#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 -0.02 0.00 -2.24 -1.26 -4.75 114.28 106.01 1k3j n THR 15 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1k3j n THR 15 Cb 0.00 -0.51 0.12 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.58 -0.60 -0.78 4.15 -2.06 -2.91 115.11 113.50 1k3j h GLN 16 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1k3j h GLN 16 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1k3j h GLN 16 CO 0.00 0.84 0.39 -0.09 -1.93 0.00 0.00 178.83 178.04 1k3j h ARG 17 N 0.49 0.79 -0.26 1.69 9.65 -2.01 -1.75 114.38 122.99 1k3j h ARG 17 Ca 0.05 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1k3j h ARG 17 Cb 0.82 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1k3j h ARG 17 CO 0.07 0.53 -0.28 0.35 2.80 0.00 0.00 179.97 183.44 1k3j h PHE 18 N 0.81 0.58 -0.45 2.20 3.57 -1.81 -2.50 116.94 119.34 1k3j h PHE 18 Ca 0.22 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1k3j h PHE 18 Cb -0.08 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1k3j h PHE 18 CO 0.00 0.74 0.15 -0.07 -2.23 0.00 0.00 178.31 176.90 1k3j h LEU 19 N 0.45 0.65 -1.02 0.59 4.07 -1.26 -2.78 115.31 116.01 1k3j h LEU 19 Ca 0.06 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 1k3j h LEU 19 Cb 0.72 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1k3j h LEU 19 CO 0.06 0.68 -0.11 0.40 -1.08 0.00 0.00 178.44 178.38 1k3j h ILE 20 N 0.59 1.24 -0.91 1.22 1.08 -1.36 -2.75 117.51 116.63 1k3j h ILE 20 Ca 0.15 -1.05 0.06 0.00 -0.39 0.00 0.00 64.86 63.63 1k3j h ILE 20 Cb 0.26 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1k3j h ILE 20 CO -0.01 0.35 0.57 -0.08 -0.69 0.00 0.00 178.15 178.30 1k3j h GLU 21 N 0.53 1.01 0.00 2.37 4.22 -1.18 0.10 114.58 121.64 1k3j h GLU 21 Ca 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1k3j h GLU 21 Cb 0.51 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1k3j h GLU 21 CO 0.03 0.67 -0.14 0.87 -2.18 0.00 0.00 179.01 178.26 1k3j h LYS 22 N 1.04 0.00 -0.38 1.92 1.57 -1.33 -2.55 116.57 116.85 1k3j h LYS 22 Ca 0.40 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 1k3j h LYS 22 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1k3j h LYS 22 CO -0.17 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.32 1k3j h PHE 23 N 0.00 0.22 0.00 -1.35 3.04 -0.68 -2.54 116.94 115.63 1k3j h PHE 23 Ca -0.00 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.75 1k3j h PHE 23 Cb 0.47 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1k3j h PHE 23 CO 0.00 0.09 -1.07 0.66 -2.02 0.00 0.00 178.31 175.96 1k3j h SER 24 N 0.28 0.00 0.00 0.41 4.64 -1.53 -3.47 113.55 113.88 1k3j h SER 24 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1k3j h SER 24 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1k3j h SER 24 CO -0.18 1.00 0.00 1.67 -0.87 0.00 0.00 176.83 178.44 1k3j n GLN 25 N -3.32 0.00 -3.64 4.77 7.27 -0.96 -4.66 117.38 116.85 1k3j n GLN 25 Ca -0.02 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.68 1k3j n GLN 25 Cb 0.95 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.49 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1k3j s GLU 26 N 0.00 3.92 -0.47 3.69 0.41 -1.26 -4.95 118.70 120.04 1k3j s GLU 26 Ca 0.00 -0.34 -0.11 0.00 -0.41 0.00 0.00 54.97 54.11 1k3j s GLU 26 Cb 0.00 -3.58 0.11 0.00 -1.78 0.00 0.00 34.13 28.88 1k3j s GLU 26 CO 0.00 -0.14 0.36 -1.14 -0.49 0.00 0.00 175.26 173.85 1k3j s GLN 27 N 1.61 2.65 0.03 1.61 0.74 -1.26 -5.07 119.66 119.97 1k3j s GLN 27 Ca 0.07 -1.63 -0.18 0.00 0.05 0.00 0.00 55.36 53.66 1k3j s GLN 27 Cb -0.15 -3.98 -0.06 0.00 1.10 0.00 0.00 33.01 29.92 1k3j s GLN 27 CO 0.09 -1.14 0.53 0.42 -0.55 0.00 0.00 175.29 174.64 1k3j s ILE 28 N 1.45 4.86 0.00 -2.34 -1.09 -1.26 -4.58 121.20 118.24 1k3j s ILE 28 Ca 0.04 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1k3j s ILE 28 Cb -0.26 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1k3j s ILE 28 CO 0.01 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1k3j n GLY 29 N 1.97 1.31 0.16 6.18 0.00 -1.26 -5.05 105.19 108.50 1k3j n GLY 29 Ca -0.10 0.00 -0.14 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 0.48 0.00 1.61 5.08 -2.02 -3.42 114.58 116.31 1k3j h GLU 30 Ca 0.00 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1k3j h GLU 30 Cb 0.00 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1k3j h GLU 30 CO 0.00 0.88 -0.14 0.27 -1.00 0.00 0.00 179.01 179.02 1k3j n ASN 31 N -4.41 -0.64 -4.53 1.42 6.94 -1.26 -5.04 115.26 107.74 1k3j n ASN 31 Ca -0.06 -1.37 -0.42 0.00 -0.02 0.00 0.00 54.58 52.71 1k3j n ASN 31 Cb 0.45 0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 38.11 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 0.04 3.98 0.11 1.53 -1.09 -1.26 -0.85 121.20 123.66 1k3j s ILE 32 Ca 0.03 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 1k3j s ILE 32 Cb 0.14 -4.94 -0.10 0.00 -1.58 0.00 0.00 42.46 35.97 1k3j s ILE 32 CO -0.04 -1.82 1.48 0.58 -1.23 0.00 0.00 174.94 173.92 1k3j h VAL 33 N 6.35 0.00 -4.08 2.92 2.07 -1.72 -3.35 116.25 118.43 1k3j h VAL 33 Ca -0.02 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1k3j h VAL 33 Cb 1.03 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 1k3j h VAL 33 CO 1.32 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 178.47 1k3j s ARG 35 N -3.99 1.28 -0.25 0.00 3.52 0.32 -1.68 118.95 118.15 1k3j s ARG 35 Ca 0.19 -0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 1k3j s ARG 35 Cb 0.05 -1.20 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 1k3j s ARG 35 CO 0.00 0.26 0.14 0.14 -0.81 0.00 0.00 175.30 175.03 1k3j s VAL 36 N -0.16 5.05 -0.13 7.11 -7.23 -1.11 0.13 120.40 124.07 1k3j s VAL 36 Ca 0.02 0.08 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1k3j s VAL 36 Cb -0.08 -3.37 0.03 0.00 0.56 0.00 0.00 36.38 33.53 1k3j s VAL 36 CO 0.00 0.33 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.41 1k3j s ILE 37 N 1.33 1.09 -0.17 -0.62 1.01 0.23 -2.41 121.20 121.66 1k3j s ILE 37 Ca 0.06 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1k3j s ILE 37 Cb -0.15 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 1k3j s ILE 37 CO 0.06 0.31 1.03 0.00 0.00 0.00 0.00 174.94 176.33 1k3j n THR 39 N 4.96 0.52 1.77 0.00 -2.24 -1.24 -4.06 114.28 113.99 1k3j n THR 39 Ca 0.10 -0.58 0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1k3j n THR 39 Cb 0.47 -0.27 0.87 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.54 0.00 -2.56 4.28 -2.24 -1.26 -4.95 114.28 105.03 1k3j n THR 40 Ca -0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1k3j n THR 40 Cb 0.67 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.04 0.00 3.38 0.00 -1.26 -4.99 105.19 102.37 1k3j n GLY 41 Ca 0.20 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.09 0.00 -4.85 1.61 6.02 -1.26 -5.12 117.38 112.70 1k3j n GLN 42 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.76 1k3j n GLN 42 Cb 0.43 -0.35 -0.15 0.00 1.02 0.00 0.00 30.24 31.19 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 -1.00 1.55 0.43 5.09 1.01 -1.26 -4.89 121.20 122.13 1k3j s ILE 43 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 1k3j s ILE 43 Cb 0.00 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1k3j s ILE 43 CO 0.00 0.36 1.12 -2.16 0.00 0.00 0.00 174.94 174.26 1k3j s PRO 44 N -0.67 3.97 0.34 2.79 0.04 -1.26 -4.21 135.00 135.99 1k3j s PRO 44 Ca 0.07 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1k3j s PRO 44 Cb -0.08 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.86 1k3j s PRO 44 CO -0.00 -0.35 1.46 0.42 0.04 0.00 0.00 177.00 178.58 1k3j s ILE 45 N -1.58 2.26 0.23 0.56 1.01 -1.26 -4.83 121.20 117.58 1k3j s ILE 45 Ca 0.60 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.56 1k3j s ILE 45 Cb -0.26 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1k3j s ILE 45 CO 0.32 0.05 -0.07 -0.60 0.00 0.00 0.00 174.94 174.65 1k3j s ARG 46 N -1.55 1.35 -0.20 2.79 3.52 -1.01 -5.05 118.95 118.80 1k3j s ARG 46 Ca 0.55 -1.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.48 1k3j s ARG 46 Cb -0.45 -0.88 0.01 0.00 -1.56 0.00 0.00 34.95 32.06 1k3j s ARG 46 CO 0.56 0.03 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.46 1k3j s ASP 47 N -3.33 3.79 -0.14 -2.12 1.11 -1.26 -2.75 116.67 111.97 1k3j s ASP 47 Ca 0.25 -0.54 -0.13 0.00 0.18 0.00 0.00 52.55 52.32 1k3j s ASP 47 Cb 0.03 -1.62 -0.05 0.00 1.07 0.00 0.00 42.92 42.36 1k3j s ASP 47 CO 0.08 -0.02 0.27 -0.76 1.18 0.00 0.00 175.17 175.92 1k3j s LEU 48 N 1.39 4.29 0.05 1.23 1.43 -0.68 -5.02 118.68 121.36 1k3j s LEU 48 Ca 0.05 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.62 1k3j s LEU 48 Cb -0.14 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1k3j s LEU 48 CO -0.08 0.17 0.11 -0.94 0.23 0.00 0.00 176.35 175.85 1k3j s SER 49 N 0.09 0.20 -0.07 2.29 1.04 -1.26 -2.33 113.70 113.66 1k3j s SER 49 Ca 0.16 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 1k3j s SER 49 Cb -0.13 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1k3j s SER 49 CO 0.04 -0.58 0.23 0.00 0.98 0.00 0.00 173.24 173.91 1k3j s ALA 50 N -3.14 -0.57 0.09 5.32 0.00 -0.03 -4.79 121.76 118.65 1k3j s ALA 50 Ca -0.00 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 1k3j s ALA 50 Cb 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1k3j s ALA 50 CO -0.07 -0.13 0.90 -0.51 0.00 0.00 0.00 175.76 175.95 1k3j s ASP 51 N -0.17 7.41 0.16 0.00 1.01 -1.26 -4.64 116.67 119.18 1k3j s ASP 51 Ca -0.03 1.69 -0.12 0.00 0.71 0.00 0.00 52.55 54.80 1k3j s ASP 51 Cb -0.03 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.40 1k3j s ASP 51 CO 0.01 -0.04 1.68 0.40 0.21 0.00 0.00 175.17 177.42 1k3j h ILE 52 N 4.07 1.24 -0.84 0.77 2.04 -1.98 -2.37 117.51 120.45 1k3j h ILE 52 Ca -0.43 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 64.66 1k3j h ILE 52 Cb 1.21 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1k3j h ILE 52 CO 0.72 0.31 0.51 0.77 0.00 0.00 0.00 178.15 180.45 1k3j h SER 53 N 0.76 0.79 -0.26 1.72 4.64 -1.98 0.20 113.55 119.42 1k3j h SER 53 Ca 0.17 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 1k3j h SER 53 Cb 0.31 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1k3j h SER 53 CO -0.00 0.50 -0.29 1.56 -0.87 0.00 0.00 176.83 177.73 1k3j h GLN 54 N 0.93 0.77 -0.00 4.77 4.20 -1.94 -0.23 115.11 123.60 1k3j h GLN 54 Ca 0.37 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1k3j h GLN 54 Cb 0.19 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1k3j h GLN 54 CO -0.18 0.97 -0.00 0.28 -0.67 0.00 0.00 178.83 179.22 1k3j h VAL 55 N 0.65 1.35 -0.06 -0.54 2.07 -0.78 -2.14 116.25 116.81 1k3j h VAL 55 Ca 0.08 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1k3j h VAL 55 Cb 0.82 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1k3j h VAL 55 CO 0.07 0.27 -0.30 0.17 0.02 0.00 0.00 177.57 177.80 1k3j h LEU 56 N -0.43 0.11 -0.15 2.57 8.10 -0.67 -3.02 115.31 121.82 1k3j h LEU 56 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 1k3j h LEU 56 Cb 0.44 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1k3j h LEU 56 CO 0.00 0.41 -0.02 0.11 -4.11 0.00 0.00 178.44 174.83 1k3j h LYS 57 N 0.10 0.27 -6.55 0.17 1.57 -0.98 -3.43 116.57 107.73 1k3j h LYS 57 Ca 0.01 -0.10 -0.52 0.00 -1.87 0.00 0.00 60.65 58.18 1k3j h LYS 57 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1k3j h LYS 57 CO 0.04 0.53 0.35 -1.21 -0.57 0.00 0.00 179.45 178.59 1k3j s GLU 58 N -4.86 4.68 0.00 3.15 2.02 -0.81 -4.93 118.70 117.95 1k3j s GLU 58 Ca -0.14 1.42 0.17 0.00 0.02 0.00 0.00 54.97 56.44 1k3j s GLU 58 Cb 0.06 -3.38 0.27 0.00 0.10 0.00 0.00 34.13 31.18 1k3j s GLU 58 CO 0.72 0.22 1.11 0.36 0.02 0.00 0.00 175.26 177.68 1k3j n LYS 59 N 2.79 0.00 0.04 1.61 0.00 -1.26 -4.86 118.16 116.48 1k3j n LYS 59 Ca 0.02 -1.63 0.00 0.00 -0.00 0.00 0.00 58.31 56.70 1k3j n LYS 59 Cb 0.49 0.17 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 1k3j n LYS 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1k3j n ARG 60 N 0.32 0.00 -3.98 -1.58 0.63 -1.26 -5.12 116.66 105.67 1k3j n ARG 60 Ca -0.06 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 1k3j n ARG 60 Cb 0.99 -0.37 -0.04 0.00 0.45 0.00 0.00 32.46 33.49 1k3j n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1k3j n SER 61 N -3.24 2.94 -4.71 6.15 3.41 -1.26 -5.11 113.62 111.80 1k3j n SER 61 Ca 0.00 -2.78 -0.35 0.00 -0.26 0.00 0.00 58.87 55.48 1k3j n SER 61 Cb 0.15 0.18 0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1k3j n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k3j n ILE 62 N -1.26 3.64 0.00 -1.33 0.13 -1.26 -4.95 119.36 114.32 1k3j n ILE 62 Ca -0.12 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.16 1k3j n ILE 62 Cb 0.54 -1.35 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 1k3j n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1k3j n LYS 63 N -2.49 0.00 -3.81 9.51 4.01 -1.19 -5.03 118.16 119.16 1k3j n LYS 63 Ca 0.15 0.15 -0.13 0.00 -0.51 0.00 0.00 58.31 57.97 1k3j n LYS 63 Cb 0.49 -0.56 -0.14 0.00 -0.51 0.00 0.00 35.03 34.31 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 -0.58 0.04 -0.01 1.97 2.20 -1.17 -5.03 119.74 117.15 1k3j s LYS 64 Ca 0.00 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1k3j s LYS 64 Cb 0.00 -0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1k3j s LYS 64 CO 0.00 -0.08 -0.08 0.08 -0.36 0.00 0.00 175.35 174.92 1k3j s VAL 65 N 0.50 0.62 -0.12 4.02 1.01 -1.26 -0.85 120.40 124.33 1k3j s VAL 65 Ca -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1k3j s VAL 65 Cb -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1k3j s VAL 65 CO -0.02 0.18 0.10 0.26 0.00 0.00 0.00 175.10 175.62 1k3j s TRP 66 N -0.09 3.45 -0.15 5.22 0.51 0.49 -4.90 118.94 123.47 1k3j s TRP 66 Ca 0.02 0.41 -0.02 0.00 -2.12 0.00 0.00 56.10 54.38 1k3j s TRP 66 Cb -0.04 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1k3j s TRP 66 CO -0.00 0.62 -0.08 0.99 -0.51 0.00 0.00 176.95 177.96 1k3j s THR 67 N -0.86 3.43 0.06 2.01 2.01 -1.26 0.11 115.64 121.13 1k3j s THR 67 Ca 0.14 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.71 1k3j s THR 67 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1k3j s THR 67 CO 0.03 0.50 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.84 1k3j s PHE 68 N 0.53 2.27 -5.00 4.92 0.08 0.51 0.18 117.98 121.47 1k3j s PHE 68 Ca -0.06 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1k3j s PHE 68 Cb -0.15 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1k3j s PHE 68 CO 0.03 0.17 0.00 0.41 -0.10 0.00 0.00 175.22 175.73 1k3j n GLY 69 N 1.60 -1.02 0.19 4.36 0.00 -0.66 0.11 105.19 109.77 1k3j n GLY 69 Ca -0.17 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 1.24 -3.02 1.61 1.74 0.37 -1.79 116.66 116.82 1k3j n ARG 70 Ca 0.00 -0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 56.31 1k3j n ARG 70 Cb 0.00 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.34 7.35 0.22 0.55 3.04 0.99 -4.81 114.94 120.94 1k3j s ASN 71 Ca 0.20 1.60 0.24 0.00 0.04 0.00 0.00 52.86 54.95 1k3j s ASN 71 Cb 0.10 -2.48 0.92 0.00 -1.54 0.00 0.00 41.25 38.25 1k3j s ASN 71 CO 0.16 0.22 1.73 -0.81 -3.04 0.00 0.00 177.10 175.35 1k3j n PRO 72 N 1.60 0.20 0.05 0.43 -0.04 -1.26 -2.61 135.00 133.36 1k3j n PRO 72 Ca -0.06 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 1k3j n PRO 72 Cb 0.49 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1k3j n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k3j h ALA 73 N 2.39 0.03 -1.17 0.55 0.00 -1.95 -3.47 119.26 115.65 1k3j h ALA 73 Ca 0.00 -0.93 -0.69 0.00 0.00 0.00 0.00 54.91 53.29 1k3j h ALA 73 Cb 0.49 0.31 0.09 0.00 0.00 0.00 0.00 17.79 18.68 1k3j h ALA 73 CO 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.67 1k3j h ASP 75 N 1.77 0.00 -3.19 0.00 5.19 0.16 -3.37 116.42 116.98 1k3j h ASP 75 Ca -0.36 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.54 1k3j h ASP 75 Cb 1.42 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.56 1k3j h ASP 75 CO 0.60 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.46 1k3j s TYR 76 N -4.03 1.39 -0.30 4.55 5.04 -0.71 -4.97 117.35 118.33 1k3j s TYR 76 Ca -0.04 -0.67 -0.13 0.00 -2.44 0.00 0.00 57.07 53.79 1k3j s TYR 76 Cb 0.10 -1.18 -0.04 0.00 0.35 0.00 0.00 41.96 41.20 1k3j s TYR 76 CO 0.32 -0.49 0.28 -1.58 -1.34 0.00 0.00 175.55 172.74 1k3j s HIS 77 N 1.72 3.23 -0.61 4.97 2.46 -1.26 -1.65 115.29 124.16 1k3j s HIS 77 Ca 0.05 0.14 0.06 0.00 0.47 0.00 0.00 55.06 55.77 1k3j s HIS 77 Cb -0.13 -2.50 0.22 0.00 -0.13 0.00 0.00 32.58 30.05 1k3j s HIS 77 CO -0.08 -0.25 0.63 1.47 -2.47 0.00 0.00 174.74 174.03 1k3j n LEU 78 N 5.20 2.80 0.00 8.88 -0.00 -0.74 -4.86 117.00 128.29 1k3j n LEU 78 Ca -0.11 -5.21 0.00 0.00 -0.00 0.00 0.00 56.01 50.68 1k3j n LEU 78 Cb 0.51 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1k3j n LEU 78 CO 0.36 1.97 0.00 0.61 -0.00 0.00 0.00 177.39 180.33 1k3j n GLY 79 N 1.34 2.95 2.92 1.47 0.00 -1.26 -4.40 105.19 108.21 1k3j n GLY 79 Ca 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1k3j n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j s ASN 80 N -4.00 -1.25 -0.05 1.61 4.22 -1.26 -4.57 114.94 109.64 1k3j s ASN 80 Ca 0.00 -1.07 -0.09 0.00 -2.14 0.00 0.00 52.86 49.55 1k3j s ASN 80 Cb 0.00 1.61 -0.05 0.00 1.28 0.00 0.00 41.25 44.10 1k3j s ASN 80 CO 0.00 -0.09 0.25 -0.63 -2.04 0.00 0.00 177.10 174.59 1k3j s ILE 81 N 1.36 5.32 0.28 0.54 1.09 -1.26 -5.00 121.20 123.53 1k3j s ILE 81 Ca 0.23 0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 60.16 1k3j s ILE 81 Cb 0.00 -3.53 0.16 0.00 -1.06 0.00 0.00 42.46 38.03 1k3j s ILE 81 CO -0.07 0.55 1.83 -1.28 -0.10 0.00 0.00 174.94 175.87 1k3j h SER 82 N 4.67 0.75 0.90 3.58 0.87 -2.00 -2.03 113.55 120.29 1k3j h SER 82 Ca -0.53 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 59.89 1k3j h SER 82 Cb 1.22 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1k3j h SER 82 CO 0.61 0.74 -0.05 -0.09 -0.53 0.00 0.00 176.83 177.51 1k3j h ARG 83 N 0.78 0.00 -6.17 2.24 9.65 -1.94 -3.43 114.38 115.50 1k3j h ARG 83 Ca 0.17 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.41 1k3j h ARG 83 Cb 0.29 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.77 1k3j h ARG 83 CO -0.00 0.05 -0.61 -0.51 2.80 0.00 0.00 179.97 181.70 1k3j s LEU 84 N -6.36 3.75 0.43 3.80 1.43 -0.76 -4.32 118.68 116.65 1k3j s LEU 84 Ca 0.00 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1k3j s LEU 84 Cb 0.10 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1k3j s LEU 84 CO 0.56 0.20 0.62 -0.94 0.23 0.00 0.00 176.35 177.01 1k3j s SER 85 N -2.22 5.79 0.21 2.29 1.04 -1.26 -4.60 113.70 114.95 1k3j s SER 85 Ca 0.27 0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 1k3j s SER 85 Cb -0.12 -1.32 0.18 0.00 0.10 0.00 0.00 66.02 64.86 1k3j s SER 85 CO 0.19 -0.68 1.58 0.78 0.98 0.00 0.00 173.24 176.09 1k3j h ASN 86 N 0.51 -1.20 -3.16 7.02 2.35 -1.92 -2.58 115.58 116.61 1k3j h ASN 86 Ca -0.45 0.25 -0.63 0.00 -0.55 0.00 0.00 56.30 54.92 1k3j h ASN 86 Cb 1.26 0.62 -0.41 0.00 0.05 0.00 0.00 38.32 39.84 1k3j h ASN 86 CO 0.55 -0.30 -0.50 -0.54 -1.65 0.00 0.00 177.43 174.99 1k3j s LYS 87 N -6.01 2.59 0.15 0.81 1.02 -1.26 0.14 119.74 117.18 1k3j s LYS 87 Ca -0.14 -3.34 -0.16 0.00 0.02 0.00 0.00 55.97 52.35 1k3j s LYS 87 Cb 0.18 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1k3j s LYS 87 CO 0.70 -1.28 1.78 1.25 -0.92 0.00 0.00 175.35 176.88 1k3j h HIS 88 N 5.50 0.51 -3.63 3.18 2.76 0.12 -3.34 115.15 120.25 1k3j h HIS 88 Ca 0.14 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 1k3j h HIS 88 Cb 0.76 -0.17 -0.18 0.00 1.55 0.00 0.00 27.41 29.37 1k3j h HIS 88 CO 0.69 0.36 -0.47 -0.59 -1.30 0.00 0.00 177.93 176.62 1k3j s PHE 89 N -6.01 0.10 -0.00 5.26 -0.71 -0.25 0.14 117.98 116.51 1k3j s PHE 89 Ca -0.13 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.46 1k3j s PHE 89 Cb 0.10 -0.08 -0.00 0.00 -1.21 0.00 0.00 43.02 41.83 1k3j s PHE 89 CO 0.73 -0.36 -0.06 -1.14 -1.34 0.00 0.00 175.22 173.05 1k3j s GLN 90 N -2.22 0.48 -0.11 1.99 0.74 0.29 0.19 119.66 121.01 1k3j s GLN 90 Ca -0.08 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1k3j s GLN 90 Cb -0.03 -0.46 -0.02 0.00 1.10 0.00 0.00 33.01 33.60 1k3j s GLN 90 CO -0.02 0.12 -0.13 0.42 -0.55 0.00 0.00 175.29 175.13 1k3j s ILE 91 N -0.13 3.08 0.03 -2.34 1.01 0.30 0.16 121.20 123.31 1k3j s ILE 91 Ca 0.02 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1k3j s ILE 91 Cb -0.02 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1k3j s ILE 91 CO -0.00 0.54 -0.23 -1.48 0.00 0.00 0.00 174.94 173.77 1k3j s LEU 92 N 0.12 2.35 -0.11 2.97 2.34 -0.48 0.19 118.68 126.06 1k3j s LEU 92 Ca -0.06 -0.50 0.02 0.00 0.06 0.00 0.00 54.13 53.65 1k3j s LEU 92 Cb -0.15 -1.39 0.01 0.00 -0.56 0.00 0.00 46.19 44.11 1k3j s LEU 92 CO 0.05 0.27 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.23 1k3j s LEU 93 N -1.23 1.73 0.00 1.48 2.96 -0.03 -1.16 118.68 122.44 1k3j s LEU 93 Ca 0.13 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1k3j s LEU 93 Cb -0.10 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.50 1k3j s LEU 93 CO 0.03 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 1k3j n GLY 94 N 4.17 2.22 6.40 7.98 0.00 -1.26 -3.07 105.19 121.63 1k3j n GLY 94 Ca -0.19 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1k3j n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k3j n GLU 95 N 0.00 -0.31 -1.31 1.61 4.07 -1.26 -3.61 120.64 119.82 1k3j n GLU 95 Ca 0.00 0.20 -0.38 0.00 -0.06 0.00 0.00 57.16 56.93 1k3j n GLU 95 Cb 0.00 -0.38 -0.02 0.00 -0.06 0.00 0.00 31.44 30.98 1k3j n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1k3j n ASP 96 N -3.17 7.38 0.00 4.31 -0.08 -1.26 -4.87 116.55 118.86 1k3j n ASP 96 Ca 0.00 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1k3j n ASP 96 Cb 0.07 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.01 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 3.71 -1.80 1.45 0.27 0.00 -1.24 -5.11 105.19 102.48 1k3j n GLY 97 Ca 0.70 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 0.08 -7.84 -4.65 1.61 5.03 -1.26 -4.62 115.26 103.60 1k3j n ASN 98 Ca 0.00 1.67 -0.23 0.00 0.87 0.00 0.00 54.58 56.89 1k3j n ASN 98 Cb 0.00 -4.74 -0.07 0.00 -1.02 0.00 0.00 39.78 33.95 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1k3j s LEU 99 N -5.76 3.21 0.03 3.41 1.43 -1.26 -4.28 118.68 115.46 1k3j s LEU 99 Ca 0.00 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1k3j s LEU 99 Cb 0.00 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1k3j s LEU 99 CO 0.00 -0.00 -0.13 -0.76 0.23 0.00 0.00 176.35 175.69 1k3j s LEU 100 N -3.68 2.14 -0.19 1.79 1.02 -0.31 -2.26 118.68 117.19 1k3j s LEU 100 Ca 0.31 -0.39 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 1k3j s LEU 100 Cb -0.06 -0.55 -0.01 0.00 0.02 0.00 0.00 46.19 45.59 1k3j s LEU 100 CO 0.20 0.04 -0.07 -0.22 0.02 0.00 0.00 176.35 176.32 1k3j s LEU 101 N -0.93 2.84 -0.25 1.79 0.20 -0.22 -1.38 118.68 120.73 1k3j s LEU 101 Ca 0.01 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.44 1k3j s LEU 101 Cb -0.07 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1k3j s LEU 101 CO 0.01 0.05 -0.04 0.21 -0.29 0.00 0.00 176.35 176.28 1k3j s ASN 102 N 1.07 4.38 -0.26 3.68 2.47 0.43 -2.56 114.94 124.15 1k3j s ASN 102 Ca 0.00 -0.78 -0.28 0.00 0.42 0.00 0.00 52.86 52.22 1k3j s ASN 102 Cb -0.15 -1.70 0.01 0.00 -1.45 0.00 0.00 41.25 37.97 1k3j s ASN 102 CO -0.01 -0.12 1.01 1.51 -3.72 0.00 0.00 177.10 175.77 1k3j s ASP 103 N 1.37 6.99 -0.21 -4.21 1.47 -1.26 0.10 116.67 120.92 1k3j s ASP 103 Ca 0.01 1.20 0.13 0.00 1.18 0.00 0.00 52.55 55.07 1k3j s ASP 103 Cb -0.16 -2.52 0.44 0.00 -0.34 0.00 0.00 42.92 40.34 1k3j s ASP 103 CO -0.04 -0.71 1.19 2.30 0.68 0.00 0.00 175.17 178.60 1k3j n ILE 104 N 5.48 1.93 -2.92 2.11 -5.35 -0.86 0.25 119.36 119.99 1k3j n ILE 104 Ca 0.11 -3.21 -0.27 0.00 -0.27 0.00 0.00 62.75 59.11 1k3j n ILE 104 Cb 0.47 -0.21 -0.01 0.00 -1.74 0.00 0.00 39.64 38.15 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1k3j s SER 105 N -3.23 6.31 -0.02 7.28 0.15 0.38 -4.23 113.70 120.34 1k3j s SER 105 Ca 0.40 0.80 -0.24 0.00 0.70 0.00 0.00 55.95 57.61 1k3j s SER 105 Cb 0.38 -2.19 -0.18 0.00 -1.71 0.00 0.00 66.02 62.32 1k3j s SER 105 CO -0.05 -0.45 1.17 0.74 1.20 0.00 0.00 173.24 175.85 1k3j h THR 106 N 0.55 1.07 0.00 6.45 2.02 -1.87 -3.35 112.91 117.78 1k3j h THR 106 Ca -0.48 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1k3j h THR 106 Cb 1.21 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1k3j h THR 106 CO 0.62 0.23 -1.26 -0.46 0.37 0.00 0.00 175.52 175.02 1k3j n ASN 107 N -4.95 0.63 0.00 4.18 0.23 -1.26 -5.06 115.26 109.03 1k3j n ASN 107 Ca -0.09 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 1k3j n ASN 107 Cb 0.25 0.85 0.00 0.00 -2.08 0.00 0.00 39.78 38.80 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k3j n GLY 108 N 1.21 4.36 3.37 4.83 0.00 -1.26 -5.00 105.19 112.70 1k3j n GLY 108 Ca -0.01 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.07 2.52 0.09 2.61 2.01 -1.26 -4.37 115.64 115.17 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 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1k3j s THR 109 CO 0.00 0.58 -0.12 0.26 -0.69 0.00 0.00 174.62 174.65 1k3j s TRP 110 N -0.45 2.70 -0.21 4.92 0.51 0.37 -2.68 118.94 124.09 1k3j s TRP 110 Ca 0.05 -0.17 0.01 0.00 -2.12 0.00 0.00 56.10 53.87 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 0.39 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.58 1k3j s LEU 111 N -2.00 2.47 -1.67 2.99 2.96 0.90 0.13 118.68 124.47 1k3j s LEU 111 Ca 0.19 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.96 1k3j s LEU 111 Cb -0.11 -1.27 0.13 0.00 0.50 0.00 0.00 46.19 45.44 1k3j s LEU 111 CO 0.11 -0.16 0.60 0.59 -1.32 0.00 0.00 176.35 176.17 1k3j n ASN 112 N 4.65 -2.02 0.00 3.68 3.02 -0.59 0.82 115.26 124.82 1k3j n ASN 112 Ca -0.14 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1k3j n ASN 112 Cb 0.46 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 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 -1.58 1.62 3.44 7.41 0.00 -1.26 -5.01 105.19 109.80 1k3j n GLY 113 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.31 3.54 -0.25 1.61 0.74 0.24 -5.06 119.66 120.17 1k3j s GLN 114 Ca 0.00 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.55 1k3j s GLN 114 Cb 0.00 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 1k3j s GLN 114 CO 0.00 -0.27 1.41 0.21 -0.55 0.00 0.00 175.29 176.09 1k3j s LYS 115 N 1.61 3.92 0.38 1.67 2.47 -1.26 -0.07 119.74 128.46 1k3j s LYS 115 Ca 0.06 1.47 -0.01 0.00 -1.56 0.00 0.00 55.97 55.92 1k3j s LYS 115 Cb -0.16 -3.92 -0.04 0.00 -1.46 0.00 0.00 37.83 32.26 1k3j s LYS 115 CO 0.05 -1.12 0.61 0.14 0.16 0.00 0.00 175.35 175.19 1k3j s VAL 116 N 4.53 5.05 0.08 4.02 -7.23 -1.09 -4.97 120.40 120.79 1k3j s VAL 116 Ca 0.62 -0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 60.23 1k3j s VAL 116 Cb -0.21 -3.85 -0.07 0.00 0.56 0.00 0.00 36.38 32.81 1k3j s VAL 116 CO 0.24 -0.62 1.38 -0.70 -0.31 0.00 0.00 175.10 175.09 1k3j s GLU 117 N -4.37 4.32 0.98 4.82 2.12 -1.26 -4.60 118.70 120.72 1k3j s GLU 117 Ca 0.42 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.63 1k3j s GLU 117 Cb -0.10 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.97 1k3j s GLU 117 CO 0.38 -0.46 0.16 1.17 -0.54 0.00 0.00 175.26 175.97 1k3j n LYS 118 N 4.31 -0.41 -2.90 4.30 4.81 -1.26 -2.03 118.16 124.98 1k3j n LYS 118 Ca 0.12 -0.09 -0.17 0.00 -0.87 0.00 0.00 58.31 57.30 1k3j n LYS 118 Cb 0.43 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 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 -0.64 -1.04 -4.34 3.14 0.23 0.68 -4.85 115.26 108.44 1k3j n ASN 119 Ca 0.05 -0.34 -0.35 0.00 -0.53 0.00 0.00 54.58 53.41 1k3j n ASN 119 Cb 0.55 -0.95 -0.14 0.00 -2.08 0.00 0.00 39.78 37.16 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 -2.08 4.29 0.04 0.53 0.15 -0.86 -4.92 113.70 110.86 1k3j s SER 120 Ca 0.33 -0.36 -0.31 0.00 0.70 0.00 0.00 55.95 56.32 1k3j s SER 120 Cb -0.20 -1.72 -0.07 0.00 -1.71 0.00 0.00 66.02 62.33 1k3j s SER 120 CO 0.41 0.03 1.47 0.20 1.20 0.00 0.00 173.24 176.55 1k3j s ASN 121 N 1.20 6.77 0.05 5.45 -0.87 -1.26 -4.33 114.94 121.96 1k3j s ASN 121 Ca 0.02 2.27 0.05 0.00 -1.57 0.00 0.00 52.86 53.63 1k3j s ASN 121 Cb -0.14 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.49 1k3j s ASN 121 CO -0.01 -0.76 -0.15 -1.10 -2.57 0.00 0.00 177.10 172.50 1k3j s GLN 122 N 2.23 0.95 -0.09 -0.60 -1.52 -1.06 -4.92 119.66 114.65 1k3j s GLN 122 Ca 0.67 -0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 52.91 1k3j s GLN 122 Cb -0.35 -0.99 -0.03 0.00 -0.22 0.00 0.00 33.01 31.42 1k3j s GLN 122 CO 0.29 0.24 1.35 -1.17 -0.25 0.00 0.00 175.29 175.74 1k3j s LEU 123 N -1.40 4.25 1.09 2.90 2.96 -1.26 -1.06 118.68 126.17 1k3j s LEU 123 Ca 0.01 1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 55.70 1k3j s LEU 123 Cb -0.09 -3.55 0.23 0.00 0.50 0.00 0.00 46.19 43.29 1k3j s LEU 123 CO 0.02 -0.74 0.98 0.18 -1.32 0.00 0.00 176.35 175.46 1k3j n LEU 124 N 6.14 -0.06 -4.31 -0.68 7.99 -0.96 -4.90 117.00 120.23 1k3j n LEU 124 Ca 0.14 0.03 -0.22 0.00 -0.01 0.00 0.00 56.01 55.94 1k3j n LEU 124 Cb 0.44 -1.31 -0.12 0.00 -0.11 0.00 0.00 43.42 42.33 1k3j n LEU 124 CO 0.57 -2.97 -0.49 -0.44 -1.51 0.00 0.00 177.39 172.56 1k3j s SER 125 N -2.42 2.57 -0.21 -1.43 0.01 -1.26 -4.97 113.70 105.99 1k3j s SER 125 Ca 0.67 -0.79 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1k3j s SER 125 Cb -0.24 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 1k3j s SER 125 CO 0.63 -0.01 1.51 -1.10 0.41 0.00 0.00 173.24 174.68 1k3j s GLN 126 N -2.46 3.93 -1.61 12.44 -1.52 -1.26 -2.41 119.66 126.77 1k3j s GLN 126 Ca 0.12 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 55.17 1k3j s GLN 126 Cb -0.07 -3.96 0.00 0.00 -0.22 0.00 0.00 33.01 28.76 1k3j s GLN 126 CO 0.05 -1.12 0.00 0.41 -0.25 0.00 0.00 175.29 174.38 1k3j n GLY 127 N 4.38 0.08 3.32 3.09 0.00 -1.02 -4.97 105.19 110.07 1k3j n GLY 127 Ca 0.17 -0.14 -0.29 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 -1.31 -3.04 -3.78 1.61 2.03 -1.01 -4.57 116.55 106.48 1k3j n ASP 128 Ca -0.21 -0.53 -0.13 0.00 0.52 0.00 0.00 54.79 54.45 1k3j n ASP 128 Cb 0.65 -1.11 -0.13 0.00 -0.72 0.00 0.00 41.12 39.81 1k3j n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k3j s GLU 129 N -4.64 0.19 -0.16 -0.67 2.02 -1.26 -0.23 118.70 113.96 1k3j s GLU 129 Ca 0.67 0.35 -0.02 0.00 0.02 0.00 0.00 54.97 55.98 1k3j s GLU 129 Cb -0.18 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 1k3j s GLU 129 CO 0.61 -0.09 -0.07 0.42 0.02 0.00 0.00 175.26 176.15 1k3j s ILE 130 N 0.61 3.51 -0.08 -1.63 1.01 0.38 -1.55 121.20 123.45 1k3j s ILE 130 Ca -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 1k3j s ILE 130 Cb -0.06 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1k3j s ILE 130 CO -0.03 0.49 0.07 -0.89 0.00 0.00 0.00 174.94 174.58 1k3j s THR 131 N 0.52 4.82 0.05 2.92 2.01 0.36 0.12 115.64 126.44 1k3j s THR 131 Ca -0.05 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1k3j s THR 131 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1k3j s THR 131 CO 0.03 0.54 -0.02 0.68 -0.69 0.00 0.00 174.62 175.17 1k3j s VAL 132 N -1.02 0.20 -0.19 3.82 -7.23 0.24 0.14 120.40 116.36 1k3j s VAL 132 Ca 0.16 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1k3j s VAL 132 Cb -0.12 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1k3j s VAL 132 CO 0.06 -0.91 0.17 0.61 -0.31 0.00 0.00 175.10 174.72 1k3j n GLY 133 N 0.31 0.55 3.78 2.32 0.00 -1.26 0.14 105.19 111.02 1k3j n GLY 133 Ca -0.15 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.05 4.35 0.00 1.61 1.01 -1.26 -2.65 120.40 120.41 1k3j s VAL 134 Ca 0.05 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1k3j s VAL 134 Cb -0.02 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1k3j s VAL 134 CO 0.11 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1k3j n GLY 135 N 1.50 3.83 2.98 4.51 0.00 -1.26 -5.02 105.19 111.72 1k3j n GLY 135 Ca -0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 0.57 1.61 1.01 -1.26 -5.00 120.40 118.69 1k3j s VAL 136 Ca 0.00 -0.50 0.31 0.00 0.00 0.00 0.00 61.98 61.78 1k3j s VAL 136 Cb 0.00 -1.31 0.44 0.00 0.00 0.00 0.00 36.38 35.50 1k3j s VAL 136 CO 0.00 0.42 1.83 -0.08 0.00 0.00 0.00 175.10 177.27 1k3j h GLU 137 N 8.10 0.00 -0.34 2.72 4.81 -1.98 0.83 114.58 128.72 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 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1k3j h GLU 137 CO 0.48 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.19 1k3j n SER 138 N -3.90 2.48 -0.64 1.04 7.64 -1.26 -4.17 113.62 114.81 1k3j n SER 138 Ca 0.15 -1.89 0.06 0.00 1.01 0.00 0.00 58.87 58.20 1k3j n SER 138 Cb 0.92 -0.22 0.12 0.00 -1.01 0.00 0.00 64.21 64.02 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 1.47 -4.66 6.43 8.00 0.29 -5.04 116.55 123.89 1k3j n ASP 139 Ca 0.17 -2.99 -0.35 0.00 0.71 0.00 0.00 54.79 52.33 1k3j n ASP 139 Cb 0.43 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1k3j s ILE 140 N -1.95 4.27 -0.05 0.53 1.01 -1.08 -4.26 121.20 119.66 1k3j s ILE 140 Ca 0.30 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1k3j s ILE 140 Cb 0.29 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 1k3j s ILE 140 CO -0.05 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.07 1k3j s LEU 141 N -0.69 1.93 0.11 2.97 0.20 0.37 -4.93 118.68 118.63 1k3j s LEU 141 Ca 0.11 -0.39 0.07 0.00 0.69 0.00 0.00 54.13 54.61 1k3j s LEU 141 Cb -0.12 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1k3j s LEU 141 CO 0.02 0.16 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.60 1k3j s SER 142 N 0.08 4.43 0.01 3.68 0.15 -1.26 0.83 113.70 121.62 1k3j s SER 142 Ca -0.06 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.23 1k3j s SER 142 Cb -0.13 -0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1k3j s SER 142 CO 0.03 0.17 -0.06 -0.76 1.20 0.00 0.00 173.24 173.83 1k3j s LEU 143 N -2.25 2.07 -0.06 3.45 2.01 0.12 -3.65 118.68 120.37 1k3j s LEU 143 Ca 0.22 -0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.16 1k3j s LEU 143 Cb -0.11 -0.24 -0.03 0.00 0.01 0.00 0.00 46.19 45.82 1k3j s LEU 143 CO 0.14 -0.01 -0.08 -0.69 1.01 0.00 0.00 176.35 176.73 1k3j s VAL 144 N -0.45 3.62 -0.24 -1.59 1.01 0.34 0.14 120.40 123.23 1k3j s VAL 144 Ca -0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1k3j s VAL 144 Cb -0.04 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1k3j s VAL 144 CO -0.00 0.59 0.06 -0.63 0.00 0.00 0.00 175.10 175.12 1k3j s ILE 145 N -0.81 4.28 -0.36 2.22 -1.09 0.69 0.76 121.20 126.90 1k3j s ILE 145 Ca 0.12 -0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.29 1k3j s ILE 145 Cb -0.11 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1k3j s ILE 145 CO 0.01 0.36 0.14 0.12 -1.23 0.00 0.00 174.94 174.34 1k3j s PHE 146 N 1.48 3.28 -0.07 3.97 2.19 0.35 -2.44 117.98 126.74 1k3j s PHE 146 Ca 0.06 -1.44 -0.25 0.00 0.33 0.00 0.00 56.93 55.63 1k3j s PHE 146 Cb -0.15 -2.44 -0.03 0.00 -1.31 0.00 0.00 43.02 39.09 1k3j s PHE 146 CO 0.03 -0.75 0.78 0.42 1.83 0.00 0.00 175.22 177.53 1k3j s ILE 147 N 1.41 4.98 0.01 3.12 1.09 -1.26 0.12 121.20 130.67 1k3j s ILE 147 Ca -0.00 1.60 -0.30 0.00 -1.10 0.00 0.00 60.65 60.85 1k3j s ILE 147 Cb -0.20 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.04 1k3j s ILE 147 CO 0.03 0.20 1.15 0.21 -0.10 0.00 0.00 174.94 176.43 1k3j s ASN 148 N 0.90 7.13 0.26 3.58 3.84 -1.17 -4.93 114.94 124.55 1k3j s ASN 148 Ca 0.41 1.88 0.11 0.00 0.21 0.00 0.00 52.86 55.47 1k3j s ASN 148 Cb -0.18 -2.57 0.29 0.00 -0.55 0.00 0.00 41.25 38.24 1k3j s ASN 148 CO 0.19 -0.46 1.56 -0.78 -2.79 0.00 0.00 177.10 174.83 1k3j h ASP 149 N 6.99 0.00 -0.69 -4.21 3.58 -1.92 -3.20 116.42 116.98 1k3j h ASP 149 Ca -0.39 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.10 1k3j h ASP 149 Cb 1.20 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1k3j h ASP 149 CO 0.82 0.64 0.42 0.11 -2.88 0.00 0.00 179.24 178.35 1k3j h LYS 150 N 0.00 0.77 -0.70 0.28 6.56 -1.92 -1.60 116.57 119.96 1k3j h LYS 150 Ca -0.01 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1k3j h LYS 150 Cb 1.20 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 32.64 1k3j h LYS 150 CO 0.08 0.51 0.45 0.35 -2.06 0.00 0.00 179.45 178.78 1k3j h PHE 151 N 0.80 0.84 -0.30 -1.35 3.57 -1.86 -1.84 116.94 116.80 1k3j h PHE 151 Ca 0.29 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1k3j h PHE 151 Cb 0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1k3j h PHE 151 CO -0.05 0.49 -0.02 0.87 -2.23 0.00 0.00 178.31 177.36 1k3j h LYS 152 N 0.88 0.46 -0.34 1.11 1.57 -1.45 -2.21 116.57 116.59 1k3j h LYS 152 Ca 0.28 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1k3j h LYS 152 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1k3j h LYS 152 CO -0.10 0.50 0.18 1.96 -0.57 0.00 0.00 179.45 181.43 1k3j h GLN 153 N 0.44 0.36 -0.29 3.15 4.20 -0.45 0.15 115.11 122.68 1k3j h GLN 153 Ca 0.09 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1k3j h GLN 153 Cb 0.32 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1k3j h GLN 153 CO 0.01 0.24 -0.11 0.00 -0.67 0.00 0.00 178.83 178.30 1k3j h LEU 155 N 0.34 0.72 -0.64 0.00 6.46 -1.15 0.53 115.31 121.57 1k3j h LEU 155 Ca 0.07 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1k3j h LEU 155 Cb 0.62 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1k3j h LEU 155 CO 0.04 0.56 0.42 -0.33 -0.62 0.00 0.00 178.44 178.50 1k3j h GLU 156 N 0.83 0.85 0.18 1.25 5.08 -0.56 -2.92 114.58 119.28 1k3j h GLU 156 Ca 0.22 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 58.22 1k3j h GLU 156 Cb -0.02 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.06 1k3j h GLU 156 CO -0.04 0.57 -1.39 0.37 -1.00 0.00 0.00 179.01 177.52 1k3j h GLN 157 N 0.87 0.37 -6.25 2.33 -0.00 -1.29 -3.49 115.11 107.65 1k3j h GLN 157 Ca 0.23 -0.64 -0.04 0.00 -0.00 0.00 0.00 58.65 58.20 1k3j h GLN 157 Cb -0.09 0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1k3j h GLN 157 CO -0.05 1.29 -1.02 0.27 0.00 0.00 0.00 178.83 179.33 1k3j n ASN 158 N -3.59 -6.61 -4.07 -0.69 0.23 0.18 -4.99 115.26 95.72 1k3j n ASN 158 Ca -0.13 0.44 -0.28 0.00 -0.53 0.00 0.00 54.58 54.08 1k3j n ASN 158 Cb 1.06 -2.02 -0.17 0.00 -2.08 0.00 0.00 39.78 36.58 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 -1.25 2.26 -0.02 -3.83 2.47 -1.26 -5.09 119.74 113.01 1k3j s LYS 159 Ca 0.05 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 53.59 1k3j s LYS 159 Cb -0.01 -1.88 -0.03 0.00 -1.46 0.00 0.00 37.83 34.45 1k3j s LYS 159 CO 0.19 -0.02 0.91 0.14 0.16 0.00 0.00 175.35 176.73 1k3j s VAL 160 N 0.85 4.91 -1.10 4.02 -7.23 -1.26 -4.99 120.40 115.60 1k3j s VAL 160 Ca -0.09 1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 61.89 1k3j s VAL 160 Cb -0.15 -4.24 0.28 0.00 0.56 0.00 0.00 36.38 32.82 1k3j s VAL 160 CO 0.00 0.18 1.17 -0.67 -0.31 0.00 0.00 175.10 175.47 1k3j n ASP 161 N 3.93 5.64 -3.75 4.85 -0.08 -1.26 -4.96 116.55 120.92 1k3j n ASP 161 Ca 0.04 -3.11 -0.26 0.00 -1.51 0.00 0.00 54.79 49.95 1k3j n ASP 161 Cb 0.51 -1.34 -0.17 0.00 2.34 0.00 0.00 41.12 42.46 1k3j n ASP 161 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1k3j s ARG 162 N -1.59 0.68 -0.08 -0.67 0.52 -1.26 -5.13 118.95 111.43 1k3j s ARG 162 Ca 0.31 -0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.10 1k3j s ARG 162 Cb -0.07 -1.74 -0.05 0.00 0.52 0.00 0.00 34.95 33.62 1k3j s ARG 162 CO -0.05 -0.52 0.45 0.42 0.02 0.00 0.00 175.30 175.62 1k3j s ILE 163 N 1.89 5.13 -1.57 1.52 1.09 -1.26 -5.32 121.20 122.69 1k3j s ILE 163 Ca 0.01 0.90 0.13 0.00 -1.10 0.00 0.00 60.65 60.59 1k3j s ILE 163 Cb -0.15 -3.78 0.10 0.00 -1.06 0.00 0.00 42.46 37.57 1k3j s ILE 163 CO -0.07 0.41 0.90 -1.14 -0.10 0.00 0.00 174.94 174.93