#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3j n THR 15 N 0.00 0.00 -0.04 0.00 -2.24 -1.26 -4.84 114.28 105.90 1k3j n THR 15 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1k3j n THR 15 Cb 0.00 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 1k3j n THR 15 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1k3j h GLN 16 N 0.00 0.27 -0.53 -0.78 4.15 -2.06 -2.65 115.11 113.51 1k3j h GLN 16 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1k3j h GLN 16 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1k3j h GLN 16 CO 0.00 0.76 0.29 0.00 -1.93 0.00 0.00 178.83 177.95 1k3j h ARG 17 N -0.18 0.74 -0.65 1.69 3.08 -2.00 -2.41 114.38 114.64 1k3j h ARG 17 Ca 0.01 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1k3j h ARG 17 Cb 0.74 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1k3j h ARG 17 CO 0.04 0.58 0.43 0.35 -1.07 0.00 0.00 179.97 180.30 1k3j h PHE 18 N 0.71 0.82 -0.31 3.04 3.57 -1.88 -1.85 116.94 121.04 1k3j h PHE 18 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1k3j h PHE 18 Cb 0.05 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1k3j h PHE 18 CO -0.01 0.52 0.11 1.25 -2.23 0.00 0.00 178.31 177.94 1k3j h LEU 19 N 0.89 0.44 -0.84 0.59 5.85 -1.06 -2.84 115.31 118.34 1k3j h LEU 19 Ca 0.24 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1k3j h LEU 19 Cb -0.10 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1k3j h LEU 19 CO -0.05 0.51 0.30 0.40 -0.34 0.00 0.00 178.44 179.26 1k3j h ILE 20 N 0.35 1.26 -0.52 4.05 1.08 -1.06 -2.49 117.51 120.17 1k3j h ILE 20 Ca 0.10 -0.82 0.06 0.00 -0.39 0.00 0.00 64.86 63.81 1k3j h ILE 20 Cb 0.22 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 1k3j h ILE 20 CO -0.01 0.33 0.35 -0.08 -0.69 0.00 0.00 178.15 178.06 1k3j h GLU 21 N 1.12 0.46 -0.06 2.37 4.81 -1.17 -1.10 114.58 121.02 1k3j h GLU 21 Ca 0.26 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1k3j h GLU 21 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1k3j h GLU 21 CO -0.02 0.31 -0.23 0.87 -0.73 0.00 0.00 179.01 179.21 1k3j h LYS 22 N 0.48 0.10 -0.36 1.92 1.57 -1.21 -2.78 116.57 116.28 1k3j h LYS 22 Ca 0.23 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1k3j h LYS 22 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1k3j h LYS 22 CO -0.06 0.32 0.14 0.74 -0.57 0.00 0.00 179.45 180.02 1k3j h PHE 23 N 0.09 0.24 0.00 -1.35 -1.00 -1.21 0.83 116.94 114.54 1k3j h PHE 23 Ca 0.02 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 1k3j h PHE 23 Cb 0.45 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1k3j h PHE 23 CO 0.00 0.11 -0.48 0.77 -1.61 0.00 0.00 178.31 177.10 1k3j h SER 24 N 0.29 0.00 -0.22 2.17 0.02 -1.59 -3.12 113.55 111.10 1k3j h SER 24 Ca 0.16 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1k3j h SER 24 Cb 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1k3j h SER 24 CO -0.16 0.48 -0.27 -0.61 -1.14 0.00 0.00 176.83 175.13 1k3j h GLN 25 N 0.00 0.57 -6.66 3.45 4.15 -1.05 -3.44 115.11 112.14 1k3j h GLN 25 Ca -0.00 -0.32 -0.51 0.00 0.77 0.00 0.00 58.65 58.59 1k3j h GLN 25 Cb 0.88 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1k3j h GLN 25 CO 0.06 0.92 0.39 -1.21 -1.93 0.00 0.00 178.83 177.06 1k3j s GLU 26 N -4.25 4.72 -0.35 1.69 2.02 0.20 -5.03 118.70 117.71 1k3j s GLU 26 Ca -0.13 1.54 -0.13 0.00 0.02 0.00 0.00 54.97 56.27 1k3j s GLU 26 Cb 0.07 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 1k3j s GLU 26 CO 0.81 0.28 0.25 -0.65 0.02 0.00 0.00 175.26 175.96 1k3j s GLN 27 N -0.52 3.36 0.12 1.61 1.11 -1.26 -4.88 119.66 119.18 1k3j s GLN 27 Ca 0.45 -0.74 -0.24 0.00 0.01 0.00 0.00 55.36 54.84 1k3j s GLN 27 Cb -0.26 -3.83 -0.07 0.00 -1.01 0.00 0.00 33.01 27.84 1k3j s GLN 27 CO 0.32 -0.52 0.74 0.42 0.01 0.00 0.00 175.29 176.27 1k3j s ILE 28 N 1.70 4.53 -1.40 1.08 -1.09 -1.26 -4.96 121.20 119.79 1k3j s ILE 28 Ca 0.06 1.61 -0.13 0.00 -2.23 0.00 0.00 60.65 59.96 1k3j s ILE 28 Cb -0.18 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1k3j s ILE 28 CO 0.10 0.48 2.46 0.61 -1.23 0.00 0.00 174.94 177.36 1k3j n GLY 29 N 1.86 4.06 0.27 6.18 0.00 -1.26 -4.65 105.19 111.64 1k3j n GLY 29 Ca -0.05 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1k3j n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k3j h GLU 30 N 5.85 0.91 0.00 1.61 4.11 -2.02 -3.41 114.58 121.63 1k3j h GLU 30 Ca 0.66 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.82 1k3j h GLU 30 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1k3j h GLU 30 CO 1.82 0.90 -0.02 0.09 0.07 0.00 0.00 179.01 181.87 1k3j n ASN 31 N -4.33 -0.12 -4.77 3.06 5.03 -1.26 -5.10 115.26 107.77 1k3j n ASN 31 Ca 0.02 -0.92 -0.38 0.00 0.87 0.00 0.00 54.58 54.17 1k3j n ASN 31 Cb 0.29 0.05 -0.02 0.00 -1.02 0.00 0.00 39.78 39.07 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1k3j s ILE 32 N 0.01 3.27 -0.14 2.41 -1.09 -1.26 -1.66 121.20 122.75 1k3j s ILE 32 Ca 0.01 1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 59.35 1k3j s ILE 32 Cb 0.03 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.28 1k3j s ILE 32 CO -0.01 0.07 -0.25 0.52 -1.23 0.00 0.00 174.94 174.04 1k3j n VAL 33 N 0.03 1.30 -3.84 2.92 0.31 0.18 -4.60 118.33 114.64 1k3j n VAL 33 Ca 0.04 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1k3j n VAL 33 Cb 0.47 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1k3j n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k3j s ARG 35 N -3.91 1.54 -0.24 0.00 3.52 0.30 0.38 118.95 120.54 1k3j s ARG 35 Ca 0.12 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 1k3j s ARG 35 Cb 0.01 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 1k3j s ARG 35 CO -0.02 0.33 0.10 0.08 -0.81 0.00 0.00 175.30 174.97 1k3j s VAL 36 N -0.24 4.71 -0.17 7.11 1.01 -0.99 0.15 120.40 131.98 1k3j s VAL 36 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1k3j s VAL 36 Cb -0.08 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1k3j s VAL 36 CO 0.00 0.35 -0.08 -0.63 0.00 0.00 0.00 175.10 174.74 1k3j s ILE 37 N 1.33 1.33 -0.12 2.22 1.01 0.27 -2.52 121.20 124.72 1k3j s ILE 37 Ca 0.06 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1k3j s ILE 37 Cb -0.15 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1k3j s ILE 37 CO 0.05 0.19 1.01 0.00 0.00 0.00 0.00 174.94 176.19 1k3j n THR 39 N 4.65 1.24 1.78 0.00 5.66 -1.25 -3.96 114.28 122.39 1k3j n THR 39 Ca 0.09 -0.73 0.16 0.00 -3.05 0.00 0.00 64.05 60.52 1k3j n THR 39 Cb 0.48 -0.72 0.88 0.00 -1.55 0.00 0.00 70.33 69.41 1k3j n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1k3j n THR 40 N -2.87 0.00 -2.58 1.09 -2.24 -1.26 -4.95 114.28 101.48 1k3j n THR 40 Ca -0.14 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1k3j n THR 40 Cb 0.92 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1k3j n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3j n GLY 41 N 1.10 -1.09 0.98 3.38 0.00 -1.25 -5.00 105.19 103.30 1k3j n GLY 41 Ca 0.20 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1k3j n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k3j n GLN 42 N -0.88 0.00 -4.76 1.61 6.02 -1.26 -5.11 117.38 113.00 1k3j n GLN 42 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.71 1k3j n GLN 42 Cb 0.41 -0.18 -0.12 0.00 1.02 0.00 0.00 30.24 31.37 1k3j n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k3j s ILE 43 N -1.49 3.31 0.31 5.09 1.01 -1.26 -4.94 121.20 123.23 1k3j s ILE 43 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 1k3j s ILE 43 Cb 0.00 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1k3j s ILE 43 CO 0.00 0.56 1.09 -2.16 0.00 0.00 0.00 174.94 174.43 1k3j s PRO 44 N -0.85 4.51 0.25 2.79 0.04 -1.26 -4.24 135.00 136.24 1k3j s PRO 44 Ca 0.12 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 1k3j s PRO 44 Cb -0.11 -3.02 -0.13 0.00 0.04 0.00 0.00 34.50 31.28 1k3j s PRO 44 CO 0.02 0.11 1.51 -0.89 0.04 0.00 0.00 177.00 177.79 1k3j n ILE 45 N 0.86 0.80 -4.31 0.56 5.41 -1.26 -4.89 119.36 116.52 1k3j n ILE 45 Ca 0.00 -0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.39 1k3j n ILE 45 Cb 0.46 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.62 1k3j n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1k3j s ARG 46 N -0.18 1.28 -0.20 0.38 3.52 -1.05 -5.03 118.95 117.67 1k3j s ARG 46 Ca 0.69 -1.63 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 1k3j s ARG 46 Cb -0.59 -0.61 0.01 0.00 -1.56 0.00 0.00 34.95 32.19 1k3j s ARG 46 CO 0.47 -0.06 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.25 1k3j s ASP 47 N -3.28 3.66 -0.01 -2.12 1.11 -1.26 -2.34 116.67 112.43 1k3j s ASP 47 Ca 0.26 -0.55 -0.16 0.00 0.18 0.00 0.00 52.55 52.28 1k3j s ASP 47 Cb 0.05 -1.59 -0.06 0.00 1.07 0.00 0.00 42.92 42.39 1k3j s ASP 47 CO 0.07 -0.01 0.45 -0.76 1.18 0.00 0.00 175.17 176.10 1k3j s LEU 48 N 1.37 4.44 0.05 1.23 1.43 0.16 -5.00 118.68 122.37 1k3j s LEU 48 Ca 0.05 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1k3j s LEU 48 Cb -0.14 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1k3j s LEU 48 CO -0.09 0.25 0.02 -0.44 0.23 0.00 0.00 176.35 176.33 1k3j s SER 49 N -0.73 0.37 -0.07 2.29 0.01 -1.26 0.48 113.70 114.78 1k3j s SER 49 Ca 0.25 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.59 1k3j s SER 49 Cb -0.17 0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.30 1k3j s SER 49 CO 0.14 -0.58 0.23 0.00 0.41 0.00 0.00 173.24 173.43 1k3j s ALA 50 N -3.51 -0.56 0.09 1.44 0.00 -0.66 -4.74 121.76 113.82 1k3j s ALA 50 Ca 0.03 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1k3j s ALA 50 Cb 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1k3j s ALA 50 CO -0.09 -0.13 1.08 -0.51 0.00 0.00 0.00 175.76 176.12 1k3j s ASP 51 N -0.15 7.26 0.13 0.00 1.11 -1.26 -4.68 116.67 119.09 1k3j s ASP 51 Ca -0.03 1.93 -0.15 0.00 0.18 0.00 0.00 52.55 54.48 1k3j s ASP 51 Cb -0.03 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 1k3j s ASP 51 CO 0.01 -0.29 1.63 0.40 1.18 0.00 0.00 175.17 178.10 1k3j h ILE 52 N 4.26 1.23 -0.77 0.77 2.04 -1.99 -1.94 117.51 121.11 1k3j h ILE 52 Ca -0.42 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1k3j h ILE 52 Cb 1.21 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1k3j h ILE 52 CO 0.76 0.28 0.51 -1.28 0.00 0.00 0.00 178.15 178.42 1k3j h SER 53 N 0.54 0.87 -0.17 1.72 0.87 -1.99 0.10 113.55 115.50 1k3j h SER 53 Ca 0.13 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 1k3j h SER 53 Cb 0.32 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1k3j h SER 53 CO 0.00 0.62 -0.33 1.56 -0.53 0.00 0.00 176.83 178.15 1k3j h GLN 54 N 1.03 0.67 -0.22 2.24 4.20 -1.95 -1.87 115.11 119.20 1k3j h GLN 54 Ca 0.29 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1k3j h GLN 54 Cb -0.09 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1k3j h GLN 54 CO -0.07 0.91 -0.23 0.28 -0.67 0.00 0.00 178.83 179.05 1k3j h VAL 55 N 0.57 1.32 0.00 -0.54 2.07 -0.78 0.43 116.25 119.31 1k3j h VAL 55 Ca 0.06 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1k3j h VAL 55 Cb 0.84 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1k3j h VAL 55 CO 0.07 0.43 -0.24 -0.07 0.02 0.00 0.00 177.57 177.78 1k3j h LEU 56 N 0.24 0.00 0.00 2.57 4.07 -0.79 -3.26 115.31 118.14 1k3j h LEU 56 Ca 0.03 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 1k3j h LEU 56 Cb 0.78 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1k3j h LEU 56 CO 0.06 0.24 -0.89 0.11 -1.08 0.00 0.00 178.44 176.88 1k3j h LYS 57 N 0.00 0.00 -6.49 1.13 1.57 -1.22 -3.46 116.57 108.10 1k3j h LYS 57 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 1k3j h LYS 57 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 1k3j h LYS 57 CO 0.03 0.71 0.87 -1.21 -0.57 0.00 0.00 179.45 179.28 1k3j s GLU 58 N -2.28 4.25 -0.25 3.15 2.02 0.15 -4.90 118.70 120.83 1k3j s GLU 58 Ca -0.23 2.19 0.23 0.00 0.02 0.00 0.00 54.97 57.17 1k3j s GLU 58 Cb 0.04 -3.41 0.51 0.00 0.10 0.00 0.00 34.13 31.36 1k3j s GLU 58 CO 0.48 -0.59 1.11 1.17 0.02 0.00 0.00 175.26 177.45 1k3j n LYS 59 N 4.80 1.72 -3.42 1.61 4.81 -1.26 -4.77 118.16 121.65 1k3j n LYS 59 Ca 0.14 -3.49 -0.38 0.00 -0.87 0.00 0.00 58.31 53.71 1k3j n LYS 59 Cb 0.41 -1.59 -0.04 0.00 0.02 0.00 0.00 35.03 33.84 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k3j n ARG 60 N -0.58 3.18 0.00 1.64 5.12 -1.26 -4.91 116.66 119.85 1k3j n ARG 60 Ca 0.07 -4.52 0.00 0.00 -1.93 0.00 0.00 57.85 51.48 1k3j n ARG 60 Cb 0.81 -2.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1k3j n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1k3j n SER 61 N 1.98 0.00 -4.22 0.55 2.88 -1.26 -4.68 113.62 108.87 1k3j n SER 61 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1k3j n SER 61 Cb 0.37 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.73 1k3j n SER 61 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k3j s ILE 62 N 0.00 0.99 -0.02 2.46 1.10 -1.26 -4.53 121.20 119.94 1k3j s ILE 62 Ca 0.00 -1.96 -0.06 0.00 -0.51 0.00 0.00 60.65 58.12 1k3j s ILE 62 Cb 0.00 -1.73 -0.02 0.00 0.15 0.00 0.00 42.46 40.86 1k3j s ILE 62 CO 0.00 -0.76 -0.12 0.29 -2.11 0.00 0.00 174.94 172.24 1k3j n LYS 63 N -0.04 0.18 -4.38 3.50 4.01 -1.22 -4.86 118.16 115.35 1k3j n LYS 63 Ca -0.12 0.07 -0.20 0.00 -0.51 0.00 0.00 58.31 57.55 1k3j n LYS 63 Cb 0.60 -0.74 -0.16 0.00 -0.51 0.00 0.00 35.03 34.23 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1k3j s LYS 64 N -2.01 0.97 -0.01 1.97 2.20 -1.18 -5.04 119.74 116.64 1k3j s LYS 64 Ca -0.10 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1k3j s LYS 64 Cb 0.01 -0.91 -0.00 0.00 -1.51 0.00 0.00 37.83 35.42 1k3j s LYS 64 CO 0.15 0.09 -0.08 0.08 -0.36 0.00 0.00 175.35 175.23 1k3j s VAL 65 N 0.26 0.61 -0.12 4.02 1.01 -1.26 -1.06 120.40 123.86 1k3j s VAL 65 Ca -0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1k3j s VAL 65 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1k3j s VAL 65 CO 0.01 0.18 0.13 0.26 0.00 0.00 0.00 175.10 175.67 1k3j s TRP 66 N -0.14 3.56 -0.13 5.22 0.51 0.49 -4.87 118.94 123.60 1k3j s TRP 66 Ca 0.02 0.50 -0.02 0.00 -2.12 0.00 0.00 56.10 54.48 1k3j s TRP 66 Cb -0.04 -1.94 -0.03 0.00 -0.81 0.00 0.00 33.47 30.66 1k3j s TRP 66 CO -0.00 0.70 -0.06 0.99 -0.51 0.00 0.00 176.95 178.07 1k3j s THR 67 N -0.94 3.73 0.05 2.01 2.01 -1.26 0.12 115.64 121.36 1k3j s THR 67 Ca 0.14 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1k3j s THR 67 Cb -0.12 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1k3j s THR 67 CO 0.04 0.53 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.96 1k3j s PHE 68 N 0.02 2.57 -1.51 4.92 0.40 0.41 -0.34 117.98 124.44 1k3j s PHE 68 Ca -0.00 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1k3j s PHE 68 Cb -0.14 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1k3j s PHE 68 CO 0.03 0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.63 1k3j n GLY 69 N 1.45 -1.30 0.05 4.36 0.00 -0.75 0.67 105.19 109.68 1k3j n GLY 69 Ca -0.16 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.05 1k3j n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j n ARG 70 N -0.01 0.20 -3.01 1.61 1.74 -1.11 0.12 116.66 116.20 1k3j n ARG 70 Ca 0.00 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 1k3j n ARG 70 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 1k3j n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k3j s ASN 71 N -3.89 7.20 0.00 0.55 6.03 -1.25 -4.51 114.94 119.08 1k3j s ASN 71 Ca 0.08 1.55 0.15 0.00 -1.03 0.00 0.00 52.86 53.61 1k3j s ASN 71 Cb 0.15 -2.47 0.87 0.00 -3.03 0.00 0.00 41.25 36.77 1k3j s ASN 71 CO 0.69 0.07 1.29 -2.65 -2.03 0.00 0.00 177.10 174.47 1k3j n PRO 72 N 0.96 0.52 -0.06 3.55 -0.02 -1.26 -2.62 135.00 136.07 1k3j n PRO 72 Ca -0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.29 1k3j n PRO 72 Cb 0.50 -1.44 -0.13 0.00 -0.02 0.00 0.00 33.50 32.42 1k3j n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3j h ALA 73 N 2.92 0.06 -1.71 3.55 0.00 -1.94 -3.46 119.26 118.67 1k3j h ALA 73 Ca 0.00 -0.71 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 1k3j h ALA 73 Cb 0.00 0.20 0.11 0.00 0.00 0.00 0.00 17.79 18.11 1k3j h ALA 73 CO 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 1k3j h ASP 75 N 1.55 0.00 -3.23 0.00 5.19 -1.02 -3.37 116.42 115.55 1k3j h ASP 75 Ca -0.36 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.51 1k3j h ASP 75 Cb 1.38 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.51 1k3j h ASP 75 CO 0.58 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.44 1k3j s TYR 76 N -4.05 1.53 -0.31 4.55 5.04 0.53 -4.90 117.35 119.72 1k3j s TYR 76 Ca -0.04 -0.84 -0.24 0.00 -2.44 0.00 0.00 57.07 53.51 1k3j s TYR 76 Cb 0.10 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.17 1k3j s TYR 76 CO 0.32 -0.54 0.82 -1.58 -1.34 0.00 0.00 175.55 173.22 1k3j s HIS 77 N 1.69 3.19 0.00 4.97 2.46 -1.26 -1.81 115.29 124.54 1k3j s HIS 77 Ca 0.04 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.39 1k3j s HIS 77 Cb -0.13 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 1k3j s HIS 77 CO -0.08 -0.60 0.00 1.28 -2.47 0.00 0.00 174.74 172.87 1k3j n LEU 78 N 6.29 1.13 0.00 8.88 4.77 0.32 -4.78 117.00 133.61 1k3j n LEU 78 Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1k3j n LEU 78 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1k3j n LEU 78 CO 0.51 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1k3j n GLY 79 N 2.44 -0.93 2.66 -0.72 0.00 -1.26 -4.62 105.19 102.77 1k3j n GLY 79 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N 0.00 -1.26 -4.67 1.61 0.23 -1.26 -4.61 115.26 105.31 1k3j n ASN 80 Ca 0.00 -1.88 -0.36 0.00 -0.53 0.00 0.00 54.58 51.81 1k3j n ASN 80 Cb 0.00 1.10 -0.09 0.00 -2.08 0.00 0.00 39.78 38.70 1k3j n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1k3j s ILE 81 N 0.06 5.36 0.27 1.53 1.01 -1.26 -4.98 121.20 123.19 1k3j s ILE 81 Ca 0.21 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1k3j s ILE 81 Cb 0.28 -3.51 0.27 0.00 0.01 0.00 0.00 42.46 39.51 1k3j s ILE 81 CO -0.18 0.36 1.84 -1.28 0.00 0.00 0.00 174.94 175.68 1k3j h SER 82 N 7.37 0.90 0.08 3.58 0.87 -2.01 0.94 113.55 125.29 1k3j h SER 82 Ca -0.38 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1k3j h SER 82 Cb 1.17 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1k3j h SER 82 CO 0.68 0.51 -0.01 -0.09 -0.53 0.00 0.00 176.83 177.38 1k3j h ARG 83 N 0.99 0.00 -6.04 2.24 9.65 -1.92 -3.42 114.38 115.88 1k3j h ARG 83 Ca 0.46 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.77 1k3j h ARG 83 Cb 0.40 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1k3j h ARG 83 CO -0.24 0.01 -0.43 -0.51 2.80 0.00 0.00 179.97 181.59 1k3j s LEU 84 N -6.87 4.32 0.43 3.80 1.43 0.32 -4.53 118.68 117.59 1k3j s LEU 84 Ca -0.04 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1k3j s LEU 84 Cb 0.14 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1k3j s LEU 84 CO 0.49 0.08 0.61 -0.94 0.23 0.00 0.00 176.35 176.82 1k3j s SER 85 N -2.83 5.70 0.20 2.29 1.04 -1.26 -4.78 113.70 114.06 1k3j s SER 85 Ca 0.36 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 1k3j s SER 85 Cb -0.12 -1.07 0.16 0.00 0.10 0.00 0.00 66.02 65.09 1k3j s SER 85 CO 0.28 -0.74 1.58 0.78 0.98 0.00 0.00 173.24 176.12 1k3j h ASN 86 N 0.53 -1.25 -3.50 7.02 4.21 -1.93 -2.77 115.58 117.90 1k3j h ASN 86 Ca -0.44 0.25 -0.64 0.00 1.21 0.00 0.00 56.30 56.69 1k3j h ASN 86 Cb 1.27 0.63 -0.40 0.00 -1.12 0.00 0.00 38.32 38.70 1k3j h ASN 86 CO 0.52 -0.30 -0.50 -1.59 -1.29 0.00 0.00 177.43 174.26 1k3j s LYS 87 N -5.98 2.48 0.15 0.81 -2.85 -1.26 -2.73 119.74 110.35 1k3j s LYS 87 Ca -0.14 -3.13 -0.16 0.00 -1.00 0.00 0.00 55.97 51.54 1k3j s LYS 87 Cb 0.17 -3.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.46 1k3j s LYS 87 CO 0.70 -1.24 1.75 1.25 0.10 0.00 0.00 175.35 177.91 1k3j h HIS 88 N 5.83 0.60 -3.70 1.78 2.76 0.54 -3.34 115.15 119.62 1k3j h HIS 88 Ca 0.09 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1k3j h HIS 88 Cb 0.80 -0.19 -0.13 0.00 1.55 0.00 0.00 27.41 29.44 1k3j h HIS 88 CO 0.66 0.46 -0.26 -0.59 -1.30 0.00 0.00 177.93 176.89 1k3j s PHE 89 N -5.82 0.11 0.03 5.26 -0.71 -1.03 0.17 117.98 115.98 1k3j s PHE 89 Ca -0.13 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.29 1k3j s PHE 89 Cb 0.11 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1k3j s PHE 89 CO 0.74 -0.64 -0.08 -0.65 -1.34 0.00 0.00 175.22 173.25 1k3j s GLN 90 N -3.87 0.54 -0.09 1.99 -0.21 0.54 0.15 119.66 118.71 1k3j s GLN 90 Ca 0.08 -0.62 0.04 0.00 0.02 0.00 0.00 55.36 54.88 1k3j s GLN 90 Cb 0.03 -0.38 -0.01 0.00 1.00 0.00 0.00 33.01 33.66 1k3j s GLN 90 CO -0.08 0.08 -0.22 0.42 -2.12 0.00 0.00 175.29 173.37 1k3j s ILE 91 N -1.02 2.24 -0.04 1.08 1.01 0.32 0.19 121.20 124.98 1k3j s ILE 91 Ca -0.06 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.69 1k3j s ILE 91 Cb -0.08 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1k3j s ILE 91 CO 0.00 0.56 -0.25 -1.48 0.00 0.00 0.00 174.94 173.77 1k3j s LEU 92 N 0.16 2.09 -0.07 2.97 2.34 0.14 0.19 118.68 126.49 1k3j s LEU 92 Ca -0.12 -0.47 0.03 0.00 0.06 0.00 0.00 54.13 53.63 1k3j s LEU 92 Cb -0.16 -1.36 0.01 0.00 -0.56 0.00 0.00 46.19 44.11 1k3j s LEU 92 CO 0.07 0.29 -0.17 -0.22 -1.06 0.00 0.00 176.35 175.26 1k3j s LEU 93 N -0.43 1.85 0.00 1.48 0.20 -0.22 -0.08 118.68 121.47 1k3j s LEU 93 Ca 0.05 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.47 1k3j s LEU 93 Cb -0.12 -1.05 0.00 0.00 -0.43 0.00 0.00 46.19 44.59 1k3j s LEU 93 CO 0.01 0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.78 1k3j n GLY 94 N 3.57 0.45 3.55 7.98 0.00 -1.22 -3.13 105.19 116.39 1k3j n GLY 94 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1k3j n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3j n GLU 95 N 0.00 0.44 -2.48 1.61 4.71 -1.25 -2.62 120.64 121.04 1k3j n GLU 95 Ca 0.00 -0.80 -0.14 0.00 -0.01 0.00 0.00 57.16 56.22 1k3j n GLU 95 Cb 0.00 -3.32 -0.01 0.00 -1.01 0.00 0.00 31.44 27.10 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1k3j n ASP 96 N 16.90 -4.09 0.00 1.62 9.92 -1.26 -0.64 116.55 139.00 1k3j n ASP 96 Ca 0.49 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1k3j n ASP 96 Cb 0.39 -3.46 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k3j n GLY 97 N -0.85 2.71 0.34 0.44 0.00 -1.08 -5.03 105.19 101.73 1k3j n GLY 97 Ca -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1k3j n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k3j n ASN 98 N 0.83 -2.16 -4.29 1.61 3.02 0.19 -4.61 115.26 109.84 1k3j n ASN 98 Ca 0.00 -0.09 -0.28 0.00 -0.03 0.00 0.00 54.58 54.18 1k3j n ASN 98 Cb 0.00 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 38.92 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k3j s LEU 99 N 0.00 2.17 0.01 3.41 1.43 -1.26 -3.39 118.68 121.05 1k3j s LEU 99 Ca 0.07 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1k3j s LEU 99 Cb -0.01 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1k3j s LEU 99 CO 0.06 0.21 -0.14 -0.76 0.23 0.00 0.00 176.35 175.95 1k3j s LEU 100 N -1.20 2.09 -0.15 1.79 2.01 0.89 -1.00 118.68 123.11 1k3j s LEU 100 Ca 0.09 -0.33 -0.02 0.00 0.01 0.00 0.00 54.13 53.88 1k3j s LEU 100 Cb -0.09 -0.65 -0.02 0.00 0.01 0.00 0.00 46.19 45.45 1k3j s LEU 100 CO 0.02 0.11 -0.10 -1.48 1.01 0.00 0.00 176.35 175.91 1k3j s LEU 101 N -0.67 2.86 -0.23 1.79 2.34 -0.67 0.24 118.68 124.33 1k3j s LEU 101 Ca 0.04 -0.30 -0.01 0.00 0.06 0.00 0.00 54.13 53.91 1k3j s LEU 101 Cb -0.06 -1.67 0.02 0.00 -0.56 0.00 0.00 46.19 43.92 1k3j s LEU 101 CO 0.00 0.13 -0.09 0.21 -1.06 0.00 0.00 176.35 175.55 1k3j s ASN 102 N 0.55 4.08 0.24 1.48 2.47 0.49 -2.58 114.94 121.68 1k3j s ASN 102 Ca -0.06 -0.74 -0.30 0.00 0.42 0.00 0.00 52.86 52.18 1k3j s ASN 102 Cb -0.15 -1.64 -0.09 0.00 -1.45 0.00 0.00 41.25 37.92 1k3j s ASN 102 CO 0.03 -0.08 0.94 1.51 -3.72 0.00 0.00 177.10 175.79 1k3j s ASP 103 N 1.35 7.63 -0.11 -4.21 1.47 -1.25 0.20 116.67 121.74 1k3j s ASP 103 Ca 0.02 1.95 0.19 0.00 1.18 0.00 0.00 52.55 55.90 1k3j s ASP 103 Cb -0.15 -2.61 0.38 0.00 -0.34 0.00 0.00 42.92 40.19 1k3j s ASP 103 CO -0.06 0.14 1.16 2.30 0.68 0.00 0.00 175.17 179.40 1k3j n ILE 104 N 1.44 0.35 -3.58 2.11 -5.35 -0.64 0.20 119.36 113.89 1k3j n ILE 104 Ca -0.02 -1.36 -0.31 0.00 -0.27 0.00 0.00 62.75 60.79 1k3j n ILE 104 Cb 0.47 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.32 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k3j s SER 105 N -2.23 6.53 0.32 7.28 0.01 0.44 -4.20 113.70 121.84 1k3j s SER 105 Ca 0.24 0.69 0.09 0.00 1.31 0.00 0.00 55.95 58.27 1k3j s SER 105 Cb 0.31 -2.13 0.54 0.00 0.21 0.00 0.00 66.02 64.95 1k3j s SER 105 CO -0.10 -0.00 1.74 0.74 0.41 0.00 0.00 173.24 176.03 1k3j h THR 106 N 1.98 1.30 0.00 1.44 2.02 -1.87 -3.13 112.91 114.66 1k3j h THR 106 Ca -0.46 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1k3j h THR 106 Cb 1.17 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1k3j h THR 106 CO 0.71 0.43 -1.79 0.59 0.37 0.00 0.00 175.52 175.83 1k3j n ASN 107 N -4.04 0.18 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 1k3j n ASN 107 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1k3j n ASN 107 Cb 0.46 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 41.32 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 108 N 1.26 3.26 3.36 7.41 0.00 -1.19 -4.90 105.19 114.39 1k3j n GLY 108 Ca -0.03 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 1k3j n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3j s THR 109 N -2.62 2.50 0.09 2.61 2.01 -1.26 -4.38 115.64 114.58 1k3j s THR 109 Ca 0.00 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1k3j s THR 109 CO 0.00 0.58 -0.13 0.26 -0.69 0.00 0.00 174.62 174.64 1k3j s TRP 110 N -0.44 2.68 -0.21 4.92 0.51 0.39 -2.39 118.94 124.40 1k3j s TRP 110 Ca 0.05 -0.19 0.01 0.00 -2.12 0.00 0.00 56.10 53.85 1k3j s TRP 110 Cb -0.12 -1.44 0.05 0.00 -0.81 0.00 0.00 33.47 31.15 1k3j s TRP 110 CO 0.01 0.38 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.57 1k3j s LEU 111 N -1.98 2.42 -1.68 2.99 2.96 0.10 0.14 118.68 123.63 1k3j s LEU 111 Ca 0.19 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.97 1k3j s LEU 111 Cb -0.11 -1.24 0.13 0.00 0.50 0.00 0.00 46.19 45.47 1k3j s LEU 111 CO 0.11 -0.17 0.59 0.59 -1.32 0.00 0.00 176.35 176.16 1k3j n ASN 112 N 4.66 -2.00 0.00 3.68 5.03 -1.08 0.81 115.26 126.36 1k3j n ASN 112 Ca -0.14 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.21 1k3j n ASN 112 Cb 0.46 -2.41 0.00 0.00 -1.02 0.00 0.00 39.78 36.81 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k3j n GLY 113 N -1.56 1.84 3.46 7.41 0.00 -1.26 -5.01 105.19 110.07 1k3j n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1k3j n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3j s GLN 114 N -0.41 3.59 0.03 1.61 0.74 0.24 -5.07 119.66 120.39 1k3j s GLN 114 Ca 0.00 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.57 1k3j s GLN 114 Cb 0.00 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 1k3j s GLN 114 CO 0.00 -0.26 1.25 0.21 -0.55 0.00 0.00 175.29 175.94 1k3j s LYS 115 N 1.63 4.38 0.33 1.67 2.47 -1.26 0.02 119.74 128.97 1k3j s LYS 115 Ca 0.06 1.81 0.07 0.00 -1.56 0.00 0.00 55.97 56.35 1k3j s LYS 115 Cb -0.16 -3.42 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 1k3j s LYS 115 CO 0.05 -0.37 0.45 0.14 0.16 0.00 0.00 175.35 175.78 1k3j s VAL 116 N 1.54 4.14 0.05 4.02 -7.23 -1.01 -4.94 120.40 116.97 1k3j s VAL 116 Ca 0.60 -1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 59.43 1k3j s VAL 116 Cb -0.29 -3.43 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 1k3j s VAL 116 CO 0.27 -0.17 1.40 -0.70 -0.31 0.00 0.00 175.10 175.59 1k3j s GLU 117 N -4.14 4.30 0.99 4.82 2.12 -1.26 -4.60 118.70 120.93 1k3j s GLU 117 Ca 0.44 2.01 -0.14 0.00 0.36 0.00 0.00 54.97 57.64 1k3j s GLU 117 Cb -0.09 -3.45 0.07 0.00 0.26 0.00 0.00 34.13 30.91 1k3j s GLU 117 CO 0.31 -0.52 0.39 1.17 -0.54 0.00 0.00 175.26 176.07 1k3j n LYS 118 N 4.82 -0.66 -2.76 4.30 4.81 -1.26 -2.17 118.16 125.23 1k3j n LYS 118 Ca 0.12 -0.15 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 1k3j n LYS 118 Cb 0.43 -1.87 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 1k3j n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k3j n ASN 119 N -1.71 -1.02 -4.57 3.14 3.02 0.52 -4.86 115.26 109.77 1k3j n ASN 119 Ca 0.06 -0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.14 1k3j n ASN 119 Cb 0.55 -0.95 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3j s SER 120 N -2.02 4.43 -0.09 6.41 0.15 -0.92 -4.91 113.70 116.75 1k3j s SER 120 Ca 0.26 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.48 1k3j s SER 120 Cb -0.15 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1k3j s SER 120 CO 0.32 0.26 0.54 0.20 1.20 0.00 0.00 173.24 175.76 1k3j s ASN 121 N -1.52 6.79 0.07 5.45 -0.87 -1.26 -3.88 114.94 119.71 1k3j s ASN 121 Ca 0.17 0.94 0.06 0.00 -1.57 0.00 0.00 52.86 52.46 1k3j s ASN 121 Cb -0.11 -2.32 -0.03 0.00 -0.02 0.00 0.00 41.25 38.77 1k3j s ASN 121 CO 0.08 -0.01 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.35 1k3j s GLN 122 N 0.54 0.92 -0.22 -0.60 -1.52 -1.07 -4.94 119.66 112.78 1k3j s GLN 122 Ca 0.29 -0.93 -0.29 0.00 -1.95 0.00 0.00 55.36 52.48 1k3j s GLN 122 Cb -0.16 -0.97 -0.02 0.00 -0.22 0.00 0.00 33.01 31.64 1k3j s GLN 122 CO 0.13 0.23 1.45 -1.17 -0.25 0.00 0.00 175.29 175.68 1k3j s LEU 123 N -1.57 3.99 0.86 2.90 2.96 -1.26 -1.67 118.68 124.88 1k3j s LEU 123 Ca 0.01 1.56 -0.13 0.00 -0.22 0.00 0.00 54.13 55.35 1k3j s LEU 123 Cb -0.09 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.12 1k3j s LEU 123 CO 0.02 -1.08 0.85 -0.11 -1.32 0.00 0.00 176.35 174.72 1k3j n LEU 124 N 7.71 2.29 -4.33 -0.68 7.94 -0.17 -4.92 117.00 124.85 1k3j n LEU 124 Ca 0.16 0.48 -0.23 0.00 -1.11 0.00 0.00 56.01 55.31 1k3j n LEU 124 Cb 0.45 -1.37 -0.12 0.00 0.53 0.00 0.00 43.42 42.92 1k3j n LEU 124 CO 0.62 -2.57 -0.50 -0.55 -1.11 0.00 0.00 177.39 173.28 1k3j s SER 125 N -2.09 2.73 -0.04 1.96 0.15 -1.26 -4.92 113.70 110.23 1k3j s SER 125 Ca 0.66 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1k3j s SER 125 Cb -0.27 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1k3j s SER 125 CO 0.58 0.02 1.40 -1.10 1.20 0.00 0.00 173.24 175.34 1k3j s GLN 126 N -2.48 4.26 -2.05 5.44 -1.52 -1.26 -2.34 119.66 119.72 1k3j s GLN 126 Ca 0.13 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.47 1k3j s GLN 126 Cb -0.07 -3.66 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 1k3j s GLN 126 CO 0.06 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.88 1k3j n GLY 127 N 3.69 1.55 3.27 3.09 0.00 -0.94 -4.95 105.19 110.89 1k3j n GLY 127 Ca 0.14 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1k3j n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3j n ASP 128 N -1.30 -2.81 -3.78 1.61 2.03 -0.99 -4.50 116.55 106.82 1k3j n ASP 128 Ca -0.20 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.59 1k3j n ASP 128 Cb 0.66 -1.02 -0.13 0.00 -0.72 0.00 0.00 41.12 39.91 1k3j n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1k3j s GLU 129 N -4.11 0.18 -0.15 -0.67 2.12 -1.26 0.25 118.70 115.07 1k3j s GLU 129 Ca 0.59 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 56.26 1k3j s GLU 129 Cb -0.15 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1k3j s GLU 129 CO 0.58 -0.09 -0.12 0.42 -0.54 0.00 0.00 175.26 175.51 1k3j s ILE 130 N 0.61 3.08 -0.11 -3.70 1.01 0.38 -2.63 121.20 119.84 1k3j s ILE 130 Ca -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1k3j s ILE 130 Cb -0.06 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1k3j s ILE 130 CO -0.03 0.51 0.05 -0.89 0.00 0.00 0.00 174.94 174.58 1k3j s THR 131 N 0.56 4.75 0.05 2.92 2.01 0.37 0.35 115.64 126.64 1k3j s THR 131 Ca -0.08 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1k3j s THR 131 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1k3j s THR 131 CO 0.03 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 1k3j s VAL 132 N -0.78 0.20 0.00 3.82 -7.23 0.30 0.15 120.40 116.86 1k3j s VAL 132 Ca 0.12 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1k3j s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1k3j s VAL 132 CO 0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 1k3j n GLY 133 N 0.34 0.78 3.76 2.32 0.00 -1.26 0.72 105.19 111.85 1k3j n GLY 133 Ca -0.16 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1k3j n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 134 N -2.37 3.58 0.00 1.61 1.01 -1.26 -3.52 120.40 119.46 1k3j s VAL 134 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1k3j s VAL 134 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1k3j s VAL 134 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1k3j n GLY 135 N 1.17 2.52 3.09 4.51 0.00 -1.26 -5.00 105.19 110.21 1k3j n GLY 135 Ca -0.01 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1k3j n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 136 N 0.00 1.39 0.34 1.61 1.01 -1.26 -5.03 120.40 118.45 1k3j s VAL 136 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1k3j s VAL 136 Cb 0.00 -1.23 0.33 0.00 0.00 0.00 0.00 36.38 35.48 1k3j s VAL 136 CO 0.00 0.41 1.78 1.05 0.00 0.00 0.00 175.10 178.34 1k3j h GLU 137 N 6.68 0.61 -0.32 2.72 4.11 -1.99 0.17 114.58 126.55 1k3j h GLU 137 Ca -0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1k3j h GLU 137 Cb 1.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1k3j h GLU 137 CO 0.47 0.41 0.00 0.45 0.07 0.00 0.00 179.01 180.41 1k3j n SER 138 N -4.72 2.43 -0.48 3.06 2.88 -1.26 -4.18 113.62 111.34 1k3j n SER 138 Ca 0.24 -1.88 0.07 0.00 -1.33 0.00 0.00 58.87 55.97 1k3j n SER 138 Cb 0.66 -0.21 0.19 0.00 -0.75 0.00 0.00 64.21 64.11 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k3j n ASP 139 N 0.82 1.85 -4.67 -3.46 2.03 0.58 -5.01 116.55 108.69 1k3j n ASP 139 Ca 0.17 -3.71 -0.35 0.00 0.52 0.00 0.00 54.79 51.42 1k3j n ASP 139 Cb 0.43 -0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k3j s ILE 140 N -3.14 4.25 -0.06 5.18 1.01 -1.20 -4.42 121.20 122.82 1k3j s ILE 140 Ca 0.37 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1k3j s ILE 140 Cb 0.35 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1k3j s ILE 140 CO -0.05 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 175.05 1k3j s LEU 141 N -0.82 2.01 0.12 2.97 0.20 0.22 -4.96 118.68 118.42 1k3j s LEU 141 Ca 0.12 -0.46 0.08 0.00 0.69 0.00 0.00 54.13 54.56 1k3j s LEU 141 Cb -0.11 -1.24 -0.04 0.00 -0.43 0.00 0.00 46.19 44.37 1k3j s LEU 141 CO 0.02 0.20 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.62 1k3j s SER 142 N -0.00 4.28 0.01 3.68 0.15 -1.26 0.11 113.70 120.67 1k3j s SER 142 Ca -0.06 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.15 1k3j s SER 142 Cb -0.14 -0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 63.40 1k3j s SER 142 CO 0.04 0.16 -0.07 -0.76 1.20 0.00 0.00 173.24 173.82 1k3j s LEU 143 N -2.31 2.10 -0.07 3.45 2.01 0.16 -3.84 118.68 120.17 1k3j s LEU 143 Ca 0.21 -0.26 0.01 0.00 0.01 0.00 0.00 54.13 54.10 1k3j s LEU 143 Cb -0.11 -0.25 -0.03 0.00 0.01 0.00 0.00 46.19 45.81 1k3j s LEU 143 CO 0.13 -0.03 -0.08 -0.69 1.01 0.00 0.00 176.35 176.70 1k3j s VAL 144 N -0.57 3.61 -0.21 -1.59 1.01 0.34 0.14 120.40 123.14 1k3j s VAL 144 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1k3j s VAL 144 Cb -0.05 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1k3j s VAL 144 CO 0.00 0.60 0.04 -0.63 0.00 0.00 0.00 175.10 175.11 1k3j s ILE 145 N -0.78 4.32 -0.32 2.22 1.01 0.14 0.94 121.20 128.73 1k3j s ILE 145 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1k3j s ILE 145 Cb -0.11 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1k3j s ILE 145 CO 0.01 0.41 0.06 0.12 0.00 0.00 0.00 174.94 175.54 1k3j s PHE 146 N 0.96 3.26 0.02 3.97 5.36 0.39 -2.22 117.98 129.73 1k3j s PHE 146 Ca 0.03 -1.64 -0.24 0.00 -0.96 0.00 0.00 56.93 54.12 1k3j s PHE 146 Cb -0.14 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1k3j s PHE 146 CO 0.02 -0.77 0.72 0.42 -1.46 0.00 0.00 175.22 174.15 1k3j s ILE 147 N 1.33 4.81 -0.10 3.12 1.09 -1.26 0.11 121.20 130.30 1k3j s ILE 147 Ca -0.03 1.51 -0.24 0.00 -1.10 0.00 0.00 60.65 60.79 1k3j s ILE 147 Cb -0.20 -4.06 -0.03 0.00 -1.06 0.00 0.00 42.46 37.11 1k3j s ILE 147 CO 0.01 0.36 0.74 0.20 -0.10 0.00 0.00 174.94 176.15 1k3j s ASN 148 N 0.02 6.96 0.40 3.58 -0.87 -1.24 -4.95 114.94 118.85 1k3j s ASN 148 Ca 0.37 1.17 0.22 0.00 -1.57 0.00 0.00 52.86 53.04 1k3j s ASN 148 Cb -0.20 -2.42 0.68 0.00 -0.02 0.00 0.00 41.25 39.29 1k3j s ASN 148 CO 0.21 -0.21 1.72 0.44 -2.57 0.00 0.00 177.10 176.69 1k3j h ASP 149 N 6.98 0.00 -0.53 -1.22 3.32 -1.96 -3.20 116.42 119.82 1k3j h ASP 149 Ca -0.37 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1k3j h ASP 149 Cb 1.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1k3j h ASP 149 CO 0.78 0.27 0.32 0.50 -1.72 0.00 0.00 179.24 179.39 1k3j h LYS 150 N 0.00 0.62 -0.62 3.56 1.63 -1.95 -0.45 116.57 119.36 1k3j h LYS 150 Ca -0.00 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1k3j h LYS 150 Cb 0.91 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1k3j h LYS 150 CO 0.04 0.41 0.38 0.35 -3.45 0.00 0.00 179.45 177.18 1k3j h PHE 151 N 0.64 0.72 -0.62 1.91 3.57 -1.80 -2.14 116.94 119.21 1k3j h PHE 151 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1k3j h PHE 151 Cb 0.01 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1k3j h PHE 151 CO -0.06 0.41 0.08 0.87 -2.23 0.00 0.00 178.31 177.39 1k3j h LYS 152 N 0.76 1.03 -0.76 1.11 1.57 -1.53 -2.86 116.57 115.88 1k3j h LYS 152 Ca 0.25 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1k3j h LYS 152 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1k3j h LYS 152 CO -0.10 0.96 0.49 0.37 -0.57 0.00 0.00 179.45 180.60 1k3j h GLN 153 N 0.96 0.95 -0.38 3.15 4.15 -0.53 0.93 115.11 124.34 1k3j h GLN 153 Ca 0.19 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1k3j h GLN 153 Cb 0.44 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1k3j h GLN 153 CO 0.01 0.63 0.22 0.00 -1.93 0.00 0.00 178.83 177.76 1k3j h LEU 155 N 0.49 0.62 -0.74 0.00 6.46 -1.26 0.86 115.31 121.73 1k3j h LEU 155 Ca 0.13 -0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 1k3j h LEU 155 Cb 0.03 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 1k3j h LEU 155 CO -0.02 0.88 -0.19 -0.08 -0.62 0.00 0.00 178.44 178.40 1k3j h GLU 156 N 0.52 0.75 0.12 1.25 4.81 -0.49 -3.20 114.58 118.34 1k3j h GLU 156 Ca 0.07 -0.29 -0.33 0.00 -0.13 0.00 0.00 59.36 58.68 1k3j h GLU 156 Cb 0.76 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1k3j h GLU 156 CO 0.06 0.89 -1.73 0.37 -0.73 0.00 0.00 179.01 177.87 1k3j h GLN 157 N 0.66 0.25 -6.48 1.92 4.15 -0.89 -3.50 115.11 111.24 1k3j h GLN 157 Ca 0.10 -0.43 -0.38 0.00 0.77 0.00 0.00 58.65 58.71 1k3j h GLN 157 Cb 0.69 0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.55 1k3j h GLN 157 CO 0.05 1.10 -1.10 0.27 -1.93 0.00 0.00 178.83 177.22 1k3j n ASN 158 N -3.44 -5.59 -4.65 -0.69 0.23 0.30 -4.88 115.26 96.54 1k3j n ASN 158 Ca -0.23 -0.29 -0.42 0.00 -0.53 0.00 0.00 54.58 53.11 1k3j n ASN 158 Cb 1.05 -2.03 -0.04 0.00 -2.08 0.00 0.00 39.78 36.68 1k3j n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1k3j s LYS 159 N -3.07 4.23 0.27 -3.83 -2.85 -1.26 -5.03 119.74 108.20 1k3j s LYS 159 Ca 0.28 1.03 -0.29 0.00 -1.00 0.00 0.00 55.97 55.98 1k3j s LYS 159 Cb -0.03 -3.62 -0.09 0.00 -2.06 0.00 0.00 37.83 32.02 1k3j s LYS 159 CO 0.87 -0.47 0.98 0.14 0.10 0.00 0.00 175.35 176.97 1k3j s VAL 160 N 2.68 3.94 -0.29 1.79 -7.23 -1.26 -5.04 120.40 114.98 1k3j s VAL 160 Ca 0.37 1.88 0.01 0.00 -1.81 0.00 0.00 61.98 62.43 1k3j s VAL 160 Cb -0.16 -4.16 0.19 0.00 0.56 0.00 0.00 36.38 32.81 1k3j s VAL 160 CO 0.09 0.39 0.58 -1.81 -0.31 0.00 0.00 175.10 174.03 1k3j s ASP 161 N -1.20 -1.33 -0.07 4.85 1.01 -1.26 -5.02 116.67 113.65 1k3j s ASP 161 Ca 0.44 0.61 0.15 0.00 0.71 0.00 0.00 52.55 54.46 1k3j s ASP 161 Cb -0.26 2.05 -0.22 0.00 1.01 0.00 0.00 42.92 45.50 1k3j s ASP 161 CO 0.32 -0.28 0.54 -2.11 0.21 0.00 0.00 175.17 173.86 1k3j n ARG 162 N 5.42 0.64 -2.53 8.23 1.85 -1.26 -4.87 116.66 124.15 1k3j n ARG 162 Ca 0.01 0.21 -0.43 0.00 -1.00 0.00 0.00 57.85 56.64 1k3j n ARG 162 Cb 0.52 -1.73 -0.02 0.00 -1.05 0.00 0.00 32.46 30.18 1k3j n ARG 162 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1k3j s ILE 163 N -2.63 4.43 -2.00 8.89 1.10 -1.26 -5.38 121.20 124.34 1k3j s ILE 163 Ca -0.06 1.73 0.28 0.00 -0.51 0.00 0.00 60.65 62.10 1k3j s ILE 163 Cb 0.08 -4.12 0.80 0.00 0.15 0.00 0.00 42.46 39.37 1k3j s ILE 163 CO 0.83 -0.06 2.02 -1.14 -2.11 0.00 0.00 174.94 174.48