#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 -5.27 -0.07 0.00 -1.04 -1.26 -4.73 114.28 101.91 1k3j n THR 15 Ca 0.00 0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 62.11 1k3j n THR 15 Cb 0.00 -4.21 -0.02 0.00 -1.82 0.00 0.00 70.33 64.28 1k3j n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1k3j h GLN 16 N 1.72 0.34 -0.62 -2.82 -0.00 -2.07 -1.96 115.11 109.70 1k3j h GLN 16 Ca -0.47 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.19 1k3j h GLN 16 Cb 1.33 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.70 1k3j h GLN 16 CO 0.24 0.23 0.41 0.00 0.00 0.00 0.00 178.83 179.71 1k3j h ARG 17 N 0.35 0.76 -0.47 1.69 3.08 -2.02 -1.01 114.38 116.77 1k3j h ARG 17 Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1k3j h ARG 17 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1k3j h ARG 17 CO -0.03 0.50 0.26 0.35 -1.07 0.00 0.00 179.97 179.98 1k3j h PHE 18 N 0.78 0.62 -0.89 3.04 3.57 -1.70 -2.15 116.94 120.21 1k3j h PHE 18 Ca 0.24 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1k3j h PHE 18 Cb 0.01 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1k3j h PHE 18 CO -0.00 0.43 0.58 1.25 -2.23 0.00 0.00 178.31 178.34 1k3j h LEU 19 N 0.65 0.98 -0.66 0.59 5.85 -0.73 -2.08 115.31 119.90 1k3j h LEU 19 Ca 0.17 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 1k3j h LEU 19 Cb 0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1k3j h LEU 19 CO -0.03 0.68 -0.49 0.40 -0.34 0.00 0.00 178.44 178.67 1k3j h ILE 20 N 1.15 1.32 -0.56 4.05 1.08 -1.40 -2.96 117.51 120.19 1k3j h ILE 20 Ca 0.34 -1.70 0.08 0.00 -0.39 0.00 0.00 64.86 63.19 1k3j h ILE 20 Cb -0.05 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1k3j h ILE 20 CO -0.10 0.52 0.38 -0.33 -0.69 0.00 0.00 178.15 177.93 1k3j h GLU 21 N 0.37 0.42 0.00 2.37 4.39 -0.93 0.18 114.58 121.38 1k3j h GLU 21 Ca 0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1k3j h GLU 21 Cb 0.99 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1k3j h GLU 21 CO 0.09 0.28 -0.12 0.87 -1.16 0.00 0.00 179.01 178.96 1k3j h LYS 22 N 0.43 0.00 -0.37 2.33 6.56 -1.33 -2.96 116.57 121.23 1k3j h LYS 22 Ca 0.25 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.89 1k3j h LYS 22 Cb 0.43 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.05 1k3j h LYS 22 CO -0.07 0.12 0.13 0.35 -2.06 0.00 0.00 179.45 177.92 1k3j h PHE 23 N 0.00 0.23 -0.16 -1.35 3.04 -0.72 0.45 116.94 118.42 1k3j h PHE 23 Ca -0.00 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.76 1k3j h PHE 23 Cb 0.43 -0.05 0.01 0.00 2.56 0.00 0.00 35.95 38.90 1k3j h PHE 23 CO 0.00 0.09 -0.70 0.77 -2.02 0.00 0.00 178.31 176.45 1k3j h SER 24 N 0.28 0.89 0.34 0.41 0.02 -1.62 -3.36 113.55 110.52 1k3j h SER 24 Ca 0.17 -0.62 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1k3j h SER 24 Cb 0.15 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1k3j h SER 24 CO -0.18 1.36 -0.17 -0.61 -1.14 0.00 0.00 176.83 176.10 1k3j h GLN 25 N 0.48 -0.44 -6.41 3.45 4.15 -1.33 -3.43 115.11 111.57 1k3j h GLN 25 Ca -0.04 0.03 -0.54 0.00 0.77 0.00 0.00 58.65 58.87 1k3j h GLN 25 Cb 1.33 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1k3j h GLN 25 CO 0.15 -0.30 0.15 -1.21 -1.93 0.00 0.00 178.83 175.68 1k3j s GLU 26 N -3.68 4.50 -0.33 1.69 2.02 0.15 -5.03 118.70 118.02 1k3j s GLU 26 Ca -0.07 1.07 -0.22 0.00 0.02 0.00 0.00 54.97 55.78 1k3j s GLU 26 Cb 0.01 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1k3j s GLU 26 CO 0.20 0.49 0.72 -1.14 0.02 0.00 0.00 175.26 175.55 1k3j s GLN 27 N -0.79 3.86 0.16 1.61 0.74 -1.26 -4.52 119.66 119.46 1k3j s GLN 27 Ca 0.36 0.37 -0.28 0.00 0.05 0.00 0.00 55.36 55.86 1k3j s GLN 27 Cb -0.22 -3.76 -0.08 0.00 1.10 0.00 0.00 33.01 30.06 1k3j s GLN 27 CO 0.24 -0.70 0.86 0.42 -0.55 0.00 0.00 175.29 175.57 1k3j s ILE 28 N 2.86 4.34 -0.47 -2.34 -1.09 -1.26 -5.02 121.20 118.22 1k3j s ILE 28 Ca 0.29 1.89 0.07 0.00 -2.23 0.00 0.00 60.65 60.67 1k3j s ILE 28 Cb -0.14 -4.23 0.18 0.00 -1.58 0.00 0.00 42.46 36.69 1k3j s ILE 28 CO 0.14 0.46 0.67 -0.83 -1.23 0.00 0.00 174.94 174.15 1k3j s GLY 29 N -0.81 -1.17 0.22 6.18 0.00 -1.26 -5.00 107.32 105.48 1k3j s GLY 29 Ca 0.40 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.77 1k3j s GLY 29 CO 0.28 3.60 1.88 -2.09 0.00 0.00 0.00 173.10 176.78 1k3j h GLU 30 N 5.79 1.06 0.00 2.90 4.22 -2.01 -3.41 114.58 123.13 1k3j h GLU 30 Ca 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1k3j h GLU 30 Cb 1.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1k3j h GLU 30 CO 0.06 0.71 0.00 -1.71 -2.18 0.00 0.00 179.01 175.89 1k3j n ASN 31 N -4.52 0.00 -4.74 1.04 2.85 -1.26 -5.08 115.26 103.55 1k3j n ASN 31 Ca 0.08 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.14 1k3j n ASN 31 Cb 0.02 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.01 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k3j s ILE 32 N 0.00 3.43 -0.15 -1.44 -1.09 -1.26 -1.10 121.20 119.58 1k3j s ILE 32 Ca 0.00 1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 59.54 1k3j s ILE 32 Cb 0.00 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1k3j s ILE 32 CO 0.00 0.21 -0.18 0.52 -1.23 0.00 0.00 174.94 174.26 1k3j n VAL 33 N 2.27 1.44 -3.92 2.92 0.31 0.13 -4.57 118.33 116.91 1k3j n VAL 33 Ca 0.04 0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 1k3j n VAL 33 Cb 0.44 -2.36 -0.08 0.00 -0.91 0.00 0.00 33.84 30.93 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 -3.88 2.19 -0.25 0.00 3.52 0.31 -1.24 118.95 119.60 1k3j s ARG 35 Ca 0.06 -0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 54.66 1k3j s ARG 35 Cb 0.06 -2.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1k3j s ARG 35 CO -0.10 0.47 0.24 0.08 -0.81 0.00 0.00 175.30 175.18 1k3j s VAL 36 N -0.41 5.29 -0.11 7.11 1.01 -0.93 0.10 120.40 132.47 1k3j s VAL 36 Ca 0.04 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1k3j s VAL 36 Cb -0.11 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1k3j s VAL 36 CO 0.01 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.68 1k3j s ILE 37 N 1.48 0.99 -0.47 2.22 1.01 0.33 -2.21 121.20 124.54 1k3j s ILE 37 Ca 0.10 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 1k3j s ILE 37 Cb -0.15 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1k3j s ILE 37 CO 0.08 0.36 0.89 0.00 0.00 0.00 0.00 174.94 176.26 1k3j h THR 39 N 6.04 1.18 0.00 0.00 1.35 -1.92 -3.13 112.91 116.43 1k3j h THR 39 Ca -0.25 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1k3j h THR 39 Cb 1.08 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1k3j h THR 39 CO 1.02 0.63 0.00 0.35 -0.25 0.00 0.00 175.52 177.27 1k3j n THR 40 N -3.36 0.00 -2.51 6.82 -2.24 -1.25 -4.96 114.28 106.79 1k3j n THR 40 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1k3j n THR 40 Cb 0.75 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.13 -1.14 1.05 3.38 0.00 -1.18 -5.01 105.19 103.43 1k3j n GLY 41 Ca 0.19 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -0.48 0.00 -4.95 1.61 6.02 -1.26 -5.12 117.38 113.19 1k3j n GLN 42 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 1k3j n GLN 42 Cb 0.36 -0.15 -0.14 0.00 1.02 0.00 0.00 30.24 31.33 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 -1.53 2.70 0.41 5.09 1.01 -1.26 -5.01 121.20 122.61 1k3j s ILE 43 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 1k3j s ILE 43 Cb 0.00 -2.04 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 1k3j s ILE 43 CO 0.00 0.52 1.06 -2.16 0.00 0.00 0.00 174.94 174.37 1k3j s PRO 44 N -0.88 4.11 0.71 2.79 0.04 -1.26 -4.14 135.00 136.37 1k3j s PRO 44 Ca 0.12 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1k3j s PRO 44 Cb -0.10 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 1k3j s PRO 44 CO 0.01 -0.20 0.63 -0.89 0.04 0.00 0.00 177.00 176.60 1k3j n ILE 45 N -0.14 2.06 -4.03 0.56 5.41 -1.26 -4.88 119.36 117.08 1k3j n ILE 45 Ca 0.05 -0.40 -0.08 0.00 1.00 0.00 0.00 62.75 63.32 1k3j n ILE 45 Cb 0.49 -0.82 -0.09 0.00 -0.71 0.00 0.00 39.64 38.52 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 -2.84 0.79 -0.18 0.38 3.52 -0.94 -5.00 118.95 114.69 1k3j s ARG 46 Ca 0.68 -1.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 1k3j s ARG 46 Cb -0.36 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1k3j s ARG 46 CO 0.56 -0.21 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.13 1k3j s ASP 47 N -2.94 3.22 -0.14 -2.12 1.11 -1.26 -2.19 116.67 112.36 1k3j s ASP 47 Ca 0.11 -0.66 -0.07 0.00 0.18 0.00 0.00 52.55 52.11 1k3j s ASP 47 Cb 0.07 -1.49 -0.04 0.00 1.07 0.00 0.00 42.92 42.52 1k3j s ASP 47 CO -0.07 -0.01 0.12 -0.76 1.18 0.00 0.00 175.17 175.63 1k3j s LEU 48 N 1.29 4.21 0.06 1.23 1.43 -0.37 -5.03 118.68 121.51 1k3j s LEU 48 Ca 0.05 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1k3j s LEU 48 Cb -0.13 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1k3j s LEU 48 CO -0.12 0.34 0.11 -0.94 0.23 0.00 0.00 176.35 175.96 1k3j s SER 49 N -0.61 0.23 -0.05 2.29 1.04 -1.26 0.23 113.70 115.57 1k3j s SER 49 Ca 0.12 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.78 1k3j s SER 49 Cb -0.12 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1k3j s SER 49 CO 0.02 -0.63 0.18 0.00 0.98 0.00 0.00 173.24 173.79 1k3j s ALA 50 N -3.50 -0.45 -0.15 5.32 0.00 -0.26 -4.78 121.76 117.95 1k3j s ALA 50 Ca 0.02 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1k3j s ALA 50 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1k3j s ALA 50 CO -0.09 -0.14 1.27 -0.51 0.00 0.00 0.00 175.76 176.30 1k3j s ASP 51 N -0.44 6.94 0.14 0.00 1.11 -1.26 -4.70 116.67 118.46 1k3j s ASP 51 Ca -0.05 1.73 -0.14 0.00 0.18 0.00 0.00 52.55 54.26 1k3j s ASP 51 Cb -0.04 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1k3j s ASP 51 CO 0.01 -0.75 1.64 0.40 1.18 0.00 0.00 175.17 177.65 1k3j h ILE 52 N 5.44 1.23 -0.98 0.77 2.04 -1.98 -2.28 117.51 121.75 1k3j h ILE 52 Ca -0.28 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 64.83 1k3j h ILE 52 Cb 1.11 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 1k3j h ILE 52 CO 0.96 0.29 0.63 0.28 0.00 0.00 0.00 178.15 180.31 1k3j h SER 53 N 0.59 1.00 -0.18 1.72 0.02 -1.99 0.25 113.55 114.97 1k3j h SER 53 Ca 0.14 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1k3j h SER 53 Cb 0.32 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1k3j h SER 53 CO 0.00 0.64 -0.32 1.56 -1.14 0.00 0.00 176.83 177.57 1k3j h GLN 54 N 1.14 0.68 -0.10 3.45 1.08 -1.94 0.63 115.11 120.05 1k3j h GLN 54 Ca 0.43 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1k3j h GLN 54 Cb 0.18 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1k3j h GLN 54 CO -0.18 0.91 -0.01 0.28 -0.95 0.00 0.00 178.83 178.88 1k3j h VAL 55 N 0.58 1.26 -0.02 -0.54 2.07 -0.64 -0.64 116.25 118.32 1k3j h VAL 55 Ca 0.07 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 1k3j h VAL 55 Cb 0.83 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1k3j h VAL 55 CO 0.07 0.24 -0.55 -0.07 0.02 0.00 0.00 177.57 177.28 1k3j h LEU 56 N -0.12 0.05 -0.26 2.57 -0.00 -0.97 -3.14 115.31 113.44 1k3j h LEU 56 Ca 0.03 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 1k3j h LEU 56 Cb 0.37 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1k3j h LEU 56 CO 0.01 0.59 -0.35 0.11 -0.00 0.00 0.00 178.44 178.80 1k3j h LYS 57 N 0.04 0.69 -5.68 1.13 1.57 -0.77 -3.43 116.57 110.12 1k3j h LYS 57 Ca -0.00 -0.40 -0.63 0.00 -1.87 0.00 0.00 60.65 57.75 1k3j h LYS 57 Cb 0.98 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 1k3j h LYS 57 CO 0.07 1.01 -0.37 -1.21 -0.57 0.00 0.00 179.45 178.39 1k3j s GLU 58 N -4.23 3.82 -0.42 3.15 2.02 -0.26 -5.03 118.70 117.75 1k3j s GLU 58 Ca -0.12 0.06 0.09 0.00 0.02 0.00 0.00 54.97 55.02 1k3j s GLU 58 Cb 0.08 -3.27 0.29 0.00 0.10 0.00 0.00 34.13 31.34 1k3j s GLU 58 CO 0.83 0.59 0.65 0.36 0.02 0.00 0.00 175.26 177.72 1k3j n LYS 59 N 2.42 1.19 -0.01 1.61 2.85 -1.26 -4.74 118.16 120.22 1k3j n LYS 59 Ca -0.16 -3.56 -0.01 0.00 -1.05 0.00 0.00 58.31 53.53 1k3j n LYS 59 Cb 0.53 -1.58 -0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1k3j n ARG 60 N 0.81 0.06 0.07 -1.58 1.74 -1.26 -5.09 116.66 111.41 1k3j n ARG 60 Ca 0.24 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1k3j n ARG 60 Cb 0.55 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 1k3j n ARG 60 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1k3j n SER 61 N -2.80 -1.34 -4.77 0.55 7.64 -1.26 -5.10 113.62 106.54 1k3j n SER 61 Ca -0.02 0.61 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 1k3j n SER 61 Cb 0.06 1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 64.76 1k3j n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1k3j s ILE 62 N -2.00 4.75 0.02 0.44 1.10 -1.26 -4.33 121.20 119.91 1k3j s ILE 62 Ca 0.00 -0.26 -0.01 0.00 -0.51 0.00 0.00 60.65 59.87 1k3j s ILE 62 Cb 0.00 -3.11 -0.00 0.00 0.15 0.00 0.00 42.46 39.50 1k3j s ILE 62 CO 0.00 0.47 -0.02 1.17 -2.11 0.00 0.00 174.94 174.45 1k3j n LYS 63 N 1.58 0.03 -3.76 3.50 3.00 -1.11 -4.99 118.16 116.42 1k3j n LYS 63 Ca -0.16 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.04 1k3j n LYS 63 Cb 0.53 -0.27 -0.13 0.00 0.00 0.00 0.00 35.03 35.16 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1k3j s LYS 64 N -1.37 0.16 -0.01 1.64 2.20 -1.17 -5.02 119.74 116.17 1k3j s LYS 64 Ca -0.02 0.39 0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1k3j s LYS 64 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1k3j s LYS 64 CO 0.02 -0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 174.82 1k3j s VAL 65 N 0.93 1.18 -0.12 4.02 1.01 -1.26 -0.93 120.40 125.24 1k3j s VAL 65 Ca -0.07 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1k3j s VAL 65 Cb -0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1k3j s VAL 65 CO -0.05 0.34 0.13 0.26 0.00 0.00 0.00 175.10 175.77 1k3j s TRP 66 N -0.29 3.56 -0.18 5.22 0.51 0.49 -4.88 118.94 123.37 1k3j s TRP 66 Ca 0.05 0.50 -0.04 0.00 -2.12 0.00 0.00 56.10 54.48 1k3j s TRP 66 Cb -0.06 -1.93 -0.03 0.00 -0.81 0.00 0.00 33.47 30.64 1k3j s TRP 66 CO -0.00 0.72 -0.02 0.99 -0.51 0.00 0.00 176.95 178.12 1k3j s THR 67 N -1.02 3.90 0.04 2.01 2.01 -1.26 0.40 115.64 121.73 1k3j s THR 67 Ca 0.15 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1k3j s THR 67 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1k3j s THR 67 CO 0.04 0.46 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.95 1k3j s PHE 68 N 0.68 2.73 -4.60 4.92 0.40 0.59 0.59 117.98 123.30 1k3j s PHE 68 Ca -0.01 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1k3j s PHE 68 Cb -0.14 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1k3j s PHE 68 CO 0.02 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.69 1k3j n GLY 69 N 1.38 -1.94 0.00 4.36 0.00 -1.08 0.11 105.19 108.01 1k3j n GLY 69 Ca -0.15 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.36 0.96 -2.97 1.61 1.74 0.29 -3.11 116.66 114.82 1k3j n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1k3j n ARG 70 Cb 0.00 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.93 7.14 0.00 0.55 2.47 -0.27 -4.77 114.94 118.13 1k3j s ASN 71 Ca 0.42 1.37 0.12 0.00 0.42 0.00 0.00 52.86 55.19 1k3j s ASN 71 Cb 0.19 -2.46 0.53 0.00 -1.45 0.00 0.00 41.25 38.06 1k3j s ASN 71 CO 0.33 -0.08 1.33 -2.65 -3.72 0.00 0.00 177.10 172.31 1k3j n PRO 72 N 3.38 0.07 0.04 0.43 -0.02 -1.26 -2.01 135.00 135.62 1k3j n PRO 72 Ca -0.01 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1k3j n PRO 72 Cb 0.51 -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 2.46 0.04 -1.13 3.55 0.00 -1.94 -3.47 119.26 118.77 1k3j h ALA 73 Ca 0.00 -0.92 -0.68 0.00 0.00 0.00 0.00 54.91 53.31 1k3j h ALA 73 Cb 0.16 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.36 1k3j h ALA 73 CO 0.00 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.55 1k3j h ASP 75 N 1.49 0.00 -3.26 0.00 1.82 -0.17 -3.37 116.42 112.93 1k3j h ASP 75 Ca -0.33 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 55.79 1k3j h ASP 75 Cb 1.42 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 41.08 1k3j h ASP 75 CO 0.59 0.00 -0.81 -0.47 -1.61 0.00 0.00 179.24 176.94 1k3j s TYR 76 N -3.93 1.49 -0.25 0.28 6.14 -0.25 -4.92 117.35 115.91 1k3j s TYR 76 Ca -0.04 -0.69 -0.10 0.00 0.64 0.00 0.00 57.07 56.89 1k3j s TYR 76 Cb 0.09 -1.19 -0.05 0.00 0.42 0.00 0.00 41.96 41.24 1k3j s TYR 76 CO 0.29 -0.44 0.15 -1.58 0.64 0.00 0.00 175.55 174.61 1k3j s HIS 77 N 1.35 3.25 0.00 4.97 5.65 -1.26 -2.65 115.29 126.60 1k3j s HIS 77 Ca -0.02 0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.40 1k3j s HIS 77 Cb -0.14 -2.29 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 1k3j s HIS 77 CO -0.04 -0.05 0.00 1.47 -0.65 0.00 0.00 174.74 175.47 1k3j n LEU 78 N 4.56 0.00 0.00 8.88 -0.00 -1.18 -4.84 117.00 124.41 1k3j n LEU 78 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1k3j n LEU 78 Cb 0.52 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1k3j n LEU 78 CO 0.34 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 177.95 1k3j n GLY 79 N 2.57 0.79 2.73 1.47 0.00 -1.26 -4.86 105.19 106.63 1k3j n GLY 79 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.42 -4.80 1.61 0.23 -1.26 -4.46 115.26 104.16 1k3j n ASN 80 Ca 0.00 -3.06 -0.38 0.00 -0.53 0.00 0.00 54.58 50.62 1k3j n ASN 80 Cb 0.00 1.63 -0.06 0.00 -2.08 0.00 0.00 39.78 39.27 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 0.47 5.14 0.22 1.53 1.01 -1.26 -4.99 121.20 123.32 1k3j s ILE 81 Ca 0.28 0.77 -0.09 0.00 0.00 0.00 0.00 60.65 61.61 1k3j s ILE 81 Cb 0.24 -3.70 0.18 0.00 0.01 0.00 0.00 42.46 39.20 1k3j s ILE 81 CO -0.18 0.50 1.86 -1.28 0.00 0.00 0.00 174.94 175.84 1k3j h SER 82 N 5.45 1.00 0.14 3.58 0.87 -2.00 -1.82 113.55 120.77 1k3j h SER 82 Ca -0.48 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 59.99 1k3j h SER 82 Cb 1.20 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1k3j h SER 82 CO 0.66 0.78 -0.10 -0.09 -0.53 0.00 0.00 176.83 177.55 1k3j h ARG 83 N 1.14 0.00 -6.17 2.24 9.65 -1.94 -3.42 114.38 115.88 1k3j h ARG 83 Ca 0.30 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.61 1k3j h ARG 83 Cb -0.03 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1k3j h ARG 83 CO -0.05 0.10 -0.34 -0.51 2.80 0.00 0.00 179.97 181.97 1k3j s LEU 84 N -8.42 4.26 0.36 3.80 1.43 -0.68 -4.54 118.68 114.88 1k3j s LEU 84 Ca -0.04 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1k3j s LEU 84 Cb 0.16 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1k3j s LEU 84 CO 0.65 0.02 0.53 -0.94 0.23 0.00 0.00 176.35 176.84 1k3j s SER 85 N -2.78 5.98 0.23 2.29 1.04 -1.26 -4.67 113.70 114.52 1k3j s SER 85 Ca 0.39 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 1k3j s SER 85 Cb -0.12 -1.43 0.25 0.00 0.10 0.00 0.00 66.02 64.83 1k3j s SER 85 CO 0.27 -0.48 1.57 0.78 0.98 0.00 0.00 173.24 176.36 1k3j h ASN 86 N 0.75 -1.21 -3.81 7.02 2.35 -1.92 -2.66 115.58 116.10 1k3j h ASN 86 Ca -0.47 0.28 -0.64 0.00 -0.55 0.00 0.00 56.30 54.93 1k3j h ASN 86 Cb 1.25 0.66 -0.41 0.00 0.05 0.00 0.00 38.32 39.87 1k3j h ASN 86 CO 0.55 -0.29 -0.58 -0.54 -1.65 0.00 0.00 177.43 174.92 1k3j s LYS 87 N -6.04 2.25 0.13 0.81 1.02 -1.26 0.11 119.74 116.76 1k3j s LYS 87 Ca -0.14 -2.95 -0.15 0.00 0.02 0.00 0.00 55.97 52.75 1k3j s LYS 87 Cb 0.20 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1k3j s LYS 87 CO 0.72 -1.19 1.61 1.25 -0.92 0.00 0.00 175.35 176.82 1k3j h HIS 88 N 6.04 0.70 -3.46 3.18 2.76 0.12 -3.35 115.15 121.13 1k3j h HIS 88 Ca 0.02 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 1k3j h HIS 88 Cb 0.83 -0.19 -0.11 0.00 1.55 0.00 0.00 27.41 29.49 1k3j h HIS 88 CO 0.60 0.68 -0.08 -0.59 -1.30 0.00 0.00 177.93 177.25 1k3j s PHE 89 N -5.21 -0.04 0.08 5.26 -0.71 -0.68 0.16 117.98 116.85 1k3j s PHE 89 Ca -0.13 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.47 1k3j s PHE 89 Cb 0.10 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1k3j s PHE 89 CO 0.77 -0.80 -0.07 -0.65 -1.34 0.00 0.00 175.22 173.13 1k3j s GLN 90 N -3.87 0.75 -0.06 1.99 -0.21 0.54 0.22 119.66 119.02 1k3j s GLN 90 Ca 0.09 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.34 1k3j s GLN 90 Cb 0.01 -0.25 0.01 0.00 1.00 0.00 0.00 33.01 33.77 1k3j s GLN 90 CO -0.05 0.01 -0.14 0.42 -2.12 0.00 0.00 175.29 173.41 1k3j s ILE 91 N -2.90 1.24 0.10 1.08 1.01 0.16 0.14 121.20 122.03 1k3j s ILE 91 Ca 0.05 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.23 1k3j s ILE 91 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1k3j s ILE 91 CO -0.03 0.37 -0.26 -1.48 0.00 0.00 0.00 174.94 173.54 1k3j s LEU 92 N 0.39 2.27 -0.12 2.97 2.34 0.14 0.19 118.68 126.86 1k3j s LEU 92 Ca -0.10 -0.69 0.01 0.00 0.06 0.00 0.00 54.13 53.41 1k3j s LEU 92 Cb -0.14 -1.20 0.02 0.00 -0.56 0.00 0.00 46.19 44.31 1k3j s LEU 92 CO 0.03 0.19 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.14 1k3j s LEU 93 N -1.80 1.69 0.00 1.48 2.96 -0.10 -0.96 118.68 121.95 1k3j s LEU 93 Ca 0.12 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1k3j s LEU 93 Cb -0.10 -1.12 0.05 0.00 0.50 0.00 0.00 46.19 45.52 1k3j s LEU 93 CO 0.05 -0.02 0.43 0.61 -1.32 0.00 0.00 176.35 176.10 1k3j n GLY 94 N 4.44 1.90 3.12 7.98 0.00 -1.26 -2.74 105.19 118.62 1k3j n GLY 94 Ca -0.18 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.30 1k3j n GLY 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k3j s GLU 95 N -3.40 3.27 0.00 1.61 1.03 -1.26 -4.62 118.70 115.33 1k3j s GLU 95 Ca 0.32 -3.23 0.00 0.00 0.03 0.00 0.00 54.97 52.09 1k3j s GLU 95 Cb -0.03 -3.97 0.00 0.00 -0.80 0.00 0.00 34.13 29.34 1k3j s GLU 95 CO 0.20 -1.26 0.00 -3.47 -1.33 0.00 0.00 175.26 169.41 1k3j n ASP 96 N 2.43 0.00 0.00 0.83 -0.08 -1.26 -5.02 116.55 113.45 1k3j n ASP 96 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1k3j n ASP 96 Cb 0.37 0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k3j n GLY 97 N -0.82 0.12 3.58 0.27 0.00 -1.26 -5.03 105.19 102.05 1k3j n GLY 97 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1k3j n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j s ASN 98 N -0.14 -0.23 0.20 1.61 2.20 -1.26 -5.09 114.94 112.23 1k3j s ASN 98 Ca 0.00 -0.07 0.06 0.00 -0.94 0.00 0.00 52.86 51.91 1k3j s ASN 98 Cb 0.00 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.51 1k3j s ASN 98 CO 0.00 -0.50 0.12 -0.76 -2.94 0.00 0.00 177.10 173.01 1k3j s LEU 99 N -2.51 3.67 0.02 3.54 2.01 -1.26 -4.10 118.68 120.05 1k3j s LEU 99 Ca 0.08 -0.26 0.04 0.00 0.01 0.00 0.00 54.13 54.01 1k3j s LEU 99 Cb -0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 46.19 43.93 1k3j s LEU 99 CO -0.05 0.03 -0.12 -0.76 1.01 0.00 0.00 176.35 176.46 1k3j s LEU 100 N -3.35 2.11 -0.16 1.79 1.02 -0.13 -0.16 118.68 119.81 1k3j s LEU 100 Ca 0.31 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 1k3j s LEU 100 Cb -0.09 -0.54 -0.01 0.00 0.02 0.00 0.00 46.19 45.58 1k3j s LEU 100 CO 0.23 0.05 -0.13 -0.22 0.02 0.00 0.00 176.35 176.30 1k3j s LEU 101 N -0.80 2.62 -0.24 1.79 1.98 -0.70 -0.69 118.68 122.65 1k3j s LEU 101 Ca 0.02 -0.41 -0.01 0.00 -2.89 0.00 0.00 54.13 50.83 1k3j s LEU 101 Cb -0.06 -1.61 0.02 0.00 0.66 0.00 0.00 46.19 45.20 1k3j s LEU 101 CO 0.00 0.10 -0.07 0.21 -1.89 0.00 0.00 176.35 174.70 1k3j s ASN 102 N 0.76 4.22 0.30 3.68 2.47 0.36 -2.53 114.94 124.21 1k3j s ASN 102 Ca -0.05 -0.84 -0.27 0.00 0.42 0.00 0.00 52.86 52.12 1k3j s ASN 102 Cb -0.15 -1.65 -0.10 0.00 -1.45 0.00 0.00 41.25 37.90 1k3j s ASN 102 CO 0.01 -0.11 0.95 1.51 -3.72 0.00 0.00 177.10 175.74 1k3j s ASP 103 N 1.32 7.39 -0.18 -4.21 1.47 -1.25 0.20 116.67 121.41 1k3j s ASP 103 Ca 0.01 1.89 0.16 0.00 1.18 0.00 0.00 52.55 55.78 1k3j s ASP 103 Cb -0.16 -2.59 0.36 0.00 -0.34 0.00 0.00 42.92 40.19 1k3j s ASP 103 CO -0.05 -0.03 1.23 2.30 0.68 0.00 0.00 175.17 179.30 1k3j n ILE 104 N 0.79 0.37 -3.63 2.11 -5.35 -0.74 0.21 119.36 113.12 1k3j n ILE 104 Ca 0.01 -1.35 -0.31 0.00 -0.27 0.00 0.00 62.75 60.84 1k3j n ILE 104 Cb 0.49 0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 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 -2.05 6.48 0.31 7.28 0.01 0.43 -4.21 113.70 121.95 1k3j s SER 105 Ca 0.17 0.59 0.09 0.00 1.31 0.00 0.00 55.95 58.11 1k3j s SER 105 Cb 0.31 -2.09 0.52 0.00 0.21 0.00 0.00 66.02 64.97 1k3j s SER 105 CO -0.08 0.00 1.73 0.74 0.41 0.00 0.00 173.24 176.04 1k3j h THR 106 N 1.89 1.31 0.00 1.44 2.02 -1.86 -3.16 112.91 114.55 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 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1k3j h THR 106 CO 0.71 0.44 -1.78 0.59 0.37 0.00 0.00 175.52 175.85 1k3j n ASN 107 N -4.03 0.18 0.00 4.18 3.02 -1.26 -5.09 115.26 112.26 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 1.68 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 1.25 3.29 3.36 7.41 0.00 -1.20 -4.84 105.19 114.46 1k3j n GLY 108 Ca -0.03 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.49 2.48 0.09 2.61 2.01 -1.26 -4.30 115.64 114.77 1k3j s THR 109 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 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 -0.43 2.53 -0.21 4.92 0.51 0.38 -2.67 118.94 123.98 1k3j s TRP 110 Ca 0.05 -0.27 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 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 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.53 1k3j s LEU 111 N -1.90 2.42 -1.66 2.99 2.96 0.10 0.13 118.68 123.73 1k3j s LEU 111 Ca 0.17 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 1k3j s LEU 111 Cb -0.11 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 111 CO 0.08 -0.17 0.58 0.59 -1.32 0.00 0.00 176.35 176.11 1k3j n ASN 112 N 4.66 -1.88 0.00 3.68 5.03 -1.07 0.90 115.26 126.59 1k3j n ASN 112 Ca -0.14 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.22 1k3j n ASN 112 Cb 0.46 -2.45 0.00 0.00 -1.02 0.00 0.00 39.78 36.77 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 -1.61 1.75 3.44 7.41 0.00 -1.26 -5.01 105.19 109.90 1k3j n GLY 113 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.31 3.55 -0.12 1.61 -0.21 0.26 -5.06 119.66 119.38 1k3j s GLN 114 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 54.53 1k3j s GLN 114 Cb 0.00 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1k3j s GLN 114 CO 0.00 -0.26 1.30 0.21 -2.12 0.00 0.00 175.29 174.42 1k3j s LYS 115 N 1.61 4.26 0.40 2.91 2.47 -1.26 0.02 119.74 130.14 1k3j s LYS 115 Ca 0.06 1.75 0.02 0.00 -1.56 0.00 0.00 55.97 56.24 1k3j s LYS 115 Cb -0.16 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.48 1k3j s LYS 115 CO 0.04 -0.66 0.59 0.14 0.16 0.00 0.00 175.35 175.63 1k3j s VAL 116 N 3.19 4.19 0.09 4.02 -7.23 -1.09 -4.96 120.40 118.61 1k3j s VAL 116 Ca 0.58 -0.66 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 1k3j s VAL 116 Cb -0.24 -3.51 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 1k3j s VAL 116 CO 0.19 -0.30 1.38 -0.70 -0.31 0.00 0.00 175.10 175.35 1k3j s GLU 117 N -4.40 4.32 0.98 4.82 2.56 -1.26 -4.65 118.70 121.08 1k3j s GLU 117 Ca 0.46 2.02 -0.13 0.00 0.00 0.00 0.00 54.97 57.32 1k3j s GLU 117 Cb -0.10 -3.33 0.09 0.00 2.00 0.00 0.00 34.13 32.79 1k3j s GLU 117 CO 0.35 -0.45 0.56 1.17 -0.56 0.00 0.00 175.26 176.34 1k3j n LYS 118 N 4.25 -0.66 -2.67 4.30 4.81 -1.26 -2.31 118.16 124.62 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 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.29 -0.98 -4.56 3.14 3.02 0.57 -4.85 115.26 109.31 1k3j n ASN 119 Ca 0.07 -0.14 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 1k3j n ASN 119 Cb 0.54 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.94 4.40 -0.06 6.41 0.15 -0.98 -4.90 113.70 116.78 1k3j s SER 120 Ca 0.24 -0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.44 1k3j s SER 120 Cb -0.14 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1k3j s SER 120 CO 0.30 0.26 0.60 0.20 1.20 0.00 0.00 173.24 175.81 1k3j s ASN 121 N -1.53 6.89 0.08 5.45 -0.87 -1.26 -3.90 114.94 119.81 1k3j s ASN 121 Ca 0.17 1.07 0.06 0.00 -1.57 0.00 0.00 52.86 52.59 1k3j s ASN 121 Cb -0.11 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.25 38.73 1k3j s ASN 121 CO 0.08 -0.02 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.33 1k3j s GLN 122 N 0.48 0.91 -0.34 -0.60 -1.52 -1.05 -4.93 119.66 112.61 1k3j s GLN 122 Ca 0.32 -1.03 -0.29 0.00 -1.95 0.00 0.00 55.36 52.42 1k3j s GLN 122 Cb -0.17 -0.96 -0.00 0.00 -0.22 0.00 0.00 33.01 31.65 1k3j s GLN 122 CO 0.15 0.22 1.51 -1.17 -0.25 0.00 0.00 175.29 175.75 1k3j s LEU 123 N -1.83 3.68 0.83 2.90 2.96 -1.26 -1.72 118.68 124.24 1k3j s LEU 123 Ca 0.01 1.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.93 1k3j s LEU 123 Cb -0.10 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.09 1k3j s LEU 123 CO 0.03 -1.39 0.75 -0.11 -1.32 0.00 0.00 176.35 174.31 1k3j n LEU 124 N 8.84 1.86 -4.33 -0.68 0.00 0.78 -4.92 117.00 118.54 1k3j n LEU 124 Ca 0.18 0.50 -0.23 0.00 0.00 0.00 0.00 56.01 56.46 1k3j n LEU 124 Cb 0.47 -1.33 -0.12 0.00 0.00 0.00 0.00 43.42 42.45 1k3j n LEU 124 CO 0.68 -2.74 -0.50 -0.94 0.00 0.00 0.00 177.39 173.88 1k3j s SER 125 N -1.93 2.75 -0.07 1.96 1.04 -1.26 -4.81 113.70 111.38 1k3j s SER 125 Ca 0.66 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 1k3j s SER 125 Cb -0.28 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1k3j s SER 125 CO 0.59 0.02 1.41 -1.58 0.98 0.00 0.00 173.24 174.65 1k3j s GLN 126 N -2.51 4.25 -1.64 4.02 -0.44 -1.26 -2.53 119.66 119.55 1k3j s GLN 126 Ca 0.14 1.91 0.00 0.00 -2.50 0.00 0.00 55.36 54.90 1k3j s GLN 126 Cb -0.07 -3.74 0.00 0.00 -1.64 0.00 0.00 33.01 27.56 1k3j s GLN 126 CO 0.06 -0.68 0.00 0.41 0.50 0.00 0.00 175.29 175.58 1k3j n GLY 127 N 3.74 1.53 3.31 2.59 0.00 -1.14 -4.96 105.19 110.26 1k3j n GLY 127 Ca 0.14 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.86 -2.72 -3.78 1.61 2.03 -1.05 -4.54 116.55 107.25 1k3j n ASP 128 Ca -0.15 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.64 1k3j n ASP 128 Cb 0.56 -1.07 -0.13 0.00 -0.72 0.00 0.00 41.12 39.76 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 -4.26 0.18 -0.17 -0.67 2.12 -1.26 -0.60 118.70 114.04 1k3j s GLU 129 Ca 0.62 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 56.25 1k3j s GLU 129 Cb -0.17 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.18 1k3j s GLU 129 CO 0.60 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.63 1k3j s ILE 130 N 0.59 3.91 -0.08 -3.70 1.01 0.42 -2.58 121.20 120.77 1k3j s ILE 130 Ca -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1k3j s ILE 130 Cb -0.06 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1k3j s ILE 130 CO -0.03 0.47 0.06 -0.89 0.00 0.00 0.00 174.94 174.55 1k3j s THR 131 N 0.55 4.77 0.05 2.92 2.01 0.36 -0.32 115.64 125.98 1k3j s THR 131 Ca -0.02 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1k3j s THR 131 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1k3j s THR 131 CO 0.02 0.56 -0.02 0.68 -0.69 0.00 0.00 174.62 175.17 1k3j s VAL 132 N -1.00 0.20 0.00 3.82 -7.23 0.14 0.14 120.40 116.48 1k3j s VAL 132 Ca 0.16 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 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 0.05 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 1k3j n GLY 133 N 0.34 0.81 3.78 2.32 0.00 -1.26 0.12 105.19 111.31 1k3j n GLY 133 Ca -0.16 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.90 4.41 0.00 1.61 1.01 -1.26 -2.54 120.40 120.73 1k3j s VAL 134 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1k3j s VAL 134 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1k3j s VAL 134 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1k3j n GLY 135 N 1.53 4.09 2.98 4.51 0.00 -1.26 -5.00 105.19 112.04 1k3j n GLY 135 Ca -0.06 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 1.37 0.60 1.61 1.01 -1.26 -5.00 120.40 118.73 1k3j s VAL 136 Ca 0.00 -0.51 0.28 0.00 0.00 0.00 0.00 61.98 61.75 1k3j s VAL 136 Cb 0.00 -1.31 0.37 0.00 0.00 0.00 0.00 36.38 35.44 1k3j s VAL 136 CO 0.00 0.42 1.80 -0.08 0.00 0.00 0.00 175.10 177.24 1k3j h GLU 137 N 8.00 0.00 -0.34 2.72 4.81 -1.98 0.79 114.58 128.58 1k3j h GLU 137 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1k3j h GLU 137 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k3j h GLU 137 CO 0.48 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 179.21 1k3j n SER 138 N -3.52 2.46 -0.74 1.04 2.88 -1.26 -4.18 113.62 110.30 1k3j n SER 138 Ca 0.09 -1.89 0.05 0.00 -1.33 0.00 0.00 58.87 55.79 1k3j n SER 138 Cb 0.76 -0.22 0.10 0.00 -0.75 0.00 0.00 64.21 64.10 1k3j n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k3j n ASP 139 N 0.84 1.31 -4.67 -3.46 9.92 0.27 -5.05 116.55 115.71 1k3j n ASP 139 Ca 0.17 -2.82 -0.35 0.00 -0.53 0.00 0.00 54.79 51.26 1k3j n ASP 139 Cb 0.43 -0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.60 4.32 -0.05 0.53 1.01 -1.05 -4.16 121.20 120.19 1k3j s ILE 140 Ca 0.28 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.74 1k3j s ILE 140 Cb 0.29 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 1k3j s ILE 140 CO -0.07 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.06 1k3j s LEU 141 N -0.77 1.93 -0.12 2.97 2.96 0.33 -4.95 118.68 121.04 1k3j s LEU 141 Ca 0.12 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1k3j s LEU 141 Cb -0.12 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1k3j s LEU 141 CO 0.02 0.16 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.72 1k3j s SER 142 N 0.07 4.74 -0.04 3.68 0.01 -1.26 0.24 113.70 121.14 1k3j s SER 142 Ca -0.06 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1k3j s SER 142 Cb -0.13 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1k3j s SER 142 CO 0.03 0.24 -0.14 -0.76 0.41 0.00 0.00 173.24 173.02 1k3j s LEU 143 N -0.07 1.83 -0.10 2.44 2.01 0.56 -3.74 118.68 121.61 1k3j s LEU 143 Ca 0.01 -0.30 -0.00 0.00 0.01 0.00 0.00 54.13 53.85 1k3j s LEU 143 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 46.19 45.22 1k3j s LEU 143 CO 0.03 0.11 -0.08 -0.69 1.01 0.00 0.00 176.35 176.73 1k3j s VAL 144 N 0.20 3.59 -0.13 -1.59 1.01 0.27 0.16 120.40 123.90 1k3j s VAL 144 Ca -0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1k3j s VAL 144 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1k3j s VAL 144 CO 0.02 0.56 0.01 -0.63 0.00 0.00 0.00 175.10 175.06 1k3j s ILE 145 N -0.29 4.38 -0.20 2.22 -1.09 0.23 0.12 121.20 126.57 1k3j s ILE 145 Ca 0.04 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1k3j s ILE 145 Cb -0.13 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1k3j s ILE 145 CO 0.02 0.54 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.81 1k3j s PHE 146 N -0.24 2.89 0.03 3.97 0.40 0.29 -2.87 117.98 122.45 1k3j s PHE 146 Ca 0.06 -1.26 -0.25 0.00 -0.60 0.00 0.00 56.93 54.88 1k3j s PHE 146 Cb -0.12 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1k3j s PHE 146 CO 0.02 -0.66 0.76 0.42 0.70 0.00 0.00 175.22 176.46 1k3j s ILE 147 N 1.39 4.77 -0.27 0.64 1.01 -1.26 0.11 121.20 127.60 1k3j s ILE 147 Ca 0.05 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 1k3j s ILE 147 Cb -0.14 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1k3j s ILE 147 CO -0.07 0.35 1.28 0.21 0.00 0.00 0.00 174.94 176.70 1k3j s ASN 148 N 0.05 6.76 0.47 3.58 2.47 -1.17 -4.89 114.94 122.20 1k3j s ASN 148 Ca 0.39 1.33 0.14 0.00 0.42 0.00 0.00 52.86 55.14 1k3j s ASN 148 Cb -0.20 -2.54 1.11 0.00 -1.45 0.00 0.00 41.25 38.17 1k3j s ASN 148 CO 0.23 -0.99 2.06 0.44 -3.72 0.00 0.00 177.10 175.11 1k3j h ASP 149 N 8.95 0.23 -0.40 -4.21 3.32 -1.95 -1.91 116.42 120.46 1k3j h ASP 149 Ca -0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1k3j h ASP 149 Cb 1.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1k3j h ASP 149 CO 1.02 0.15 0.26 0.11 -1.72 0.00 0.00 179.24 179.06 1k3j h LYS 150 N 0.26 0.52 -0.60 3.56 1.79 -1.94 -0.33 116.57 119.83 1k3j h LYS 150 Ca 0.15 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1k3j h LYS 150 Cb 0.28 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1k3j h LYS 150 CO -0.03 0.34 0.38 0.35 -1.08 0.00 0.00 179.45 179.42 1k3j h PHE 151 N 0.54 0.72 -0.66 -1.35 3.04 -1.59 -2.12 116.94 115.51 1k3j h PHE 151 Ca 0.14 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1k3j h PHE 151 Cb -0.06 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.18 1k3j h PHE 151 CO -0.05 0.43 0.10 0.87 -2.02 0.00 0.00 178.31 177.64 1k3j h LYS 152 N 0.76 1.10 -0.55 1.11 1.57 -1.30 -2.22 116.57 117.04 1k3j h LYS 152 Ca 0.24 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1k3j h LYS 152 Cb -0.02 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1k3j h LYS 152 CO -0.08 1.00 0.33 0.37 -0.57 0.00 0.00 179.45 180.51 1k3j h GLN 153 N 1.03 0.65 -0.39 3.15 4.15 -0.58 0.15 115.11 123.26 1k3j h GLN 153 Ca 0.20 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1k3j h GLN 153 Cb 0.44 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1k3j h GLN 153 CO 0.01 0.43 0.05 0.00 -1.93 0.00 0.00 178.83 177.39 1k3j h LEU 155 N 0.49 0.70 -1.14 0.00 7.12 -1.07 0.86 115.31 122.27 1k3j h LEU 155 Ca 0.12 -0.16 -0.07 0.00 0.13 0.00 0.00 57.88 57.90 1k3j h LEU 155 Cb 0.40 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1k3j h LEU 155 CO 0.01 0.77 -0.12 -0.08 -0.13 0.00 0.00 178.44 178.89 1k3j h GLU 156 N 0.69 0.46 0.08 1.25 4.81 -0.52 -3.10 114.58 118.25 1k3j h GLU 156 Ca 0.14 -0.13 -0.34 0.00 -0.13 0.00 0.00 59.36 58.91 1k3j h GLU 156 Cb 0.42 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1k3j h GLU 156 CO 0.02 0.58 -1.86 1.96 -0.73 0.00 0.00 179.01 178.98 1k3j h GLN 157 N 0.42 0.18 -6.18 1.92 4.20 -1.00 -3.50 115.11 111.16 1k3j h GLN 157 Ca 0.08 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1k3j h GLN 157 Cb 0.47 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1k3j h GLN 157 CO 0.03 0.97 -0.87 0.27 -0.67 0.00 0.00 178.83 178.56 1k3j n ASN 158 N -3.34 -6.75 -4.65 1.46 0.23 0.29 -4.82 115.26 97.69 1k3j n ASN 158 Ca -0.25 0.62 -0.43 0.00 -0.53 0.00 0.00 54.58 53.99 1k3j n ASN 158 Cb 1.05 -2.06 -0.02 0.00 -2.08 0.00 0.00 39.78 36.67 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 -0.92 4.16 -0.10 -3.83 2.20 -1.26 -4.99 119.74 114.99 1k3j s LYS 159 Ca -0.01 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 56.90 1k3j s LYS 159 Cb 0.00 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1k3j s LYS 159 CO 0.10 -0.81 0.94 0.14 -0.36 0.00 0.00 175.35 175.36 1k3j s VAL 160 N 3.73 4.84 0.27 4.02 -7.23 -1.26 -4.94 120.40 119.83 1k3j s VAL 160 Ca 0.56 1.90 0.01 0.00 -1.81 0.00 0.00 61.98 62.64 1k3j s VAL 160 Cb -0.21 -4.25 0.08 0.00 0.56 0.00 0.00 36.38 32.56 1k3j s VAL 160 CO 0.17 0.05 1.73 0.44 -0.31 0.00 0.00 175.10 177.17 1k3j h ASP 161 N 7.08 0.58 -2.97 4.85 3.32 -2.02 -3.43 116.42 123.83 1k3j h ASP 161 Ca -0.33 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 56.02 1k3j h ASP 161 Cb 1.16 -0.16 0.06 0.00 0.22 0.00 0.00 39.33 40.61 1k3j h ASP 161 CO 0.83 0.77 0.92 -0.13 -1.72 0.00 0.00 179.24 179.91 1k3j s ARG 162 N -4.64 4.16 -0.34 3.56 3.00 -1.26 -4.97 118.95 118.47 1k3j s ARG 162 Ca -0.08 2.50 -0.16 0.00 0.00 0.00 0.00 55.73 58.00 1k3j s ARG 162 Cb 0.14 -3.08 -0.01 0.00 0.00 0.00 0.00 34.95 31.99 1k3j s ARG 162 CO 0.80 -0.64 0.39 0.96 0.00 0.00 0.00 175.30 176.81 1k3j s ILE 163 N 0.71 5.14 0.00 1.52 -4.36 -1.26 -5.22 121.20 117.72 1k3j s ILE 163 Ca 0.69 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 61.22 1k3j s ILE 163 Cb -0.47 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.40 1k3j s ILE 163 CO 0.37 -0.10 0.00 -1.14 0.24 0.00 0.00 174.94 174.32