#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k12 s ILE 5 N 0.00 2.42 -0.13 1.59 1.01 -1.26 -4.70 121.20 120.13 3k12 s ILE 5 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 3k12 s ILE 5 Cb 0.00 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 3k12 s ILE 5 CO 0.00 0.06 -0.10 -1.61 0.00 0.00 0.00 174.94 173.29 3k12 s GLU 6 N -0.64 3.38 0.10 2.79 2.02 -0.58 -4.97 118.70 120.81 3k12 s GLU 6 Ca 0.59 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 55.03 3k12 s GLU 6 Cb -0.44 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3k12 s GLU 6 CO 0.47 0.27 -0.17 1.03 0.02 0.00 0.00 175.26 176.88 3k12 s ARG 7 N 0.23 1.87 -0.01 1.61 0.52 -1.26 0.03 118.95 121.93 3k12 s ARG 7 Ca -0.07 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 3k12 s ARG 7 Cb -0.15 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 3k12 s ARG 7 CO 0.05 0.49 -0.10 -0.06 0.02 0.00 0.00 175.30 175.70 3k12 s PHE 8 N -1.12 0.92 -0.90 -0.53 0.40 -1.26 -4.87 117.98 110.62 3k12 s PHE 8 Ca 0.18 -0.19 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 3k12 s PHE 8 Cb -0.11 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 3k12 s PHE 8 CO 0.10 -0.04 0.76 0.39 0.70 0.00 0.00 175.22 177.13 3k12 n GLU 9 N 2.99 -1.56 -4.42 0.44 1.02 -1.26 -1.91 120.64 115.93 3k12 n GLU 9 Ca -0.15 1.06 -0.34 0.00 -0.02 0.00 0.00 57.16 57.71 3k12 n GLU 9 Cb 0.56 -5.08 -0.11 0.00 -0.02 0.00 0.00 31.44 26.79 3k12 n GLU 9 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3k12 s VAL 10 N -3.18 3.96 0.34 2.62 1.01 -1.26 -1.71 120.40 122.17 3k12 s VAL 10 Ca 0.20 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3k12 s VAL 10 Cb -0.05 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3k12 s VAL 10 CO 0.78 0.53 0.15 0.68 0.00 0.00 0.00 175.10 177.24 3k12 s VAL 11 N -0.03 0.45 0.35 2.92 -7.23 -0.33 -4.99 120.40 111.53 3k12 s VAL 11 Ca 0.01 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 3k12 s VAL 11 Cb -0.13 -2.49 0.32 0.00 0.56 0.00 0.00 36.38 34.64 3k12 s VAL 11 CO 0.03 0.00 1.84 0.11 -0.31 0.00 0.00 175.10 176.77 3k12 h LYS 12 N 2.09 0.68 0.01 4.82 1.57 -2.05 -2.65 116.57 121.04 3k12 h LYS 12 Ca -0.34 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.19 3k12 h LYS 12 Cb 1.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3k12 h LYS 12 CO 0.54 0.45 -0.93 -0.09 -0.57 0.00 0.00 179.45 178.84 3k12 h ARG 13 N 0.70 0.27 -1.83 3.15 2.43 -2.01 -3.48 114.38 113.61 3k12 h ARG 13 Ca 0.48 -0.31 0.14 0.00 -0.81 0.00 0.00 59.98 59.49 3k12 h ARG 13 Cb 0.80 0.09 -0.19 0.00 -0.42 0.00 0.00 29.97 30.26 3k12 h ARG 13 CO -0.24 1.03 0.61 -0.98 -1.51 0.00 0.00 179.97 178.87 3k12 s ARG 14 N -3.17 0.59 -0.05 0.20 1.70 -1.00 -5.13 118.95 112.11 3k12 s ARG 14 Ca -0.04 -0.12 -0.13 0.00 -0.47 0.00 0.00 55.73 54.98 3k12 s ARG 14 Cb 0.09 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 3k12 s ARG 14 CO 0.85 -0.24 0.33 0.00 -1.08 0.00 0.00 175.30 175.16 3k12 s ALA 15 N -2.30 3.73 -1.59 7.88 0.00 -1.26 -1.19 121.76 127.04 3k12 s ALA 15 Ca 0.04 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.75 3k12 s ALA 15 Cb -0.01 -2.28 0.49 0.00 0.00 0.00 0.00 23.12 21.32 3k12 s ALA 15 CO -0.05 0.48 1.12 0.39 0.00 0.00 0.00 175.76 177.71 3k12 n GLU 16 N 2.02 0.18 -3.64 0.00 -0.58 -0.70 -4.60 120.64 113.33 3k12 n GLU 16 Ca -0.15 0.14 -0.05 0.00 -0.42 0.00 0.00 57.16 56.68 3k12 n GLU 16 Cb 0.53 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 3k12 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k12 s ALA 18 N -2.41 -2.16 -0.17 0.62 0.00 0.17 -1.93 121.76 115.90 3k12 s ALA 18 Ca 0.10 2.08 -0.04 0.00 0.00 0.00 0.00 51.96 54.10 3k12 s ALA 18 Cb 0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 3k12 s ALA 18 CO 0.13 -0.30 -0.02 -1.17 0.00 0.00 0.00 175.76 174.40 3k12 s LEU 19 N 0.92 3.33 -0.32 0.00 0.20 0.10 -0.37 118.68 122.54 3k12 s LEU 19 Ca -0.04 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.68 3k12 s LEU 19 Cb -0.04 -1.81 0.10 0.00 -0.43 0.00 0.00 46.19 44.00 3k12 s LEU 19 CO -0.12 0.15 0.07 -2.28 -0.29 0.00 0.00 176.35 173.88 3k12 s HIS 20 N 0.46 2.72 0.00 5.38 5.65 0.04 -1.53 115.29 128.01 3k12 s HIS 20 Ca -0.02 -2.34 0.00 0.00 0.25 0.00 0.00 55.06 52.95 3k12 s HIS 20 Cb -0.14 -2.28 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 3k12 s HIS 20 CO 0.02 -0.91 0.00 0.41 -0.65 0.00 0.00 174.74 173.62 3k12 n GLY 21 N 4.56 4.31 1.48 1.59 0.00 -1.26 -1.44 105.19 114.42 3k12 n GLY 21 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3k12 n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k12 n ASN 22 N 8.49 3.80 -4.45 1.61 3.02 -1.26 -4.91 115.26 121.56 3k12 n ASN 22 Ca 0.00 -3.36 -0.33 0.00 -0.03 0.00 0.00 54.58 50.85 3k12 n ASN 22 Cb 0.00 -0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 38.37 3k12 n ASN 22 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3k12 s THR 23 N -3.05 3.32 -0.15 3.41 2.01 -0.52 -0.63 115.64 120.03 3k12 s THR 23 Ca 0.49 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 3k12 s THR 23 Cb 0.41 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 3k12 s THR 23 CO 0.08 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 3k12 s VAL 24 N -0.03 3.85 -0.16 3.82 1.01 0.54 -0.78 120.40 128.65 3k12 s VAL 24 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3k12 s VAL 24 Cb -0.14 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3k12 s VAL 24 CO 0.04 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 3k12 s TYR 25 N 0.23 2.83 -0.14 5.22 2.02 0.50 -0.70 117.35 127.31 3k12 s TYR 25 Ca -0.03 -0.92 0.02 0.00 -0.37 0.00 0.00 57.07 55.78 3k12 s TYR 25 Cb -0.14 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 3k12 s TYR 25 CO 0.03 -0.42 -0.21 0.42 -1.57 0.00 0.00 175.55 173.80 3k12 s ILE 26 N 0.82 2.17 0.52 2.71 1.01 -0.26 -0.65 121.20 127.51 3k12 s ILE 26 Ca -0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 3k12 s ILE 26 Cb -0.15 -1.87 0.13 0.00 0.01 0.00 0.00 42.46 40.58 3k12 s ILE 26 CO 0.00 0.55 0.52 0.61 0.00 0.00 0.00 174.94 176.62 3k12 n GLY 27 N 3.99 -2.23 3.68 6.18 0.00 -0.81 -1.44 105.19 114.56 3k12 n GLY 27 Ca -0.20 -1.53 -0.48 0.00 0.00 0.00 0.00 46.02 43.81 3k12 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k12 n GLY 28 N -0.26 1.39 3.41 -0.02 0.00 -1.26 -4.60 105.19 103.85 3k12 n GLY 28 Ca 0.07 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.58 3k12 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k12 s GLN 29 N 3.61 3.54 0.27 1.61 -1.52 -1.26 -5.02 119.66 120.89 3k12 s GLN 29 Ca 0.91 -0.57 0.05 0.00 -1.95 0.00 0.00 55.36 53.80 3k12 s GLN 29 Cb -0.71 -2.98 -0.06 0.00 -0.22 0.00 0.00 33.01 29.04 3k12 s GLN 29 CO 0.50 0.02 -0.00 0.14 -0.25 0.00 0.00 175.29 175.70 3k12 s VAL 30 N 0.94 1.27 0.07 1.09 -7.23 -1.26 -4.26 120.40 111.02 3k12 s VAL 30 Ca 0.00 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 3k12 s VAL 30 Cb -0.15 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 3k12 s VAL 30 CO 0.01 -0.22 1.29 0.00 -0.31 0.00 0.00 175.10 175.87 3k12 s ALA 31 N -3.26 3.49 0.32 1.32 0.00 -1.26 -4.77 121.76 117.61 3k12 s ALA 31 Ca 0.31 0.95 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3k12 s ALA 31 Cb 0.06 -3.50 0.66 0.00 0.00 0.00 0.00 23.12 20.34 3k12 s ALA 31 CO 0.12 -0.57 1.89 -0.44 0.00 0.00 0.00 175.76 176.76 3k12 h ASP 32 N 6.94 0.79 -3.97 0.00 3.32 -1.93 -3.31 116.42 118.25 3k12 h ASP 32 Ca -0.41 0.03 -0.66 0.00 0.02 0.00 0.00 57.03 56.00 3k12 h ASP 32 Cb 1.21 -0.14 -0.39 0.00 0.22 0.00 0.00 39.33 40.23 3k12 h ASP 32 CO 0.84 0.46 -0.62 -0.62 -1.72 0.00 0.00 179.24 177.58 3k12 s ASP 33 N -5.89 4.72 -0.12 6.45 2.15 -1.26 -4.98 116.67 117.74 3k12 s ASP 33 Ca -0.11 -2.55 0.04 0.00 0.43 0.00 0.00 52.55 50.37 3k12 s ASP 33 Cb 0.21 -1.69 0.31 0.00 -0.30 0.00 0.00 42.92 41.45 3k12 s ASP 33 CO 0.79 -0.34 1.12 -0.81 -0.17 0.00 0.00 175.17 175.76 3k12 n PRO 34 N 3.77 2.22 0.07 4.34 -0.04 -1.25 -3.89 135.00 140.24 3k12 n PRO 34 Ca 0.04 -1.24 0.13 0.00 -0.04 0.00 0.00 63.50 62.38 3k12 n PRO 34 Cb 0.38 -1.70 0.31 0.00 -0.04 0.00 0.00 33.50 32.45 3k12 n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k12 n SER 35 N 0.12 0.69 -4.66 3.54 3.41 -1.26 -4.68 113.62 110.77 3k12 n SER 35 Ca 0.15 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.80 3k12 n SER 35 Cb 0.74 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 64.51 3k12 n SER 35 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3k12 s GLY 36 N -3.53 1.64 1.10 5.00 0.00 -1.25 -5.09 107.32 105.19 3k12 s GLY 36 Ca 0.09 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.82 3k12 s GLY 36 CO 0.65 -0.23 1.26 0.51 0.00 0.00 0.00 173.10 175.29 3k12 s ASP 37 N -4.64 1.90 0.26 1.64 1.47 -1.26 -4.72 116.67 111.31 3k12 s ASP 37 Ca 0.66 0.29 -0.05 0.00 1.18 0.00 0.00 52.55 54.62 3k12 s ASP 37 Cb -0.09 -0.30 0.31 0.00 -0.34 0.00 0.00 42.92 42.49 3k12 s ASP 37 CO 0.50 -3.49 1.93 -0.29 0.68 0.00 0.00 175.17 174.50 3k12 h ILE 38 N -2.16 1.23 -0.36 2.11 6.09 -1.95 -0.87 117.51 121.59 3k12 h ILE 38 Ca -0.43 -0.45 -0.02 0.00 -1.37 0.00 0.00 64.86 62.58 3k12 h ILE 38 Cb 1.24 -0.19 -0.02 0.00 0.47 0.00 0.00 36.82 38.32 3k12 h ILE 38 CO 0.30 0.24 0.13 1.56 -3.07 0.00 0.00 178.15 177.31 3k12 h GLN 39 N 1.31 0.55 -0.29 2.19 7.50 -1.93 0.41 115.11 124.85 3k12 h GLN 39 Ca 0.37 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.41 3k12 h GLN 39 Cb -0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 3k12 h GLN 39 CO -0.09 0.55 0.17 0.22 -1.50 0.00 0.00 178.83 178.17 3k12 h ASP 40 N 0.44 0.35 -0.47 1.46 3.58 -1.79 -0.97 116.42 119.01 3k12 h ASP 40 Ca 0.12 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3k12 h ASP 40 Cb 0.21 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3k12 h ASP 40 CO -0.01 0.31 -0.10 1.56 -2.88 0.00 0.00 179.24 178.12 3k12 h GLN 41 N 0.36 0.95 -0.48 0.28 4.20 -0.94 -1.18 115.11 118.29 3k12 h GLN 41 Ca 0.10 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 3k12 h GLN 41 Cb 0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3k12 h GLN 41 CO -0.02 1.00 0.16 1.15 -0.67 0.00 0.00 178.83 180.45 3k12 h THR 42 N 0.85 1.22 -0.25 -0.54 2.02 -0.80 -1.51 112.91 113.90 3k12 h THR 42 Ca 0.14 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3k12 h THR 42 Cb 0.64 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3k12 h THR 42 CO 0.04 0.27 0.12 0.03 0.37 0.00 0.00 175.52 176.35 3k12 h ARG 43 N 0.63 0.36 -0.56 6.66 3.08 -0.90 -0.04 114.38 123.62 3k12 h ARG 43 Ca 0.15 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.24 3k12 h ARG 43 Cb 0.26 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 3k12 h ARG 43 CO -0.01 0.37 0.18 1.96 -1.07 0.00 0.00 179.97 181.40 3k12 h GLN 44 N 0.27 0.33 -0.05 0.04 4.20 -1.03 0.13 115.11 119.01 3k12 h GLN 44 Ca 0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3k12 h GLN 44 Cb 0.12 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3k12 h GLN 44 CO -0.01 0.22 0.00 0.82 -0.67 0.00 0.00 178.83 179.19 3k12 h ILE 45 N 0.34 1.24 -0.35 2.54 2.04 -1.05 -1.34 117.51 120.94 3k12 h ILE 45 Ca 0.28 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3k12 h ILE 45 Cb 0.35 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3k12 h ILE 45 CO -0.31 0.20 0.04 -0.07 0.00 0.00 0.00 178.15 178.02 3k12 h LEU 46 N -0.20 0.49 -0.24 1.44 3.38 -0.79 -0.68 115.31 118.71 3k12 h LEU 46 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k12 h LEU 46 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k12 h LEU 46 CO 0.00 0.53 0.16 -0.33 0.09 0.00 0.00 178.44 178.89 3k12 h GLU 47 N 0.51 0.32 -0.44 1.13 5.08 -0.57 -0.67 114.58 119.93 3k12 h GLU 47 Ca 0.11 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3k12 h GLU 47 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3k12 h GLU 47 CO 0.00 0.22 -0.14 -0.97 -1.00 0.00 0.00 179.01 177.13 3k12 h ASN 48 N 0.33 0.82 -0.67 1.42 -1.24 -0.72 -0.98 115.58 114.54 3k12 h ASN 48 Ca 0.09 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 56.89 3k12 h ASN 48 Cb -0.03 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.75 3k12 h ASN 48 CO -0.02 0.97 0.38 0.40 -1.29 0.00 0.00 177.43 177.87 3k12 h ILE 49 N 0.74 1.00 -0.42 2.57 2.04 -1.02 -0.83 117.51 121.58 3k12 h ILE 49 Ca 0.12 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3k12 h ILE 49 Cb 0.65 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3k12 h ILE 49 CO 0.05 0.13 0.21 -0.78 0.00 0.00 0.00 178.15 177.76 3k12 h ASP 50 N 0.72 0.31 -0.28 1.72 3.58 -0.48 0.77 116.42 122.75 3k12 h ASP 50 Ca 0.29 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 3k12 h ASP 50 Cb 0.14 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3k12 h ASP 50 CO -0.16 0.22 0.14 -0.09 -2.88 0.00 0.00 179.24 176.47 3k12 h ARG 51 N 0.43 0.40 -0.30 0.28 2.43 -0.86 -0.47 114.38 116.29 3k12 h ARG 51 Ca 0.18 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3k12 h ARG 51 Cb 0.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3k12 h ARG 51 CO -0.13 0.39 0.15 -0.07 -1.51 0.00 0.00 179.97 178.80 3k12 h LEU 52 N 0.32 0.40 -0.12 3.80 3.38 -0.86 -1.71 115.31 120.52 3k12 h LEU 52 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k12 h LEU 52 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k12 h LEU 52 CO -0.01 0.40 0.07 -0.07 0.09 0.00 0.00 178.44 178.92 3k12 h LEU 53 N 0.36 0.11 -1.45 1.67 3.38 -0.69 -2.69 115.31 115.99 3k12 h LEU 53 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3k12 h LEU 53 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k12 h LEU 53 CO -0.01 0.08 -0.28 1.56 0.09 0.00 0.00 178.44 179.88 3k12 h GLN 54 N 0.14 0.00 0.00 1.13 4.20 -0.94 -0.21 115.11 119.43 3k12 h GLN 54 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3k12 h GLN 54 Cb -0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k12 h GLN 54 CO -0.02 0.28 -0.03 0.66 -0.67 0.00 0.00 178.83 179.04 3k12 h SER 55 N 0.00 0.00 -0.31 1.46 4.64 -0.96 -1.84 113.55 116.55 3k12 h SER 55 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k12 h SER 55 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3k12 h SER 55 CO 0.04 0.03 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 3k12 n VAL 56 N -3.53 1.21 -0.66 0.95 0.24 -0.87 -4.98 118.33 110.68 3k12 n VAL 56 Ca -0.02 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 3k12 n VAL 56 Cb 0.13 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3k12 n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k12 n GLY 57 N 0.28 0.64 1.62 7.63 0.00 -0.69 -5.03 105.19 109.63 3k12 n GLY 57 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3k12 n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k12 n SER 58 N 0.49 0.91 -3.65 1.61 2.88 -0.14 -4.33 113.62 111.39 3k12 n SER 58 Ca 0.00 -1.64 -0.04 0.00 -1.33 0.00 0.00 58.87 55.86 3k12 n SER 58 Cb 0.00 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 3k12 n SER 58 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3k12 s ASP 59 N -2.48 -0.14 0.00 -3.46 1.47 -1.26 -3.22 116.67 107.58 3k12 s ASP 59 Ca 0.25 -0.50 0.15 0.00 1.18 0.00 0.00 52.55 53.63 3k12 s ASP 59 Cb -0.02 0.52 0.68 0.00 -0.34 0.00 0.00 42.92 43.75 3k12 s ASP 59 CO 0.16 -0.97 1.46 -2.11 0.68 0.00 0.00 175.17 174.38 3k12 n ARG 60 N -0.52 0.08 -0.03 2.11 1.85 -1.26 -1.20 116.66 117.68 3k12 n ARG 60 Ca -0.06 0.21 0.13 0.00 -1.00 0.00 0.00 57.85 57.13 3k12 n ARG 60 Cb 0.60 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 31.00 3k12 n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k12 n GLY 61 N 0.02 0.06 0.21 2.89 0.00 -1.26 -4.17 105.19 102.93 3k12 n GLY 61 Ca 0.05 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.71 3k12 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k12 n GLN 62 N 0.17 2.13 -2.83 1.61 6.02 -0.34 -4.96 117.38 119.18 3k12 n GLN 62 Ca 0.18 -2.27 -0.36 0.00 -0.01 0.00 0.00 57.00 54.54 3k12 n GLN 62 Cb 0.33 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 3k12 n GLN 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k12 s VAL 63 N -2.18 4.29 -0.18 5.09 1.01 -1.26 -0.42 120.40 126.76 3k12 s VAL 63 Ca 0.24 1.70 -0.07 0.00 0.00 0.00 0.00 61.98 63.84 3k12 s VAL 63 Cb 0.20 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 3k12 s VAL 63 CO 0.04 0.08 -0.21 0.18 0.00 0.00 0.00 175.10 175.19 3k12 n LEU 64 N 0.41 1.60 -3.86 3.92 4.77 0.33 -4.33 117.00 119.83 3k12 n LEU 64 Ca 0.02 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3k12 n LEU 64 Cb 0.51 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 3k12 n LEU 64 CO 0.43 0.45 -0.25 -0.94 -1.33 0.00 0.00 177.39 175.76 3k12 s SER 65 N -6.39 -0.03 -0.08 -1.43 1.04 -0.57 -2.10 113.70 104.15 3k12 s SER 65 Ca -0.24 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.20 3k12 s SER 65 Cb 0.09 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.43 3k12 s SER 65 CO 0.32 -0.15 -0.05 -0.69 0.98 0.00 0.00 173.24 173.66 3k12 s VAL 66 N -0.49 0.69 -0.19 5.02 1.01 0.14 -1.44 120.40 125.15 3k12 s VAL 66 Ca -0.06 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 3k12 s VAL 66 Cb -0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3k12 s VAL 66 CO 0.00 0.30 0.53 -0.60 0.00 0.00 0.00 175.10 175.33 3k12 s ARG 67 N 1.55 4.22 -0.23 2.72 6.06 -0.08 -2.06 118.95 131.12 3k12 s ARG 67 Ca -0.00 0.44 -0.01 0.00 -2.50 0.00 0.00 55.73 53.66 3k12 s ARG 67 Cb -0.13 -3.54 0.02 0.00 0.06 0.00 0.00 34.95 31.36 3k12 s ARG 67 CO -0.04 -0.11 -0.09 0.42 -2.50 0.00 0.00 175.30 172.98 3k12 s ILE 68 N 1.50 2.78 -0.31 4.11 1.01 -0.13 -1.33 121.20 128.83 3k12 s ILE 68 Ca 0.25 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3k12 s ILE 68 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 3k12 s ILE 68 CO 0.10 0.30 0.14 -0.76 0.00 0.00 0.00 174.94 174.72 3k12 s LEU 69 N 1.34 4.07 -0.16 2.97 1.43 0.25 -2.10 118.68 126.47 3k12 s LEU 69 Ca 0.02 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 3k12 s LEU 69 Cb -0.16 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3k12 s LEU 69 CO -0.06 -0.19 -0.04 -0.22 0.23 0.00 0.00 176.35 176.07 3k12 s LEU 70 N 1.60 3.20 0.17 1.79 2.96 -0.37 -1.02 118.68 127.01 3k12 s LEU 70 Ca 0.04 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3k12 s LEU 70 Cb -0.17 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.77 3k12 s LEU 70 CO 0.06 0.15 1.41 0.00 -1.32 0.00 0.00 176.35 176.65 3k12 h ALA 71 N 6.82 0.55 -3.47 5.97 0.00 -1.17 -0.79 119.26 127.18 3k12 h ALA 71 Ca -0.31 -0.63 -0.34 0.00 0.00 0.00 0.00 54.91 53.63 3k12 h ALA 71 Cb 1.19 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.58 3k12 h ALA 71 CO 0.62 0.78 -0.74 -1.01 0.00 0.00 0.00 179.25 178.90 3k12 s HIS 72 N -3.53 0.19 0.29 0.00 3.76 -1.26 -4.65 115.29 110.09 3k12 s HIS 72 Ca -0.05 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 3k12 s HIS 72 Cb 0.10 -0.37 0.63 0.00 1.11 0.00 0.00 32.58 34.05 3k12 s HIS 72 CO 0.84 -0.13 1.81 -0.09 -0.85 0.00 0.00 174.74 176.32 3k12 h ARG 73 N 7.49 0.87 0.00 1.40 2.43 -1.99 -1.10 114.38 123.48 3k12 h ARG 73 Ca -0.38 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3k12 h ARG 73 Cb 1.13 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3k12 h ARG 73 CO 0.42 0.57 0.00 -0.85 -1.51 0.00 0.00 179.97 178.61 3k12 n GLU 74 N -4.69 0.05 0.00 0.20 0.00 -1.26 -1.90 120.64 113.05 3k12 n GLU 74 Ca 0.21 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.89 3k12 n GLU 74 Cb 0.45 -1.62 0.38 0.00 0.00 0.00 0.00 31.44 30.64 3k12 n GLU 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3k12 n ASP 75 N -1.72 1.54 -0.08 -1.84 8.00 -0.42 -4.49 116.55 117.55 3k12 n ASP 75 Ca 0.02 -1.34 -0.09 0.00 0.71 0.00 0.00 54.79 54.09 3k12 n ASP 75 Cb 0.13 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3k12 n ASP 75 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3k12 h TYR 76 N 2.21 0.37 -0.98 1.24 3.20 -1.50 -1.29 116.97 120.23 3k12 h TYR 76 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3k12 h TYR 76 Cb 0.58 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3k12 h TYR 76 CO 0.00 0.28 0.63 0.00 -1.64 0.00 0.00 178.16 177.43 3k12 h ALA 77 N 1.06 1.24 -0.57 1.82 0.00 -1.82 -1.53 119.26 119.47 3k12 h ALA 77 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3k12 h ALA 77 Cb 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3k12 h ALA 77 CO -0.02 0.65 0.06 0.78 0.00 0.00 0.00 179.25 180.73 3k12 h GLY 78 N 1.33 1.03 0.56 0.00 0.00 -1.76 -0.30 103.07 103.93 3k12 h GLY 78 Ca 0.36 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 47.02 3k12 h GLY 78 CO -0.07 0.66 -0.00 -2.00 0.00 0.00 0.00 176.54 175.12 3k12 h LEU 79 N 0.85 -0.11 -0.95 3.11 5.85 -0.97 -2.76 115.31 120.32 3k12 h LEU 79 Ca 0.17 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3k12 h LEU 79 Cb 0.46 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3k12 h LEU 79 CO 0.02 -0.02 -0.46 0.78 -0.34 0.00 0.00 178.44 178.41 3k12 h ASN 80 N 0.08 0.00 -0.18 1.25 2.35 -0.96 -1.47 115.58 116.66 3k12 h ASN 80 Ca 0.13 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3k12 h ASN 80 Cb 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3k12 h ASN 80 CO -0.23 0.46 0.01 -0.61 -1.65 0.00 0.00 177.43 175.42 3k12 h GLN 81 N 0.00 0.07 -0.16 0.81 4.15 -0.78 0.10 115.11 119.30 3k12 h GLN 81 Ca -0.00 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 3k12 h GLN 81 Cb 0.92 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 3k12 h GLN 81 CO 0.06 0.05 -0.13 0.28 -1.93 0.00 0.00 178.83 177.16 3k12 h VAL 82 N 0.07 1.33 -0.70 2.39 2.07 -1.28 -2.90 116.25 117.24 3k12 h VAL 82 Ca 0.08 -1.25 0.15 0.00 0.82 0.00 0.00 66.70 66.50 3k12 h VAL 82 Cb 0.10 1.81 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 3k12 h VAL 82 CO -0.13 0.37 0.11 -0.25 0.02 0.00 0.00 177.57 177.69 3k12 h TRP 83 N 0.01 0.16 0.00 1.57 2.91 -1.11 -0.39 115.95 119.11 3k12 h TRP 83 Ca 0.03 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3k12 h TRP 83 Cb 0.64 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 3k12 h TRP 83 CO 0.08 -0.11 0.00 -0.44 -1.03 0.00 0.00 178.44 176.93 3k12 h ASP 84 N 0.21 0.00 0.06 2.65 3.32 -0.92 -2.65 116.42 119.10 3k12 h ASP 84 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3k12 h ASP 84 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3k12 h ASP 84 CO -0.52 0.00 -0.26 0.00 -1.72 0.00 0.00 179.24 176.74 3k12 n GLN 85 N -2.68 1.35 -0.13 3.56 6.02 -0.20 -4.65 117.38 120.65 3k12 n GLN 85 Ca 0.01 -0.99 -0.23 0.00 -0.01 0.00 0.00 57.00 55.78 3k12 n GLN 85 Cb 0.27 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 3k12 n GLN 85 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 3k12 n TRP 86 N 0.04 0.00 -3.68 1.08 -0.00 -0.91 -5.01 117.44 108.97 3k12 n TRP 86 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.29 3k12 n TRP 86 Cb 0.44 -0.98 -0.05 0.00 -0.00 0.00 0.00 31.31 30.71 3k12 n TRP 86 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 3k12 s PHE 87 N -2.51 3.56 0.51 5.87 0.08 -1.25 -5.06 117.98 119.18 3k12 s PHE 87 Ca -0.36 0.64 -0.22 0.00 0.12 0.00 0.00 56.93 57.10 3k12 s PHE 87 Cb 0.12 -2.05 -0.07 0.00 -0.57 0.00 0.00 43.02 40.45 3k12 s PHE 87 CO 0.54 0.54 1.17 -0.35 -0.10 0.00 0.00 175.22 177.01 3k12 n PRO 88 N 0.79 1.46 -1.67 0.24 -0.04 -1.26 -4.85 135.00 129.67 3k12 n PRO 88 Ca -0.08 0.54 -0.46 0.00 -0.04 0.00 0.00 63.50 63.45 3k12 n PRO 88 Cb 0.52 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 3k12 n PRO 88 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3k12 n GLU 89 N -0.57 2.12 -0.49 0.54 2.13 -1.26 -1.57 120.64 121.53 3k12 n GLU 89 Ca 0.10 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3k12 n GLU 89 Cb 0.43 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.61 3k12 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k12 n GLY 90 N 3.42 1.97 0.41 8.31 0.00 -1.26 -4.84 105.19 113.20 3k12 n GLY 90 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 3k12 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k12 n ARG 91 N -2.00 2.67 -1.87 1.61 1.74 -0.61 -5.01 116.66 113.19 3k12 n ARG 91 Ca 0.00 -1.79 -0.39 0.00 -0.77 0.00 0.00 57.85 54.91 3k12 n ARG 91 Cb 0.00 -1.17 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 3k12 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k12 s ALA 92 N -0.97 3.02 0.77 7.54 0.00 -1.25 -4.73 121.76 126.14 3k12 s ALA 92 Ca 0.15 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 3k12 s ALA 92 Cb 0.08 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3k12 s ALA 92 CO 0.10 -1.17 1.10 -1.25 0.00 0.00 0.00 175.76 174.54 3k12 s PRO 93 N -2.67 2.36 0.65 0.00 0.04 -1.26 -5.01 135.00 129.10 3k12 s PRO 93 Ca 0.66 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 3k12 s PRO 93 Cb -0.40 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3k12 s PRO 93 CO 0.49 -1.42 1.25 0.95 0.04 0.00 0.00 177.00 178.31 3k12 s THR 94 N -3.21 2.25 0.08 1.26 -4.23 -0.89 -4.85 115.64 106.05 3k12 s THR 94 Ca 0.60 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 3k12 s THR 94 Cb -0.13 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 3k12 s THR 94 CO 0.53 -0.04 0.19 0.00 -0.54 0.00 0.00 174.62 174.76 3k12 s ARG 95 N -3.45 0.81 -0.12 3.99 1.70 -1.26 -0.69 118.95 119.93 3k12 s ARG 95 Ca 0.80 -0.89 -0.04 0.00 -0.47 0.00 0.00 55.73 55.12 3k12 s ARG 95 Cb -0.34 0.33 0.06 0.00 -0.57 0.00 0.00 34.95 34.43 3k12 s ARG 95 CO 0.39 -0.25 0.24 0.00 -1.08 0.00 0.00 175.30 174.59 3k12 s ALA 96 N -3.58 -0.47 -0.08 7.88 0.00 -0.87 -4.95 121.76 119.68 3k12 s ALA 96 Ca 0.03 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3k12 s ALA 96 Cb 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 3k12 s ALA 96 CO -0.09 -0.56 -0.24 0.00 0.00 0.00 0.00 175.76 174.86 3k12 s SER 98 N 0.16 0.08 0.07 0.00 1.04 -0.89 -5.00 113.70 109.14 3k12 s SER 98 Ca -0.13 -1.23 -0.21 0.00 0.48 0.00 0.00 55.95 54.86 3k12 s SER 98 Cb -0.16 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.34 3k12 s SER 98 CO 0.07 -0.93 0.61 -0.76 0.98 0.00 0.00 173.24 173.20 3k12 s LEU 99 N -3.11 4.51 -0.01 2.42 1.43 -1.26 -1.24 118.68 121.42 3k12 s LEU 99 Ca 0.33 1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 3k12 s LEU 99 Cb 0.05 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.31 3k12 s LEU 99 CO 0.11 0.22 0.20 0.00 0.23 0.00 0.00 176.35 177.11 3k12 s ALA 100 N -0.86 -0.50 -0.23 4.21 0.00 -0.30 -4.84 121.76 119.24 3k12 s ALA 100 Ca 0.31 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 3k12 s ALA 100 Cb -0.20 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 3k12 s ALA 100 CO 0.20 -0.22 0.87 -2.00 0.00 0.00 0.00 175.76 174.60 3k12 s GLU 101 N -1.32 4.21 0.41 0.00 2.12 -1.26 -4.06 118.70 118.80 3k12 s GLU 101 Ca -0.14 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.24 3k12 s GLU 101 Cb -0.07 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 3k12 s GLU 101 CO 0.03 -0.51 0.61 -0.51 -0.54 0.00 0.00 175.26 174.33 3k12 s LEU 102 N 2.81 3.75 0.14 2.70 1.43 -1.26 -5.02 118.68 123.22 3k12 s LEU 102 Ca 0.37 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 3k12 s LEU 102 Cb -0.15 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 3k12 s LEU 102 CO 0.08 -0.61 1.57 0.40 0.23 0.00 0.00 176.35 178.02 3k12 h ILE 103 N 0.55 1.26 -3.71 -0.59 1.08 -1.97 -3.40 117.51 110.74 3k12 h ILE 103 Ca -0.46 -1.08 -0.63 0.00 -0.39 0.00 0.00 64.86 62.30 3k12 h ILE 103 Cb 1.25 1.08 -0.15 0.00 -3.07 0.00 0.00 36.82 35.93 3k12 h ILE 103 CO 0.56 0.37 -0.49 -0.62 -0.69 0.00 0.00 178.15 177.28 3k12 s ASP 104 N -6.32 6.09 0.27 1.72 -1.08 -1.26 -4.97 116.67 111.13 3k12 s ASP 104 Ca -0.13 0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 3k12 s ASP 104 Cb 0.11 -2.12 1.02 0.00 -1.46 0.00 0.00 42.92 40.47 3k12 s ASP 104 CO 0.81 0.01 1.64 -2.65 0.52 0.00 0.00 175.17 175.50 3k12 n PRO 105 N 4.64 0.15 0.21 4.34 -0.02 -1.26 -1.74 135.00 141.32 3k12 n PRO 105 Ca -0.14 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3k12 n PRO 105 Cb 0.52 -1.89 0.21 0.00 -0.02 0.00 0.00 33.50 32.32 3k12 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k12 h ARG 106 N 0.00 0.00 -6.41 -0.52 3.08 -1.93 -3.45 114.38 105.15 3k12 h ARG 106 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3k12 h ARG 106 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3k12 h ARG 106 CO 0.00 0.12 0.62 -1.58 -1.07 0.00 0.00 179.97 178.06 3k12 s TRP 107 N -3.23 3.31 -0.47 3.04 0.51 -0.71 -4.78 118.94 116.61 3k12 s TRP 107 Ca 0.05 1.25 0.22 0.00 -2.12 0.00 0.00 56.10 55.50 3k12 s TRP 107 Cb 0.06 -3.43 -0.10 0.00 -0.81 0.00 0.00 33.47 29.19 3k12 s TRP 107 CO 0.67 -1.33 0.86 0.54 -0.51 0.00 0.00 176.95 177.18 3k12 n ARG 108 N 4.51 0.38 -3.53 4.98 1.74 -1.26 -4.69 116.66 118.79 3k12 n ARG 108 Ca 0.10 -0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 3k12 n ARG 108 Cb 0.46 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 3k12 n ARG 108 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k12 s VAL 109 N -3.28 0.00 0.30 1.55 0.11 -1.26 -0.91 120.40 116.91 3k12 s VAL 109 Ca 0.01 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 3k12 s VAL 109 Cb 0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3k12 s VAL 109 CO 0.84 0.00 0.26 1.21 -3.33 0.00 0.00 175.10 174.08 3k12 n GLU 110 N 0.76 0.38 -3.65 1.54 2.13 -0.19 -4.56 120.64 117.05 3k12 n GLU 110 Ca -0.17 -3.03 0.01 0.00 0.66 0.00 0.00 57.16 54.64 3k12 n GLU 110 Cb 0.58 2.49 -0.06 0.00 0.27 0.00 0.00 31.44 34.72 3k12 n GLU 110 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3k12 s ILE 112 N -3.22 0.00 -0.03 6.31 1.01 -0.44 -0.58 121.20 124.25 3k12 s ILE 112 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.06 3k12 s ILE 112 Cb 0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3k12 s ILE 112 CO 0.26 0.00 -0.17 -0.69 0.00 0.00 0.00 174.94 174.34 3k12 s VAL 113 N 1.10 1.36 -0.07 2.92 1.01 -0.52 -0.90 120.40 125.29 3k12 s VAL 113 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3k12 s VAL 113 Cb -0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3k12 s VAL 113 CO -0.11 0.39 -0.24 -0.69 0.00 0.00 0.00 175.10 174.45 3k12 s VAL 114 N -0.21 2.16 0.13 2.92 1.01 -0.52 -1.10 120.40 124.79 3k12 s VAL 114 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 3k12 s VAL 114 Cb -0.09 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3k12 s VAL 114 CO 0.00 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.72 3k12 s ALA 115 N -0.02 0.92 0.23 5.51 0.00 0.12 -0.52 121.76 128.00 3k12 s ALA 115 Ca -0.08 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.43 3k12 s ALA 115 Cb -0.15 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3k12 s ALA 115 CO 0.05 -0.46 0.37 0.00 0.00 0.00 0.00 175.76 175.72 3k12 s ALA 116 N -3.99 3.89 -0.49 0.00 0.00 0.44 -0.34 121.76 121.27 3k12 s ALA 116 Ca 0.24 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3k12 s ALA 116 Cb 0.07 -1.83 0.15 0.00 0.00 0.00 0.00 23.12 21.51 3k12 s ALA 116 CO 0.02 0.30 0.31 0.50 0.00 0.00 0.00 175.76 176.89 3k12 s ARG 117 N -3.76 1.51 0.24 0.00 3.00 0.20 -4.68 118.95 115.46 3k12 s ARG 117 Ca 0.36 -2.34 0.11 0.00 -1.00 0.00 0.00 55.73 52.86 3k12 s ARG 117 Cb -0.10 -2.46 -0.05 0.00 0.00 0.00 0.00 34.95 32.35 3k12 s ARG 117 CO 0.30 -1.22 -0.15 -1.21 0.00 0.00 0.00 175.30 173.01 3k12 s GLU 118 N -0.11 1.83 0.30 5.12 0.41 -1.26 -4.75 118.70 120.23 3k12 s GLU 118 Ca 0.22 -1.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 3k12 s GLU 118 Cb -0.15 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 3k12 s GLU 118 CO -0.07 0.37 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 3k12 n GLY 119 N -0.38 -2.18 2.41 -1.39 0.00 -1.26 -4.65 105.19 97.74 3k12 n GLY 119 Ca -0.08 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 3k12 n GLY 119 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3k12 n HIS 120 N -1.01 2.53 -3.39 1.61 -0.00 -1.26 -5.05 115.22 108.64 3k12 n HIS 120 Ca 0.00 -3.98 -0.37 0.00 0.46 0.00 0.00 57.72 53.83 3k12 n HIS 120 Cb 0.04 -0.49 -0.06 0.00 -0.12 0.00 0.00 29.99 29.36 3k12 n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 3k12 s HIS 121 N -2.26 3.49 -0.01 1.57 3.76 -1.26 -5.06 115.29 115.51 3k12 s HIS 121 Ca 0.40 0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 56.05 3k12 s HIS 121 Cb 0.18 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 3k12 s HIS 121 CO -0.05 0.19 0.20 -1.01 -0.85 0.00 0.00 174.74 173.22 3k12 s HIS 122 N 0.58 3.56 0.00 1.40 3.76 -1.26 -4.47 115.29 118.86 3k12 s HIS 122 Ca 0.23 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 3k12 s HIS 122 Cb -0.14 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3k12 s HIS 122 CO 0.08 0.65 0.16 0.72 -0.85 0.00 0.00 174.74 175.49