 0.18 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.66 2vkr s ILE 98 CO 0.59 0.58 -0.02 -0.62 0.00 0.00 0.00 174.94 175.47 2vkr s ASP 99 N -0.46 1.67 0.01 3.58 2.15 0.04 -4.72 116.67 118.95 2vkr s ASP 99 Ca 0.05 -0.14 0.07 0.00 0.43 0.00 0.00 52.55 52.96 2vkr s ASP 99 Cb -0.12 -0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 41.93 2vkr s ASP 99 CO 0.01 -0.16 -0.20 0.54 -0.17 0.00 0.00 175.17 175.20 2vkr s VAL 100 N 1.79 2.63 -0.30 1.11 0.11 -1.26 0.14 120.40 124.62 2vkr s VAL 100 Ca 0.03 -1.10 -0.11 0.00 -2.93 0.00 0.00 61.98 57.87 2vkr s VAL 100 Cb -0.13 -2.05 0.15 0.00 -1.53 0.00 0.00 36.38 32.83 2vkr s VAL 100 CO -0.05 0.44 0.78 -0.75 -3.33 0.00 0.00 175.10 172.19 2vkr s LYS 101 N -1.11 0.46 -0.20 1.54 2.20 -0.61 -5.01 119.74 117.00 2vkr s LYS 101 Ca 0.13 1.10 -0.40 0.00 -0.36 0.00 0.00 55.97 56.43 2vkr s LYS 101 Cb -0.10 0.65 -0.17 0.00 -1.51 0.00 0.00 37.83 36.70 2vkr s LYS 101 CO 0.03 -0.22 1.59 -2.30 -0.36 0.00 0.00 175.35 174.09 2vkr n PRO 102 N 5.29 0.93 0.00 4.03 -0.02 -1.26 -4.74 135.00 139.23 2vkr n PRO 102 Ca -0.09 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.74 2vkr n PRO 102 Cb 0.51 -1.98 0.07 0.00 -0.02 0.00 0.00 33.50 32.07 2vkr n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13