#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 -0.06 0.00 -1.04 -1.26 -4.87 114.28 107.05 1k3j n THR 15 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1k3j n THR 15 Cb 0.00 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.30 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1k3j h GLN 16 N 0.00 0.48 -0.71 -2.82 7.50 -2.06 -2.80 115.11 114.69 1k3j h GLN 16 Ca 0.00 -0.28 -0.00 0.00 0.50 0.00 0.00 58.65 58.87 1k3j h GLN 16 Cb 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 1k3j h GLN 16 CO 0.00 0.86 0.44 -0.09 -1.50 0.00 0.00 178.83 178.54 1k3j h ARG 17 N 0.14 0.96 -0.91 1.46 2.43 -2.00 -2.35 114.38 114.10 1k3j h ARG 17 Ca 0.02 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1k3j h ARG 17 Cb 0.80 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1k3j h ARG 17 CO 0.06 0.67 0.59 0.35 -1.51 0.00 0.00 179.97 180.13 1k3j h PHE 18 N 0.97 1.15 -0.52 2.20 3.04 -1.89 -2.06 116.94 119.84 1k3j h PHE 18 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1k3j h PHE 18 Cb -0.05 -0.39 -0.03 0.00 2.56 0.00 0.00 35.95 38.04 1k3j h PHE 18 CO -0.01 0.74 0.33 -0.07 -2.02 0.00 0.00 178.31 177.27 1k3j h LEU 19 N 1.24 0.60 -0.79 0.59 3.38 -1.15 -2.55 115.31 116.63 1k3j h LEU 19 Ca 0.33 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1k3j h LEU 19 Cb -0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1k3j h LEU 19 CO -0.07 0.45 0.31 0.40 0.09 0.00 0.00 178.44 179.62 1k3j h ILE 20 N 0.70 1.26 -0.51 1.22 1.08 -1.14 -2.47 117.51 117.65 1k3j h ILE 20 Ca 0.19 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.88 1k3j h ILE 20 Cb -0.06 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1k3j h ILE 20 CO -0.04 0.34 0.34 -0.33 -0.69 0.00 0.00 178.15 177.77 1k3j h GLU 21 N 1.15 0.45 -0.25 2.37 5.08 -0.99 -1.20 114.58 121.20 1k3j h GLU 21 Ca 0.26 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1k3j h GLU 21 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1k3j h GLU 21 CO -0.02 0.30 -0.13 0.87 -1.00 0.00 0.00 179.01 179.03 1k3j h LYS 22 N 0.47 0.42 -0.37 2.33 1.57 -1.11 -2.80 116.57 117.08 1k3j h LYS 22 Ca 0.22 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1k3j h LYS 22 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1k3j h LYS 22 CO -0.06 0.56 0.14 0.74 -0.57 0.00 0.00 179.45 180.26 1k3j h PHE 23 N 0.39 0.24 -0.52 -1.35 -1.00 -1.20 -2.46 116.94 111.05 1k3j h PHE 23 Ca 0.07 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 1k3j h PHE 23 Cb 0.47 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1k3j h PHE 23 CO 0.01 0.10 0.14 0.66 -1.61 0.00 0.00 178.31 177.62 1k3j h SER 24 N 0.29 0.77 -5.01 2.17 4.64 -1.55 -3.49 113.55 111.37 1k3j h SER 24 Ca 0.17 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1k3j h SER 24 Cb 0.14 -0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 61.90 1k3j h SER 24 CO -0.17 0.79 -1.56 0.00 -0.87 0.00 0.00 176.83 175.02 1k3j n GLN 25 N -4.46 -4.63 -2.87 4.77 1.13 -0.93 -4.95 117.38 105.44 1k3j n GLN 25 Ca 0.02 3.47 -0.39 0.00 -1.94 0.00 0.00 57.00 58.17 1k3j n GLN 25 Cb 0.21 -4.99 -0.06 0.00 0.11 0.00 0.00 30.24 25.51 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1k3j s GLU 26 N -0.65 4.63 -0.53 -1.09 -1.05 -1.26 -5.01 118.70 113.74 1k3j s GLU 26 Ca -0.27 1.27 -0.25 0.00 -0.15 0.00 0.00 54.97 55.57 1k3j s GLU 26 Cb 0.02 -3.10 0.04 0.00 -0.44 0.00 0.00 34.13 30.64 1k3j s GLU 26 CO 0.74 0.46 0.96 -1.14 0.95 0.00 0.00 175.26 177.22 1k3j s GLN 27 N -1.50 3.40 0.16 -4.83 2.00 -1.26 -5.02 119.66 112.62 1k3j s GLN 27 Ca 0.42 -0.10 -0.27 0.00 -2.00 0.00 0.00 55.36 53.40 1k3j s GLN 27 Cb -0.22 -4.01 -0.08 0.00 0.80 0.00 0.00 33.01 29.50 1k3j s GLN 27 CO 0.27 -1.43 0.85 0.42 -0.50 0.00 0.00 175.29 174.91 1k3j s ILE 28 N 3.97 4.36 0.00 -2.34 -1.09 -1.26 -4.63 121.20 120.21 1k3j s ILE 28 Ca 0.33 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.62 1k3j s ILE 28 Cb -0.11 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1k3j s ILE 28 CO 0.22 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1k3j n GLY 29 N 1.79 0.57 0.15 6.18 0.00 -1.26 -5.06 105.19 107.56 1k3j n GLY 29 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1k3j n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k3j h GLU 30 N 0.00 0.51 0.00 1.61 4.39 -2.02 -3.43 114.58 115.64 1k3j h GLU 30 Ca 0.00 -0.73 -0.07 0.00 0.34 0.00 0.00 59.36 58.91 1k3j h GLU 30 Cb 0.00 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1k3j h GLU 30 CO 0.00 1.32 -0.13 0.27 -1.16 0.00 0.00 179.01 179.32 1k3j n ASN 31 N -3.92 -0.55 -4.73 1.42 6.94 -1.26 -5.07 115.26 108.09 1k3j n ASN 31 Ca -0.14 -1.20 -0.41 0.00 -0.02 0.00 0.00 54.58 52.81 1k3j n ASN 31 Cb 0.93 0.22 -0.04 0.00 -2.36 0.00 0.00 39.78 38.53 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1k3j s ILE 32 N 0.03 3.90 -0.14 1.53 -1.09 -1.26 -0.68 121.20 123.50 1k3j s ILE 32 Ca 0.02 1.59 -0.11 0.00 -2.23 0.00 0.00 60.65 59.92 1k3j s ILE 32 Cb 0.09 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1k3j s ILE 32 CO -0.03 0.25 -0.21 0.52 -1.23 0.00 0.00 174.94 174.24 1k3j n VAL 33 N 2.62 1.27 -3.92 2.92 0.31 0.17 -4.45 118.33 117.25 1k3j n VAL 33 Ca 0.04 0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.50 1k3j n VAL 33 Cb 0.46 -2.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.03 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 -2.42 2.60 -0.23 0.00 3.52 0.35 0.01 118.95 122.79 1k3j s ARG 35 Ca -0.07 -0.73 -0.07 0.00 -0.13 0.00 0.00 55.73 54.73 1k3j s ARG 35 Cb -0.02 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 1k3j s ARG 35 CO -0.04 0.54 0.07 0.08 -0.81 0.00 0.00 175.30 175.14 1k3j s VAL 36 N -0.51 4.47 -0.14 7.11 1.01 -0.82 0.94 120.40 132.46 1k3j s VAL 36 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1k3j s VAL 36 Cb -0.12 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1k3j s VAL 36 CO 0.01 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 174.78 1k3j s ILE 37 N 1.29 1.11 -0.15 2.22 1.01 0.32 -1.99 121.20 125.01 1k3j s ILE 37 Ca 0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 1k3j s ILE 37 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1k3j s ILE 37 CO 0.04 0.29 1.01 0.00 0.00 0.00 0.00 174.94 176.27 1k3j n THR 39 N 4.84 1.11 1.75 0.00 -2.24 -1.25 -3.93 114.28 114.57 1k3j n THR 39 Ca 0.10 -0.69 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 1k3j n THR 39 Cb 0.48 -0.66 0.87 0.00 -2.10 0.00 0.00 70.33 68.92 1k3j n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k3j n THR 40 N -2.83 0.00 -2.58 4.28 -2.24 -1.26 -4.95 114.28 104.71 1k3j n THR 40 Ca -0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1k3j n THR 40 Cb 0.84 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.09 -1.08 0.85 3.38 0.00 -1.25 -5.00 105.19 103.18 1k3j n GLY 41 Ca 0.20 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.94 0.00 -4.89 1.61 6.02 -1.26 -5.11 117.38 112.81 1k3j n GLN 42 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 1k3j n GLN 42 Cb 0.42 -0.20 -0.13 0.00 1.02 0.00 0.00 30.24 31.35 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 -1.42 2.93 0.42 5.09 1.09 -1.26 -4.93 121.20 123.12 1k3j s ILE 43 Ca 0.00 -0.83 -0.24 0.00 -1.10 0.00 0.00 60.65 58.48 1k3j s ILE 43 Cb 0.00 -2.15 -0.08 0.00 -1.06 0.00 0.00 42.46 39.16 1k3j s ILE 43 CO 0.00 0.55 1.09 -2.16 -0.10 0.00 0.00 174.94 174.32 1k3j s PRO 44 N -0.84 4.04 0.40 2.79 0.04 -1.26 -4.19 135.00 135.97 1k3j s PRO 44 Ca 0.12 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1k3j s PRO 44 Cb -0.11 -2.52 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 1k3j s PRO 44 CO 0.01 -0.27 1.35 -0.89 0.04 0.00 0.00 177.00 177.24 1k3j n ILE 45 N -0.17 2.35 -4.19 0.56 5.41 -1.26 -4.85 119.36 117.21 1k3j n ILE 45 Ca 0.06 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.19 1k3j n ILE 45 Cb 0.49 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.61 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 -2.15 0.98 -0.17 0.38 3.52 -0.84 -5.03 118.95 115.64 1k3j s ARG 46 Ca 0.58 -1.46 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1k3j s ARG 46 Cb -0.50 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 32.87 1k3j s ARG 46 CO 0.60 -0.17 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.24 1k3j s ASP 47 N -3.10 2.97 -0.01 -2.12 1.11 -1.26 -1.95 116.67 112.31 1k3j s ASP 47 Ca 0.22 -0.59 -0.17 0.00 0.18 0.00 0.00 52.55 52.18 1k3j s ASP 47 Cb 0.07 -1.36 -0.06 0.00 1.07 0.00 0.00 42.92 42.65 1k3j s ASP 47 CO 0.01 -0.03 0.49 -0.76 1.18 0.00 0.00 175.17 176.07 1k3j s LEU 48 N 1.37 4.44 0.06 1.23 1.43 0.10 -5.00 118.68 122.31 1k3j s LEU 48 Ca 0.05 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.13 1k3j s LEU 48 Cb -0.13 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1k3j s LEU 48 CO -0.12 0.21 0.11 -0.94 0.23 0.00 0.00 176.35 175.84 1k3j s SER 49 N -0.60 0.21 -0.04 2.29 1.04 -1.26 0.42 113.70 115.76 1k3j s SER 49 Ca 0.26 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 1k3j s SER 49 Cb -0.17 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1k3j s SER 49 CO 0.15 -0.60 0.37 0.00 0.98 0.00 0.00 173.24 174.14 1k3j s ALA 50 N -3.25 -0.93 -0.05 5.32 0.00 0.14 -4.78 121.76 118.22 1k3j s ALA 50 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1k3j s ALA 50 Cb 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1k3j s ALA 50 CO -0.08 -0.26 1.22 -0.51 0.00 0.00 0.00 175.76 176.13 1k3j s ASP 51 N -1.08 7.03 0.18 0.00 1.11 -1.26 -4.66 116.67 117.99 1k3j s ASP 51 Ca -0.11 1.84 -0.11 0.00 0.18 0.00 0.00 52.55 54.35 1k3j s ASP 51 Cb -0.04 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.47 1k3j s ASP 51 CO 0.04 -0.60 1.70 0.40 1.18 0.00 0.00 175.17 177.89 1k3j h ILE 52 N 5.00 1.25 -0.81 0.77 2.04 -1.98 -2.64 117.51 121.15 1k3j h ILE 52 Ca -0.34 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 64.68 1k3j h ILE 52 Cb 1.16 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1k3j h ILE 52 CO 0.88 0.34 0.49 -1.28 0.00 0.00 0.00 178.15 178.58 1k3j h SER 53 N 0.91 0.76 -0.18 1.72 0.87 -1.99 0.29 113.55 115.93 1k3j h SER 53 Ca 0.20 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1k3j h SER 53 Cb 0.34 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1k3j h SER 53 CO -0.00 0.48 -0.32 1.56 -0.53 0.00 0.00 176.83 178.02 1k3j h GLN 54 N 0.89 0.68 -0.18 2.24 4.20 -1.95 -1.40 115.11 119.60 1k3j h GLN 54 Ca 0.36 -0.31 -0.19 0.00 0.06 0.00 0.00 58.65 58.57 1k3j h GLN 54 Cb 0.19 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1k3j h GLN 54 CO -0.18 0.91 -0.65 0.28 -0.67 0.00 0.00 178.83 178.51 1k3j h VAL 55 N 0.57 1.31 -0.25 -0.54 2.07 -0.94 -1.60 116.25 116.87 1k3j h VAL 55 Ca 0.06 -1.90 -0.14 0.00 0.82 0.00 0.00 66.70 65.54 1k3j h VAL 55 Cb 0.83 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1k3j h VAL 55 CO 0.07 0.60 -0.41 0.25 0.02 0.00 0.00 177.57 178.10 1k3j h LEU 56 N 0.49 0.80 -0.84 2.57 6.46 -0.40 -3.15 115.31 121.24 1k3j h LEU 56 Ca -0.02 -0.52 -0.11 0.00 -0.12 0.00 0.00 57.88 57.11 1k3j h LEU 56 Cb 1.25 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 1k3j h LEU 56 CO 0.13 1.16 -0.52 0.07 -0.62 0.00 0.00 178.44 178.67 1k3j h LYS 57 N 0.45 0.00 -5.21 1.25 2.10 -1.29 -3.42 116.57 110.45 1k3j h LYS 57 Ca 0.02 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.04 1k3j h LYS 57 Cb 1.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.19 1k3j h LYS 57 CO 0.09 0.52 -0.16 -1.21 -2.00 0.00 0.00 179.45 176.69 1k3j s GLU 58 N -3.63 3.99 -0.08 0.07 0.41 -0.60 -4.91 118.70 113.95 1k3j s GLU 58 Ca -0.01 0.10 0.11 0.00 -0.41 0.00 0.00 54.97 54.76 1k3j s GLU 58 Cb 0.12 -3.67 -0.16 0.00 -1.78 0.00 0.00 34.13 28.65 1k3j s GLU 58 CO 0.73 -0.33 0.12 0.36 -0.49 0.00 0.00 175.26 175.65 1k3j n LYS 59 N 5.42 1.52 -4.09 1.61 2.85 -1.26 -4.73 118.16 119.48 1k3j n LYS 59 Ca -0.07 -0.04 -0.22 0.00 -1.05 0.00 0.00 58.31 56.92 1k3j n LYS 59 Cb 0.50 -1.29 -0.04 0.00 -0.65 0.00 0.00 35.03 33.55 1k3j n LYS 59 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1k3j s ARG 60 N -2.48 3.01 0.70 -1.58 3.52 -1.26 -4.71 118.95 116.16 1k3j s ARG 60 Ca -0.05 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 54.57 1k3j s ARG 60 Cb 0.05 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 1k3j s ARG 60 CO 0.48 0.42 0.00 0.45 -0.81 0.00 0.00 175.30 175.84 1k3j n SER 61 N -1.08 -7.41 -4.93 -2.12 2.88 -1.26 -4.84 113.62 94.85 1k3j n SER 61 Ca -0.08 1.09 -0.25 0.00 -1.33 0.00 0.00 58.87 58.30 1k3j n SER 61 Cb 0.57 -3.09 -0.02 0.00 -0.75 0.00 0.00 64.21 60.93 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 -1.60 5.11 -0.09 2.46 1.10 -1.26 -4.66 121.20 122.26 1k3j s ILE 62 Ca 0.00 -0.38 -0.09 0.00 -0.51 0.00 0.00 60.65 59.66 1k3j s ILE 62 Cb 0.00 -3.82 -0.03 0.00 0.15 0.00 0.00 42.46 38.75 1k3j s ILE 62 CO 0.00 -0.46 -0.18 0.29 -2.11 0.00 0.00 174.94 172.48 1k3j n LYS 63 N -1.49 0.27 -3.79 3.50 4.01 -1.09 -5.04 118.16 114.53 1k3j n LYS 63 Ca -0.04 0.11 -0.14 0.00 -0.51 0.00 0.00 58.31 57.73 1k3j n LYS 63 Cb 0.55 -0.97 -0.15 0.00 -0.51 0.00 0.00 35.03 33.95 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 0.00 -0.01 1.97 2.20 -1.18 -5.02 119.74 115.70 1k3j s LYS 64 Ca -0.15 0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.68 1k3j s LYS 64 Cb 0.02 -0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1k3j s LYS 64 CO 0.22 -0.12 -0.14 0.08 -0.36 0.00 0.00 175.35 175.03 1k3j s VAL 65 N 0.79 1.09 -0.12 4.02 1.01 -1.26 -0.35 120.40 125.59 1k3j s VAL 65 Ca -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1k3j s VAL 65 Cb -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1k3j s VAL 65 CO -0.03 0.31 0.12 0.26 0.00 0.00 0.00 175.10 175.77 1k3j s TRP 66 N -0.25 3.54 -0.15 5.22 0.51 0.53 -4.88 118.94 123.46 1k3j s TRP 66 Ca 0.04 0.48 -0.00 0.00 -2.12 0.00 0.00 56.10 54.50 1k3j s TRP 66 Cb -0.06 -1.93 -0.01 0.00 -0.81 0.00 0.00 33.47 30.66 1k3j s TRP 66 CO -0.00 0.70 -0.13 0.99 -0.51 0.00 0.00 176.95 177.99 1k3j s THR 67 N -0.98 2.92 0.03 2.01 2.01 -1.26 0.11 115.64 120.48 1k3j s THR 67 Ca 0.15 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1k3j s THR 67 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1k3j s THR 67 CO 0.04 0.51 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 1k3j s PHE 68 N 0.68 2.90 -3.91 4.92 0.40 0.35 0.66 117.98 123.98 1k3j s PHE 68 Ca -0.06 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1k3j s PHE 68 Cb -0.15 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1k3j s PHE 68 CO 0.02 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.75 1k3j n GLY 69 N 1.31 -2.28 0.00 4.36 0.00 -0.81 0.19 105.19 107.96 1k3j n GLY 69 Ca -0.14 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.61 0.65 -2.99 1.61 1.74 -0.76 -0.80 116.66 115.50 1k3j n ARG 70 Ca 0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 1k3j n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k3j s ASN 71 N -2.25 7.21 0.00 0.55 3.04 -0.98 -4.76 114.94 117.75 1k3j s ASN 71 Ca 0.34 1.45 0.13 0.00 0.04 0.00 0.00 52.86 54.82 1k3j s ASN 71 Cb 0.18 -2.47 0.63 0.00 -1.54 0.00 0.00 41.25 38.06 1k3j s ASN 71 CO 0.36 0.03 1.36 -2.65 -3.04 0.00 0.00 177.10 173.15 1k3j n PRO 72 N 2.76 0.14 0.04 0.43 -0.02 -1.26 -2.13 135.00 134.95 1k3j n PRO 72 Ca -0.03 0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 1k3j n PRO 72 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.57 0.03 -1.37 3.55 0.00 -1.95 -3.46 119.26 118.63 1k3j h ALA 73 Ca 0.00 -0.89 -0.67 0.00 0.00 0.00 0.00 54.91 53.35 1k3j h ALA 73 Cb 0.15 0.28 0.10 0.00 0.00 0.00 0.00 17.79 18.32 1k3j h ALA 73 CO 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1k3j h ASP 75 N 1.94 0.00 -3.28 0.00 1.82 -0.09 -3.36 116.42 113.45 1k3j h ASP 75 Ca -0.36 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.74 1k3j h ASP 75 Cb 1.40 0.00 -0.38 0.00 0.68 0.00 0.00 39.33 41.03 1k3j h ASP 75 CO 0.61 0.00 -0.79 -0.47 -1.61 0.00 0.00 179.24 176.98 1k3j s TYR 76 N -4.02 1.53 -0.51 0.28 5.04 0.32 -4.89 117.35 115.10 1k3j s TYR 76 Ca -0.04 -0.91 -0.25 0.00 -2.44 0.00 0.00 57.07 53.44 1k3j s TYR 76 Cb 0.10 -1.24 0.03 0.00 0.35 0.00 0.00 41.96 41.20 1k3j s TYR 76 CO 0.31 -0.57 0.92 -1.58 -1.34 0.00 0.00 175.55 173.29 1k3j s HIS 77 N 1.69 2.86 0.00 4.97 2.46 -1.26 -1.91 115.29 124.10 1k3j s HIS 77 Ca 0.02 0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.71 1k3j s HIS 77 Cb -0.14 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 1k3j s HIS 77 CO -0.08 -1.22 0.03 1.28 -2.47 0.00 0.00 174.74 172.28 1k3j n LEU 78 N 7.28 1.96 0.00 8.88 4.77 0.02 -4.81 117.00 135.10 1k3j n LEU 78 Ca 0.04 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1k3j n LEU 78 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1k3j n LEU 78 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1k3j n GLY 79 N 2.40 -0.28 2.67 -0.72 0.00 -1.26 -4.57 105.19 103.42 1k3j n GLY 79 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.34 -4.37 1.61 0.23 -1.26 -4.70 115.26 105.43 1k3j n ASN 80 Ca 0.00 -1.91 -0.34 0.00 -0.53 0.00 0.00 54.58 51.80 1k3j n ASN 80 Cb 0.00 0.97 -0.14 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.10 3.36 0.50 1.53 1.09 -1.26 -4.99 121.20 121.53 1k3j s ILE 81 Ca 0.24 -0.53 0.21 0.00 -1.10 0.00 0.00 60.65 59.47 1k3j s ILE 81 Cb 0.25 -2.48 0.37 0.00 -1.06 0.00 0.00 42.46 39.54 1k3j s ILE 81 CO -0.14 0.47 1.98 -1.28 -0.10 0.00 0.00 174.94 175.88 1k3j h SER 82 N 7.33 0.13 -0.35 3.58 0.87 -2.00 0.05 113.55 123.16 1k3j h SER 82 Ca -0.34 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1k3j h SER 82 Cb 1.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1k3j h SER 82 CO 0.59 0.07 0.20 0.03 -0.53 0.00 0.00 176.83 177.19 1k3j h ARG 83 N 0.14 0.51 -6.27 2.24 2.47 -1.94 -3.42 114.38 108.11 1k3j h ARG 83 Ca 0.27 -0.05 -0.54 0.00 -1.26 0.00 0.00 59.98 58.40 1k3j h ARG 83 Cb 0.87 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 1k3j h ARG 83 CO -0.04 0.38 -0.28 -0.51 0.56 0.00 0.00 179.97 180.09 1k3j s LEU 84 N -9.37 4.20 0.47 3.04 1.02 0.00 -4.50 118.68 113.54 1k3j s LEU 84 Ca -0.08 0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.62 1k3j s LEU 84 Cb 0.17 -3.30 0.01 0.00 0.02 0.00 0.00 46.19 43.09 1k3j s LEU 84 CO 0.74 -0.05 0.68 -0.94 0.02 0.00 0.00 176.35 176.79 1k3j s SER 85 N -2.95 5.68 0.23 2.29 1.04 -1.26 -4.78 113.70 113.95 1k3j s SER 85 Ca 0.41 0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.81 1k3j s SER 85 Cb -0.11 -1.28 0.27 0.00 0.10 0.00 0.00 66.02 64.99 1k3j s SER 85 CO 0.28 -0.80 1.58 0.78 0.98 0.00 0.00 173.24 176.05 1k3j h ASN 86 N 0.36 -1.09 -3.66 7.02 2.35 -1.93 -2.70 115.58 115.93 1k3j h ASN 86 Ca -0.45 0.27 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.27 0.61 -0.41 0.00 0.05 0.00 0.00 38.32 39.84 1k3j h ASN 86 CO 0.55 -0.29 -0.61 -0.54 -1.65 0.00 0.00 177.43 174.89 1k3j s LYS 87 N -6.09 2.21 0.14 0.81 1.02 -1.26 -1.83 119.74 114.74 1k3j s LYS 87 Ca -0.14 -2.99 -0.17 0.00 0.02 0.00 0.00 55.97 52.69 1k3j s LYS 87 Cb 0.21 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1k3j s LYS 87 CO 0.73 -1.21 1.76 1.25 -0.92 0.00 0.00 175.35 176.96 1k3j h HIS 88 N 5.90 0.49 -3.98 3.18 2.76 0.24 -3.35 115.15 120.39 1k3j h HIS 88 Ca 0.05 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 1k3j h HIS 88 Cb 0.82 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.48 1k3j h HIS 88 CO 0.60 0.37 -0.44 -0.59 -1.30 0.00 0.00 177.93 176.57 1k3j s PHE 89 N -5.95 0.38 -0.02 5.26 -0.71 -0.87 0.15 117.98 116.23 1k3j s PHE 89 Ca -0.13 -0.80 0.01 0.00 -1.04 0.00 0.00 56.93 54.97 1k3j s PHE 89 Cb 0.10 -0.16 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1k3j s PHE 89 CO 0.73 -0.57 -0.05 -0.65 -1.34 0.00 0.00 175.22 173.34 1k3j s GLN 90 N -3.93 0.52 -0.13 1.99 -0.21 0.50 0.13 119.66 118.53 1k3j s GLN 90 Ca 0.12 -0.14 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 1k3j s GLN 90 Cb 0.05 -0.54 -0.01 0.00 1.00 0.00 0.00 33.01 33.51 1k3j s GLN 90 CO -0.06 0.04 -0.12 0.42 -2.12 0.00 0.00 175.29 173.45 1k3j s ILE 91 N 0.27 3.08 0.09 1.08 1.01 0.31 0.18 121.20 127.21 1k3j s ILE 91 Ca -0.03 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1k3j s ILE 91 Cb -0.07 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1k3j s ILE 91 CO -0.00 0.52 -0.10 -1.48 0.00 0.00 0.00 174.94 173.88 1k3j s LEU 92 N 0.40 3.05 -0.11 2.97 2.34 -0.28 0.20 118.68 127.25 1k3j s LEU 92 Ca -0.10 -0.35 0.02 0.00 0.06 0.00 0.00 54.13 53.76 1k3j s LEU 92 Cb -0.16 -1.83 0.02 0.00 -0.56 0.00 0.00 46.19 43.66 1k3j s LEU 92 CO 0.05 0.20 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.17 1k3j s LEU 93 N -2.06 1.71 0.00 1.48 1.98 0.53 -1.55 118.68 120.77 1k3j s LEU 93 Ca 0.21 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 51.02 1k3j s LEU 93 Cb -0.11 -1.09 0.00 0.00 0.66 0.00 0.00 46.19 45.65 1k3j s LEU 93 CO 0.13 0.01 0.00 0.61 -1.89 0.00 0.00 176.35 175.20 1k3j n GLY 94 N 4.25 -1.11 2.58 7.98 0.00 -1.22 -2.69 105.19 114.99 1k3j n GLY 94 Ca -0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.92 0.00 1.61 -0.58 -1.26 -3.49 120.64 113.00 1k3j n GLU 95 Ca 0.00 3.04 0.00 0.00 -0.42 0.00 0.00 57.16 59.78 1k3j n GLU 95 Cb 0.00 -4.99 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1k3j n ASP 96 N 1.20 0.00 -1.21 1.62 8.00 -1.26 -2.58 116.55 122.31 1k3j n ASP 96 Ca -0.23 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.27 1k3j n ASP 96 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.46 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3j n GLY 97 N 0.00 -0.58 3.80 0.44 0.00 -1.26 -4.78 105.19 102.82 1k3j n GLY 97 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1k3j n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3j s ASN 98 N -0.11 4.76 0.01 1.61 0.01 -1.07 -4.98 114.94 115.17 1k3j s ASN 98 Ca 0.01 -0.86 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 1k3j s ASN 98 Cb 0.03 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 1k3j s ASN 98 CO -0.01 -0.53 0.02 -0.76 -1.51 0.00 0.00 177.10 174.32 1k3j s LEU 99 N -3.99 3.61 0.01 0.60 1.43 -1.26 -3.46 118.68 115.63 1k3j s LEU 99 Ca 0.43 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1k3j s LEU 99 Cb -0.01 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1k3j s LEU 99 CO 0.25 0.26 -0.13 -0.76 0.23 0.00 0.00 176.35 176.20 1k3j s LEU 100 N -1.72 2.08 -0.21 1.79 1.43 -0.60 -1.81 118.68 119.65 1k3j s LEU 100 Ca 0.21 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1k3j s LEU 100 Cb -0.12 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1k3j s LEU 100 CO 0.13 0.11 -0.06 -0.22 0.23 0.00 0.00 176.35 176.54 1k3j s LEU 101 N -0.62 2.84 -0.24 1.79 2.96 -0.07 -1.13 118.68 124.21 1k3j s LEU 101 Ca 0.04 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1k3j s LEU 101 Cb -0.06 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1k3j s LEU 101 CO 0.00 -0.00 -0.07 0.21 -1.32 0.00 0.00 176.35 175.17 1k3j s ASN 102 N 1.36 4.26 0.24 3.68 2.47 0.48 -2.16 114.94 125.27 1k3j s ASN 102 Ca 0.04 -0.83 -0.30 0.00 0.42 0.00 0.00 52.86 52.19 1k3j s ASN 102 Cb -0.14 -1.66 -0.09 0.00 -1.45 0.00 0.00 41.25 37.91 1k3j s ASN 102 CO -0.03 -0.12 1.02 1.51 -3.72 0.00 0.00 177.10 175.76 1k3j s ASP 103 N 1.33 7.46 -0.25 -4.21 1.47 -1.25 0.19 116.67 121.40 1k3j s ASP 103 Ca 0.01 2.08 0.19 0.00 1.18 0.00 0.00 52.55 56.01 1k3j s ASP 103 Cb -0.16 -2.61 0.45 0.00 -0.34 0.00 0.00 42.92 40.25 1k3j s ASP 103 CO -0.05 -0.01 1.24 2.30 0.68 0.00 0.00 175.17 179.34 1k3j n ILE 104 N 1.53 0.74 -3.85 2.11 -5.35 -0.57 0.23 119.36 114.20 1k3j n ILE 104 Ca -0.01 -2.07 -0.29 0.00 -0.27 0.00 0.00 62.75 60.10 1k3j n ILE 104 Cb 0.46 1.16 -0.04 0.00 -1.74 0.00 0.00 39.64 39.48 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 -2.75 6.38 0.31 7.28 0.01 0.40 -4.20 113.70 121.14 1k3j s SER 105 Ca 0.21 0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.88 1k3j s SER 105 Cb 0.35 -1.98 0.52 0.00 0.21 0.00 0.00 66.02 65.12 1k3j s SER 105 CO -0.08 0.09 1.73 0.74 0.41 0.00 0.00 173.24 176.13 1k3j h THR 106 N 1.90 1.31 0.00 1.44 2.02 -1.87 -3.15 112.91 114.55 1k3j h THR 106 Ca -0.46 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1k3j h THR 106 Cb 1.17 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1k3j h THR 106 CO 0.73 0.44 -1.80 0.59 0.37 0.00 0.00 175.52 175.85 1k3j n ASN 107 N -4.03 0.17 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 1k3j n ASN 107 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1k3j n ASN 107 Cb 0.47 1.70 0.00 0.00 -0.61 0.00 0.00 39.78 41.34 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 1.25 3.19 3.36 7.41 0.00 -1.19 -4.86 105.19 114.34 1k3j n GLY 108 Ca -0.03 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.67 2.46 0.09 2.61 2.01 -1.26 -4.33 115.64 114.55 1k3j s THR 109 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1k3j s THR 109 CO 0.00 0.58 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 1k3j s TRP 110 N -0.45 2.54 -0.21 4.92 0.51 0.37 -2.72 118.94 123.90 1k3j s TRP 110 Ca 0.05 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 53.78 1k3j s TRP 110 Cb -0.12 -1.38 0.05 0.00 -0.81 0.00 0.00 33.47 31.21 1k3j s TRP 110 CO 0.01 0.34 -0.10 -0.51 -0.51 0.00 0.00 176.95 176.19 1k3j s LEU 111 N -1.90 2.38 -1.31 2.99 1.43 0.60 0.14 118.68 123.00 1k3j s LEU 111 Ca 0.17 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1k3j s LEU 111 Cb -0.11 -1.24 0.10 0.00 0.03 0.00 0.00 46.19 44.98 1k3j s LEU 111 CO 0.08 -0.16 0.51 0.59 0.23 0.00 0.00 176.35 177.60 1k3j n ASN 112 N 4.67 -3.09 0.00 2.29 3.02 -1.13 0.94 115.26 121.96 1k3j n ASN 112 Ca -0.14 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1k3j n ASN 112 Cb 0.46 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 113 N -1.12 0.93 3.42 7.41 0.00 -1.26 -5.03 105.19 109.53 1k3j n GLY 113 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1k3j n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.55 3.51 -0.15 1.61 -1.52 0.27 -5.06 119.66 117.76 1k3j s GLN 114 Ca 0.00 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 52.54 1k3j s GLN 114 Cb 0.00 -3.35 -0.02 0.00 -0.22 0.00 0.00 33.01 29.42 1k3j s GLN 114 CO 0.00 -0.26 1.35 0.21 -0.25 0.00 0.00 175.29 176.34 1k3j s LYS 115 N 1.59 4.20 0.42 2.91 2.47 -1.26 -0.29 119.74 129.78 1k3j s LYS 115 Ca 0.05 1.75 0.03 0.00 -1.56 0.00 0.00 55.97 56.25 1k3j s LYS 115 Cb -0.16 -3.82 -0.00 0.00 -1.46 0.00 0.00 37.83 32.39 1k3j s LYS 115 CO 0.03 -0.76 0.61 0.14 0.16 0.00 0.00 175.35 175.53 1k3j s VAL 116 N 3.68 3.82 0.03 4.02 -7.23 -1.10 -4.97 120.40 118.65 1k3j s VAL 116 Ca 0.59 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 1k3j s VAL 116 Cb -0.24 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 1k3j s VAL 116 CO 0.18 -0.22 1.41 -0.70 -0.31 0.00 0.00 175.10 175.46 1k3j s GLU 117 N -4.45 4.29 1.00 4.82 2.12 -1.26 -4.66 118.70 120.56 1k3j s GLU 117 Ca 0.49 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.69 1k3j s GLU 117 Cb -0.10 -3.50 0.06 0.00 0.26 0.00 0.00 34.13 30.86 1k3j s GLU 117 CO 0.36 -0.55 0.36 1.17 -0.54 0.00 0.00 175.26 176.06 1k3j n LYS 118 N 5.03 -0.67 -2.89 4.30 4.81 -1.26 -2.24 118.16 125.25 1k3j n LYS 118 Ca 0.13 -0.16 -0.15 0.00 -0.87 0.00 0.00 58.31 57.26 1k3j n LYS 118 Cb 0.43 -1.85 -0.03 0.00 0.02 0.00 0.00 35.03 33.60 1k3j n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1k3j n ASN 119 N -1.64 -1.07 -4.50 3.14 0.23 0.63 -4.86 115.26 107.19 1k3j n ASN 119 Ca 0.05 -0.24 -0.33 0.00 -0.53 0.00 0.00 54.58 53.53 1k3j n ASN 119 Cb 0.56 -0.99 -0.12 0.00 -2.08 0.00 0.00 39.78 37.14 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1k3j s SER 120 N -2.10 4.32 -0.04 0.53 0.15 -0.95 -4.91 113.70 110.70 1k3j s SER 120 Ca 0.30 -0.14 -0.27 0.00 0.70 0.00 0.00 55.95 56.53 1k3j s SER 120 Cb -0.18 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 1k3j s SER 120 CO 0.37 0.31 0.87 0.20 1.20 0.00 0.00 173.24 176.19 1k3j s ASN 121 N -0.50 7.19 0.06 5.45 -0.87 -1.26 -3.92 114.94 121.09 1k3j s ASN 121 Ca 0.07 1.44 0.05 0.00 -1.57 0.00 0.00 52.86 52.86 1k3j s ASN 121 Cb -0.12 -2.50 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 1k3j s ASN 121 CO 0.02 -0.23 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.06 1k3j s GLN 122 N 1.10 0.92 -0.16 -0.60 -1.52 -0.92 -4.92 119.66 113.56 1k3j s GLN 122 Ca 0.45 -0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 1k3j s GLN 122 Cb -0.19 -0.97 -0.02 0.00 -0.22 0.00 0.00 33.01 31.61 1k3j s GLN 122 CO 0.22 0.23 1.39 -1.17 -0.25 0.00 0.00 175.29 175.71 1k3j s LEU 123 N -1.50 4.16 1.06 2.90 2.96 -1.26 -0.89 118.68 126.09 1k3j s LEU 123 Ca 0.01 1.76 -0.13 0.00 -0.22 0.00 0.00 54.13 55.55 1k3j s LEU 123 Cb -0.09 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.25 1k3j s LEU 123 CO 0.02 -0.88 0.86 0.18 -1.32 0.00 0.00 176.35 175.21 1k3j n LEU 124 N 7.01 0.24 -4.30 -0.68 7.99 -0.75 -4.90 117.00 121.61 1k3j n LEU 124 Ca 0.15 0.10 -0.22 0.00 -0.01 0.00 0.00 56.01 56.03 1k3j n LEU 124 Cb 0.45 -1.29 -0.12 0.00 -0.11 0.00 0.00 43.42 42.35 1k3j n LEU 124 CO 0.59 -2.92 -0.49 -0.44 -1.51 0.00 0.00 177.39 172.61 1k3j s SER 125 N -2.37 2.55 -0.16 -1.43 0.01 -1.26 -4.97 113.70 106.06 1k3j s SER 125 Ca 0.65 -0.79 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1k3j s SER 125 Cb -0.22 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1k3j s SER 125 CO 0.63 -0.01 1.47 -1.10 0.41 0.00 0.00 173.24 174.64 1k3j s GLN 126 N -2.44 4.06 -1.71 12.44 -1.52 -1.26 -2.42 119.66 126.81 1k3j s GLN 126 Ca 0.11 1.76 0.00 0.00 -1.95 0.00 0.00 55.36 55.28 1k3j s GLN 126 Cb -0.07 -3.91 0.00 0.00 -0.22 0.00 0.00 33.01 28.80 1k3j s GLN 126 CO 0.05 -0.95 0.00 0.41 -0.25 0.00 0.00 175.29 174.55 1k3j n GLY 127 N 4.12 0.55 3.28 3.09 0.00 -0.77 -4.96 105.19 110.49 1k3j n GLY 127 Ca 0.16 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.23 -3.11 -3.78 1.61 2.03 -0.11 -4.50 116.55 107.46 1k3j n ASP 128 Ca -0.20 -0.52 -0.13 0.00 0.52 0.00 0.00 54.79 54.46 1k3j n ASP 128 Cb 0.63 -1.05 -0.13 0.00 -0.72 0.00 0.00 41.12 39.85 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 -4.48 0.19 -0.14 -0.67 2.12 -1.26 0.10 118.70 114.56 1k3j s GLU 129 Ca 0.63 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 56.30 1k3j s GLU 129 Cb -0.16 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.21 1k3j s GLU 129 CO 0.58 -0.09 -0.13 0.42 -0.54 0.00 0.00 175.26 175.50 1k3j s ILE 130 N 0.60 3.00 -0.11 -3.70 1.01 0.32 -2.85 121.20 119.47 1k3j s ILE 130 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1k3j s ILE 130 Cb -0.06 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1k3j s ILE 130 CO -0.03 0.52 0.06 -0.89 0.00 0.00 0.00 174.94 174.60 1k3j s THR 131 N 0.51 4.82 0.05 2.92 2.01 0.37 0.16 115.64 126.47 1k3j s THR 131 Ca -0.09 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k3j s THR 131 Cb -0.16 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1k3j s THR 131 CO 0.04 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.23 1k3j s VAL 132 N -0.85 0.20 0.00 3.82 -7.23 0.25 0.14 120.40 116.73 1k3j s VAL 132 Ca 0.13 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1k3j s VAL 132 Cb -0.12 -1.31 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 0.00 175.10 174.52 1k3j n GLY 133 N 0.34 0.82 3.76 2.32 0.00 -1.26 0.89 105.19 112.06 1k3j n GLY 133 Ca -0.16 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.50 3.71 0.00 1.61 1.01 -1.26 -3.29 120.40 119.69 1k3j s VAL 134 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1k3j s VAL 134 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1k3j s VAL 134 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1k3j n GLY 135 N 1.22 2.68 3.10 4.51 0.00 -1.26 -5.00 105.19 110.44 1k3j n GLY 135 Ca -0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 0.39 1.61 1.01 -1.26 -5.03 120.40 118.52 1k3j s VAL 136 Ca 0.00 -0.66 0.16 0.00 0.00 0.00 0.00 61.98 61.48 1k3j s VAL 136 Cb 0.00 -1.23 0.37 0.00 0.00 0.00 0.00 36.38 35.53 1k3j s VAL 136 CO 0.00 0.41 1.80 -0.08 0.00 0.00 0.00 175.10 177.23 1k3j h GLU 137 N 6.63 0.45 -0.33 2.72 4.22 -1.99 0.23 114.58 126.51 1k3j h GLU 137 Ca -0.30 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1k3j h GLU 137 Cb 1.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1k3j h GLU 137 CO 0.48 0.30 0.00 0.43 -2.18 0.00 0.00 179.01 178.03 1k3j n SER 138 N -4.60 2.47 -0.38 1.04 7.64 -1.26 -4.18 113.62 114.35 1k3j n SER 138 Ca 0.23 -1.88 0.08 0.00 1.01 0.00 0.00 58.87 58.30 1k3j n SER 138 Cb 0.76 -0.21 0.18 0.00 -1.01 0.00 0.00 64.21 63.92 1k3j n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k3j n ASP 139 N 0.85 1.97 -4.68 6.43 9.92 0.80 -5.01 116.55 126.83 1k3j n ASP 139 Ca 0.17 -3.54 -0.35 0.00 -0.53 0.00 0.00 54.79 50.54 1k3j n ASP 139 Cb 0.43 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.33 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1k3j s ILE 140 N -3.05 4.31 -0.05 0.53 1.01 -1.20 -4.39 121.20 118.35 1k3j s ILE 140 Ca 0.35 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1k3j s ILE 140 Cb 0.33 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1k3j s ILE 140 CO -0.03 0.60 -0.20 -0.22 0.00 0.00 0.00 174.94 175.09 1k3j s LEU 141 N -0.81 1.97 0.11 2.97 0.20 0.26 -4.96 118.68 118.41 1k3j s LEU 141 Ca 0.12 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 54.59 1k3j s LEU 141 Cb -0.11 -1.15 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 1k3j s LEU 141 CO 0.02 0.18 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.63 1k3j s SER 142 N 0.03 4.46 0.04 3.68 0.15 -1.26 0.86 113.70 121.66 1k3j s SER 142 Ca -0.06 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.24 1k3j s SER 142 Cb -0.13 -0.87 -0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1k3j s SER 142 CO 0.03 0.17 -0.08 -0.76 1.20 0.00 0.00 173.24 173.81 1k3j s LEU 143 N -2.29 2.22 -0.10 3.45 2.01 0.12 -3.75 118.68 120.34 1k3j s LEU 143 Ca 0.22 -0.48 0.02 0.00 0.01 0.00 0.00 54.13 53.90 1k3j s LEU 143 Cb -0.11 -0.20 -0.01 0.00 0.01 0.00 0.00 46.19 45.88 1k3j s LEU 143 CO 0.14 -0.16 -0.19 -0.69 1.01 0.00 0.00 176.35 176.47 1k3j s VAL 144 N -1.18 2.53 -0.23 -1.59 1.01 0.32 0.12 120.40 121.38 1k3j s VAL 144 Ca -0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1k3j s VAL 144 Cb -0.09 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1k3j s VAL 144 CO 0.00 0.55 0.06 -0.63 0.00 0.00 0.00 175.10 175.08 1k3j s ILE 145 N 0.23 4.30 -0.21 2.22 -1.09 0.28 0.12 121.20 127.04 1k3j s ILE 145 Ca -0.12 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 1k3j s ILE 145 Cb -0.16 -2.99 -0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1k3j s ILE 145 CO 0.07 0.37 -0.07 0.12 -1.23 0.00 0.00 174.94 174.20 1k3j s PHE 146 N 1.35 2.93 -0.06 3.97 5.36 0.27 -0.94 117.98 130.86 1k3j s PHE 146 Ca 0.05 -1.04 -0.25 0.00 -0.96 0.00 0.00 56.93 54.73 1k3j s PHE 146 Cb -0.15 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1k3j s PHE 146 CO 0.03 -0.59 0.78 0.42 -1.46 0.00 0.00 175.22 174.41 1k3j s ILE 147 N 1.45 4.99 -0.27 3.12 1.01 -1.26 0.13 121.20 130.36 1k3j s ILE 147 Ca 0.06 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 1k3j s ILE 147 Cb -0.14 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1k3j s ILE 147 CO -0.05 0.20 1.28 0.20 0.00 0.00 0.00 174.94 176.58 1k3j s ASN 148 N 0.89 6.74 0.46 3.58 -0.87 -1.18 -4.89 114.94 119.67 1k3j s ASN 148 Ca 0.41 1.31 0.15 0.00 -1.57 0.00 0.00 52.86 53.16 1k3j s ASN 148 Cb -0.18 -2.54 1.06 0.00 -0.02 0.00 0.00 41.25 39.57 1k3j s ASN 148 CO 0.20 -1.00 2.03 0.44 -2.57 0.00 0.00 177.10 176.19 1k3j h ASP 149 N 9.01 0.00 -0.69 -1.22 5.19 -1.94 -2.48 116.42 124.28 1k3j h ASP 149 Ca -0.26 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1k3j h ASP 149 Cb 1.10 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.56 1k3j h ASP 149 CO 1.02 0.14 0.42 0.50 -3.12 0.00 0.00 179.24 178.20 1k3j h LYS 150 N 0.00 0.77 -0.62 3.56 3.64 -1.93 -0.36 116.57 121.62 1k3j h LYS 150 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1k3j h LYS 150 Cb 0.25 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1k3j h LYS 150 CO 0.02 0.51 0.39 0.35 -2.27 0.00 0.00 179.45 178.45 1k3j h PHE 151 N 0.80 0.74 -0.61 1.91 3.04 -1.66 -1.70 116.94 119.45 1k3j h PHE 151 Ca 0.29 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 1k3j h PHE 151 Cb 0.09 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 1k3j h PHE 151 CO -0.05 0.43 0.11 -0.22 -2.02 0.00 0.00 178.31 176.55 1k3j h LYS 152 N 0.78 1.01 -0.52 1.11 3.64 -1.38 -2.61 116.57 118.60 1k3j h LYS 152 Ca 0.25 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1k3j h LYS 152 Cb -0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1k3j h LYS 152 CO -0.09 0.94 0.33 0.37 -2.27 0.00 0.00 179.45 178.73 1k3j h GLN 153 N 0.92 0.64 -0.40 1.90 -0.00 -0.59 0.31 115.11 117.89 1k3j h GLN 153 Ca 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1k3j h GLN 153 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1k3j h GLN 153 CO 0.01 0.42 0.26 0.00 0.00 0.00 0.00 178.83 179.53 1k3j h LEU 155 N 0.54 0.60 -1.38 0.00 3.38 -1.12 0.41 115.31 117.73 1k3j h LEU 155 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1k3j h LEU 155 Cb -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1k3j h LEU 155 CO -0.03 0.92 0.43 -0.08 0.09 0.00 0.00 178.44 179.76 1k3j h GLU 156 N 0.48 0.81 0.04 1.13 4.22 0.02 -2.82 114.58 118.46 1k3j h GLU 156 Ca 0.05 -0.05 -0.33 0.00 0.08 0.00 0.00 59.36 59.11 1k3j h GLU 156 Cb 0.87 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1k3j h GLU 156 CO 0.07 0.54 -1.92 1.04 -2.18 0.00 0.00 179.01 176.57 1k3j n GLN 157 N -4.45 0.68 -3.37 1.92 6.02 -0.83 -5.04 117.38 112.31 1k3j n GLN 157 Ca 0.07 0.25 -0.28 0.00 -0.01 0.00 0.00 57.00 57.02 1k3j n GLN 157 Cb 0.07 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 29.64 1k3j n GLN 157 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1k3j n ASN 158 N -3.16 -5.98 -4.41 1.08 0.23 0.14 -4.98 115.26 98.19 1k3j n ASN 158 Ca -0.25 0.05 -0.32 0.00 -0.53 0.00 0.00 54.58 53.53 1k3j n ASN 158 Cb 1.06 -2.05 -0.14 0.00 -2.08 0.00 0.00 39.78 36.56 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1k3j s LYS 159 N -2.17 2.54 0.22 -3.83 2.20 -1.26 -5.09 119.74 112.35 1k3j s LYS 159 Ca 0.29 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.83 1k3j s LYS 159 Cb -0.03 -2.32 -0.10 0.00 -1.51 0.00 0.00 37.83 33.87 1k3j s LYS 159 CO 0.70 0.53 1.49 0.54 -0.36 0.00 0.00 175.35 178.25 1k3j s VAL 160 N -0.50 2.65 0.60 4.02 0.11 -1.26 -4.74 120.40 121.28 1k3j s VAL 160 Ca 0.07 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1k3j s VAL 160 Cb -0.12 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1k3j s VAL 160 CO 0.01 0.07 0.00 0.47 -3.33 0.00 0.00 175.10 172.32 1k3j n ASP 161 N 2.96 -7.79 -2.45 3.54 8.00 -1.26 -4.41 116.55 115.13 1k3j n ASP 161 Ca 0.09 1.39 -0.30 0.00 0.71 0.00 0.00 54.79 56.68 1k3j n ASP 161 Cb 0.40 -4.84 0.01 0.00 -0.02 0.00 0.00 41.12 36.66 1k3j n ASP 161 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1k3j n ARG 162 N -4.30 2.43 -3.29 -1.24 1.74 -1.26 -4.94 116.66 105.80 1k3j n ARG 162 Ca -0.09 -2.67 -0.39 0.00 -0.77 0.00 0.00 57.85 53.93 1k3j n ARG 162 Cb 0.67 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 1k3j n ARG 162 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1k3j s ILE 163 N -3.46 5.13 0.00 0.55 -5.25 -1.26 -5.26 121.20 111.65 1k3j s ILE 163 Ca 0.53 0.87 0.00 0.00 -0.99 0.00 0.00 60.65 61.05 1k3j s ILE 163 Cb 0.39 -3.80 0.00 0.00 2.95 0.00 0.00 42.46 42.00 1k3j s ILE 163 CO -0.19 0.19 0.00 -1.14 -1.79 0.00 0.00 174.94 172.01