#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 0.12 -0.04 0.00 -2.24 -1.26 -4.78 114.28 106.08 1k3j n THR 15 Ca 0.00 0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1k3j n THR 15 Cb 0.00 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1k3j h GLN 16 N 0.00 0.76 -0.43 -0.78 1.08 -2.06 -3.00 115.11 110.67 1k3j h GLN 16 Ca 0.00 -0.50 0.02 0.00 -1.45 0.00 0.00 58.65 56.72 1k3j h GLN 16 Cb 0.13 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 1k3j h GLN 16 CO 0.00 1.13 0.25 0.00 -0.95 0.00 0.00 178.83 179.26 1k3j h ARG 17 N 0.57 0.49 -0.47 1.46 3.08 -2.01 -2.01 114.38 115.50 1k3j h ARG 17 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1k3j h ARG 17 Cb 1.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1k3j h ARG 17 CO 0.12 0.33 0.23 0.74 -1.07 0.00 0.00 179.97 180.32 1k3j h PHE 18 N 0.51 0.64 -0.45 3.04 0.04 -1.86 -2.52 116.94 116.33 1k3j h PHE 18 Ca 0.17 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1k3j h PHE 18 Cb 0.02 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1k3j h PHE 18 CO -0.07 0.47 0.26 1.25 -0.60 0.00 0.00 178.31 179.62 1k3j h LEU 19 N 0.65 0.55 -1.27 1.54 6.46 -1.23 -2.48 115.31 119.53 1k3j h LEU 19 Ca 0.17 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1k3j h LEU 19 Cb 0.06 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1k3j h LEU 19 CO -0.02 0.46 0.14 0.40 -0.62 0.00 0.00 178.44 178.80 1k3j h ILE 20 N 0.60 1.18 -0.61 4.05 1.08 -1.07 -2.56 117.51 120.18 1k3j h ILE 20 Ca 0.16 -0.62 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 1k3j h ILE 20 Cb 0.02 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.42 1k3j h ILE 20 CO -0.03 0.23 0.34 -0.33 -0.69 0.00 0.00 178.15 177.67 1k3j h GLU 21 N 0.63 0.62 0.00 2.37 3.07 -1.14 0.51 114.58 120.65 1k3j h GLU 21 Ca 0.15 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1k3j h GLU 21 Cb 0.19 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1k3j h GLU 21 CO -0.01 0.41 -0.13 0.87 -1.40 0.00 0.00 179.01 178.75 1k3j h LYS 22 N 0.64 0.00 -0.38 2.33 6.56 -1.30 -2.37 116.57 122.05 1k3j h LYS 22 Ca 0.27 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.90 1k3j h LYS 22 Cb 0.14 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 1k3j h LYS 22 CO -0.16 0.13 0.14 0.35 -2.06 0.00 0.00 179.45 177.85 1k3j h PHE 23 N 0.00 0.24 0.07 -1.35 3.57 -0.59 -3.14 116.94 115.74 1k3j h PHE 23 Ca -0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1k3j h PHE 23 Cb 0.46 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.16 1k3j h PHE 23 CO 0.00 0.10 -0.56 0.77 -2.23 0.00 0.00 178.31 176.39 1k3j h SER 24 N 0.29 0.24 -4.10 0.41 0.02 -1.46 -3.49 113.55 105.46 1k3j h SER 24 Ca 0.17 -0.94 0.25 0.00 -0.84 0.00 0.00 61.79 60.43 1k3j h SER 24 Cb 0.15 -0.08 -0.20 0.00 0.14 0.00 0.00 62.40 62.41 1k3j h SER 24 CO -0.17 1.26 0.82 -1.10 -1.14 0.00 0.00 176.83 176.49 1k3j s GLN 25 N -2.34 0.28 0.29 3.45 -0.21 -0.91 -5.16 119.66 115.06 1k3j s GLN 25 Ca -0.17 -0.08 -0.14 0.00 0.02 0.00 0.00 55.36 54.99 1k3j s GLN 25 Cb -0.00 0.13 -0.08 0.00 1.00 0.00 0.00 33.01 34.06 1k3j s GLN 25 CO 0.75 -0.12 0.68 -1.21 -2.12 0.00 0.00 175.29 173.27 1k3j s GLU 26 N -2.17 3.96 -0.68 2.91 2.02 -1.26 -3.81 118.70 119.67 1k3j s GLU 26 Ca 0.09 0.57 -0.27 0.00 0.02 0.00 0.00 54.97 55.38 1k3j s GLU 26 Cb -0.01 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.73 1k3j s GLU 26 CO -0.05 0.22 1.21 -0.65 0.02 0.00 0.00 175.26 176.01 1k3j s GLN 27 N -2.86 3.27 0.11 1.61 -0.21 -1.26 -5.00 119.66 115.32 1k3j s GLN 27 Ca 0.51 -0.18 -0.24 0.00 0.02 0.00 0.00 55.36 55.47 1k3j s GLN 27 Cb -0.11 -4.14 -0.07 0.00 1.00 0.00 0.00 33.01 29.69 1k3j s GLN 27 CO 0.19 -1.96 0.74 0.42 -2.12 0.00 0.00 175.29 172.55 1k3j s ILE 28 N 5.27 4.54 0.00 1.08 -1.09 -1.26 -4.86 121.20 124.87 1k3j s ILE 28 Ca 0.35 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1k3j s ILE 28 Cb -0.09 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1k3j s ILE 28 CO 0.17 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 1k3j n GLY 29 N 1.85 0.99 0.20 6.18 0.00 -1.26 -5.01 105.19 108.14 1k3j n GLY 29 Ca -0.06 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1k3j n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k3j h GLU 30 N 0.00 0.68 0.00 1.61 4.57 -2.02 -3.43 114.58 115.99 1k3j h GLU 30 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1k3j h GLU 30 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1k3j h GLU 30 CO 0.00 1.09 0.00 0.09 -1.18 0.00 0.00 179.01 179.01 1k3j n ASN 31 N -4.15 0.00 -4.75 1.04 5.03 -1.26 -5.07 115.26 106.10 1k3j n ASN 31 Ca -0.06 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.98 1k3j n ASN 31 Cb 0.60 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.32 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1k3j s ILE 32 N 0.00 3.50 -0.16 2.41 -1.09 -1.26 -1.14 121.20 123.46 1k3j s ILE 32 Ca 0.00 1.35 -0.12 0.00 -2.23 0.00 0.00 60.65 59.65 1k3j s ILE 32 Cb 0.00 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1k3j s ILE 32 CO 0.00 0.26 -0.23 0.52 -1.23 0.00 0.00 174.94 174.26 1k3j n VAL 33 N 1.94 1.45 -3.81 2.92 0.31 0.22 -4.46 118.33 116.90 1k3j n VAL 33 Ca 0.02 0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1k3j n VAL 33 Cb 0.45 -2.37 -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 -2.97 2.29 -0.24 0.00 3.52 0.30 -0.55 118.95 121.31 1k3j s ARG 35 Ca -0.02 -0.92 -0.08 0.00 -0.13 0.00 0.00 55.73 54.59 1k3j s ARG 35 Cb 0.01 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 1k3j s ARG 35 CO -0.06 0.49 0.08 0.14 -0.81 0.00 0.00 175.30 175.14 1k3j s VAL 36 N -0.44 4.57 -0.12 7.11 -7.23 -0.61 0.13 120.40 123.82 1k3j s VAL 36 Ca 0.05 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 1k3j s VAL 36 Cb -0.11 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.72 1k3j s VAL 36 CO 0.01 0.36 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.38 1k3j s ILE 37 N 1.30 1.52 -0.51 -0.62 1.01 0.24 -1.70 121.20 122.44 1k3j s ILE 37 Ca 0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 1k3j s ILE 37 Cb -0.15 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1k3j s ILE 37 CO 0.04 0.45 1.16 0.00 0.00 0.00 0.00 174.94 176.58 1k3j h THR 39 N 6.21 0.83 0.00 0.00 1.03 -1.89 -2.95 112.91 116.15 1k3j h THR 39 Ca -0.24 -1.69 0.00 0.00 -0.01 0.00 0.00 66.41 64.47 1k3j h THR 39 Cb 1.06 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 70.20 1k3j h THR 39 CO 1.15 0.39 0.00 0.35 -0.01 0.00 0.00 175.52 177.40 1k3j n THR 40 N -3.41 0.00 -2.77 0.00 -2.24 -1.25 -4.95 114.28 99.66 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 0.57 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1k3j n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3j n GLY 41 N 1.10 -1.22 0.77 3.38 0.00 -1.11 -4.99 105.19 103.13 1k3j n GLY 41 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.77 0.00 -5.05 1.61 6.02 -1.26 -5.11 117.38 112.81 1k3j n GLN 42 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.75 1k3j n GLN 42 Cb 0.44 -0.21 -0.15 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 -1.39 2.43 0.42 5.09 1.01 -1.26 -4.76 121.20 122.75 1k3j s ILE 43 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 1k3j s ILE 43 Cb 0.00 -1.91 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 1k3j s ILE 43 CO 0.00 0.52 1.11 -2.16 0.00 0.00 0.00 174.94 174.41 1k3j s PRO 44 N -0.84 3.99 0.40 2.79 0.04 -1.26 -4.08 135.00 136.03 1k3j s PRO 44 Ca 0.11 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1k3j s PRO 44 Cb -0.10 -2.51 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 1k3j s PRO 44 CO 0.01 -0.33 1.13 -0.89 0.04 0.00 0.00 177.00 176.96 1k3j n ILE 45 N -0.21 2.38 -4.92 0.56 5.41 -1.26 -4.85 119.36 116.47 1k3j n ILE 45 Ca 0.06 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 63.03 1k3j n ILE 45 Cb 0.48 -1.33 -0.16 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.01 2.04 -0.26 0.38 6.06 -0.69 -4.99 118.95 119.48 1k3j s ARG 46 Ca 0.61 -0.66 -0.18 0.00 -2.50 0.00 0.00 55.73 52.99 1k3j s ARG 46 Cb -0.56 -1.72 -0.03 0.00 0.06 0.00 0.00 34.95 32.71 1k3j s ARG 46 CO 0.58 0.23 0.53 0.16 -2.50 0.00 0.00 175.30 174.30 1k3j s ASP 47 N 0.12 6.45 -0.16 -2.12 1.47 -1.26 -1.58 116.67 119.59 1k3j s ASP 47 Ca -0.07 0.53 -0.11 0.00 1.18 0.00 0.00 52.55 54.08 1k3j s ASP 47 Cb -0.13 -2.29 -0.05 0.00 -0.34 0.00 0.00 42.92 40.11 1k3j s ASP 47 CO 0.03 -0.30 0.21 -0.76 0.68 0.00 0.00 175.17 175.04 1k3j s LEU 48 N 2.33 4.26 0.05 2.11 1.43 0.29 -5.02 118.68 124.14 1k3j s LEU 48 Ca 0.22 0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1k3j s LEU 48 Cb -0.16 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1k3j s LEU 48 CO 0.09 0.19 0.09 -0.94 0.23 0.00 0.00 176.35 176.00 1k3j s SER 49 N 0.14 0.25 0.00 2.29 1.04 -1.26 0.70 113.70 116.85 1k3j s SER 49 Ca 0.13 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 1k3j s SER 49 Cb -0.12 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1k3j s SER 49 CO 0.02 -0.59 0.02 0.00 0.98 0.00 0.00 173.24 173.67 1k3j s ALA 50 N -3.28 -0.02 -0.30 5.32 0.00 -0.29 -4.78 121.76 118.40 1k3j s ALA 50 Ca 0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1k3j s ALA 50 Cb 0.03 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1k3j s ALA 50 CO -0.08 -0.11 1.36 -0.51 0.00 0.00 0.00 175.76 176.42 1k3j s ASP 51 N -0.90 6.59 0.16 0.00 1.01 -1.26 -4.70 116.67 117.57 1k3j s ASP 51 Ca -0.10 1.22 -0.12 0.00 0.71 0.00 0.00 52.55 54.26 1k3j s ASP 51 Cb -0.06 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1k3j s ASP 51 CO -0.00 -1.15 1.67 0.40 0.21 0.00 0.00 175.17 176.30 1k3j h ILE 52 N 6.05 1.24 -0.92 0.77 2.04 -1.97 -2.16 117.51 122.55 1k3j h ILE 52 Ca -0.27 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 64.79 1k3j h ILE 52 Cb 1.11 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1k3j h ILE 52 CO 1.04 0.32 0.58 -1.28 0.00 0.00 0.00 178.15 178.81 1k3j h SER 53 N 0.78 0.93 -0.19 1.72 0.87 -1.99 0.11 113.55 115.78 1k3j h SER 53 Ca 0.17 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 1k3j h SER 53 Cb 0.33 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1k3j h SER 53 CO -0.00 0.60 -0.31 1.56 -0.53 0.00 0.00 176.83 178.15 1k3j h GLN 54 N 1.07 0.69 -0.05 2.24 1.08 -1.93 -0.46 115.11 117.75 1k3j h GLN 54 Ca 0.40 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1k3j h GLN 54 Cb 0.16 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1k3j h GLN 54 CO -0.17 0.90 -0.01 0.28 -0.95 0.00 0.00 178.83 178.89 1k3j h VAL 55 N 0.58 1.29 -0.61 -0.54 2.07 -0.57 -0.49 116.25 117.98 1k3j h VAL 55 Ca 0.07 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1k3j h VAL 55 Cb 0.81 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1k3j h VAL 55 CO 0.07 0.24 0.03 0.25 0.02 0.00 0.00 177.57 178.18 1k3j h LEU 56 N -0.25 1.03 -0.42 2.57 6.46 -0.81 -3.06 115.31 120.81 1k3j h LEU 56 Ca 0.01 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 1k3j h LEU 56 Cb 0.39 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1k3j h LEU 56 CO 0.00 1.07 0.07 0.11 -0.62 0.00 0.00 178.44 179.07 1k3j h LYS 57 N 0.96 0.70 -4.56 1.25 1.57 -1.07 -3.39 116.57 112.03 1k3j h LYS 57 Ca 0.18 -0.19 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 1k3j h LYS 57 Cb 0.52 -0.08 -0.26 0.00 0.08 0.00 0.00 32.23 32.48 1k3j h LYS 57 CO 0.02 0.74 -0.52 -2.00 -0.57 0.00 0.00 179.45 177.12 1k3j s GLU 58 N -5.19 2.71 -1.25 3.15 2.12 -0.20 -5.02 118.70 115.03 1k3j s GLU 58 Ca -0.13 -1.22 -0.15 0.00 0.36 0.00 0.00 54.97 53.83 1k3j s GLU 58 Cb 0.10 -3.69 0.13 0.00 0.26 0.00 0.00 34.13 30.94 1k3j s GLU 58 CO 0.78 -0.77 1.57 1.17 -0.54 0.00 0.00 175.26 177.47 1k3j n LYS 59 N 4.93 3.31 -4.46 4.30 0.00 -1.26 -4.61 118.16 120.38 1k3j n LYS 59 Ca -0.11 -3.62 -0.27 0.00 0.00 0.00 0.00 58.31 54.31 1k3j n LYS 59 Cb 0.45 -3.20 -0.10 0.00 0.00 0.00 0.00 35.03 32.18 1k3j n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k3j s ARG 60 N 2.47 2.03 0.45 1.64 1.81 -1.26 -5.03 118.95 121.04 1k3j s ARG 60 Ca 0.47 -2.00 0.25 0.00 -1.72 0.00 0.00 55.73 52.73 1k3j s ARG 60 Cb 0.00 -1.76 0.53 0.00 -0.45 0.00 0.00 34.95 33.27 1k3j s ARG 60 CO 0.03 -0.04 1.68 1.03 -0.68 0.00 0.00 175.30 177.32 1k3j h SER 61 N 1.70 0.00 -3.91 0.23 0.87 -1.92 -3.26 113.55 107.26 1k3j h SER 61 Ca -0.43 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.76 1k3j h SER 61 Cb 1.24 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.91 1k3j h SER 61 CO 0.76 0.00 -0.77 -0.51 -0.53 0.00 0.00 176.83 175.78 1k3j s ILE 62 N -3.28 0.56 0.00 2.23 1.10 -1.26 -4.33 121.20 116.22 1k3j s ILE 62 Ca 0.06 -0.28 0.00 0.00 -0.51 0.00 0.00 60.65 59.92 1k3j s ILE 62 Cb 0.06 -0.49 0.00 0.00 0.15 0.00 0.00 42.46 42.18 1k3j s ILE 62 CO 0.64 0.17 0.00 0.29 -2.11 0.00 0.00 174.94 173.93 1k3j n LYS 63 N 3.05 0.00 -3.90 3.50 4.01 -0.60 -4.90 118.16 119.33 1k3j n LYS 63 Ca -0.15 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.54 1k3j n LYS 63 Cb 0.57 -0.10 -0.12 0.00 -0.51 0.00 0.00 35.03 34.87 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 -0.89 0.17 -0.02 1.97 2.20 -1.15 -5.02 119.74 117.00 1k3j s LYS 64 Ca 0.00 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1k3j s LYS 64 Cb 0.00 0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1k3j s LYS 64 CO 0.00 -0.03 -0.16 0.08 -0.36 0.00 0.00 175.35 174.88 1k3j s VAL 65 N -0.58 1.26 -0.12 4.02 1.01 -1.26 -1.56 120.40 123.17 1k3j s VAL 65 Ca -0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1k3j s VAL 65 Cb -0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1k3j s VAL 65 CO -0.00 0.36 0.12 0.26 0.00 0.00 0.00 175.10 175.84 1k3j s TRP 66 N -0.32 3.54 -0.16 5.22 0.51 0.53 -4.88 118.94 123.38 1k3j s TRP 66 Ca 0.05 0.48 -0.01 0.00 -2.12 0.00 0.00 56.10 54.50 1k3j s TRP 66 Cb -0.07 -1.94 -0.01 0.00 -0.81 0.00 0.00 33.47 30.64 1k3j s TRP 66 CO -0.00 0.68 -0.11 0.99 -0.51 0.00 0.00 176.95 177.99 1k3j s THR 67 N -0.92 3.09 0.05 2.01 2.01 -1.26 0.13 115.64 120.75 1k3j s THR 67 Ca 0.14 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1k3j s THR 67 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1k3j s THR 67 CO 0.03 0.50 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.88 1k3j s PHE 68 N 0.68 2.44 -4.64 4.92 0.40 0.46 0.12 117.98 122.36 1k3j s PHE 68 Ca -0.06 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1k3j s PHE 68 Cb -0.15 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1k3j s PHE 68 CO 0.02 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.56 1k3j n GLY 69 N 1.59 -1.77 0.00 4.36 0.00 -0.94 0.16 105.19 108.59 1k3j n GLY 69 Ca -0.17 -1.23 0.11 0.00 0.00 0.00 0.00 46.02 44.74 1k3j n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k3j n ARG 70 N -0.25 0.67 -2.96 1.61 0.63 0.18 -3.11 116.66 113.43 1k3j n ARG 70 Ca 0.00 0.01 -0.40 0.00 -0.92 0.00 0.00 57.85 56.54 1k3j n ARG 70 Cb 0.00 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1k3j s ASN 71 N -2.06 7.15 0.12 6.15 3.84 0.18 -4.86 114.94 125.46 1k3j s ASN 71 Ca 0.33 1.38 0.17 0.00 0.21 0.00 0.00 52.86 54.95 1k3j s ASN 71 Cb 0.16 -2.46 0.72 0.00 -0.55 0.00 0.00 41.25 39.12 1k3j s ASN 71 CO 0.27 -0.08 1.51 -2.65 -2.79 0.00 0.00 177.10 173.37 1k3j n PRO 72 N 3.34 0.08 0.05 0.43 -0.02 -1.26 -2.11 135.00 135.51 1k3j n PRO 72 Ca -0.01 0.38 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1k3j n PRO 72 Cb 0.51 -1.67 -0.14 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.31 0.03 -0.96 3.55 0.00 -1.94 -3.47 119.26 118.78 1k3j h ALA 73 Ca 0.00 -0.92 -0.65 0.00 0.00 0.00 0.00 54.91 53.34 1k3j h ALA 73 Cb 0.24 0.30 0.10 0.00 0.00 0.00 0.00 17.79 18.43 1k3j h ALA 73 CO 0.00 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 179.46 1k3j h ASP 75 N 1.13 0.00 -3.21 0.00 1.82 0.61 -3.37 116.42 113.39 1k3j h ASP 75 Ca -0.29 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 55.82 1k3j h ASP 75 Cb 1.38 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.02 1k3j h ASP 75 CO 0.55 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.91 1k3j s TYR 76 N -3.96 1.53 -0.23 0.28 6.14 -0.12 -4.92 117.35 116.07 1k3j s TYR 76 Ca -0.04 -0.81 -0.13 0.00 0.64 0.00 0.00 57.07 56.73 1k3j s TYR 76 Cb 0.09 -1.25 -0.05 0.00 0.42 0.00 0.00 41.96 41.18 1k3j s TYR 76 CO 0.29 -0.54 0.26 -1.58 0.64 0.00 0.00 175.55 174.63 1k3j s HIS 77 N 1.69 3.33 0.51 4.97 5.65 -1.26 -2.21 115.29 127.97 1k3j s HIS 77 Ca 0.04 0.38 0.01 0.00 0.25 0.00 0.00 55.06 55.74 1k3j s HIS 77 Cb -0.13 -2.39 -0.00 0.00 -1.18 0.00 0.00 32.58 28.88 1k3j s HIS 77 CO -0.08 0.01 0.02 1.47 -0.65 0.00 0.00 174.74 175.51 1k3j n LEU 78 N 4.45 0.00 0.00 8.88 -0.00 -1.18 -4.84 117.00 124.32 1k3j n LEU 78 Ca -0.12 -3.25 -0.03 0.00 -0.00 0.00 0.00 56.01 52.60 1k3j n LEU 78 Cb 0.52 0.46 0.03 0.00 -0.00 0.00 0.00 43.42 44.43 1k3j n LEU 78 CO 0.37 -0.47 0.04 0.61 -0.00 0.00 0.00 177.39 177.94 1k3j n GLY 79 N -1.16 -2.91 3.11 1.47 0.00 -1.26 -4.79 105.19 99.65 1k3j n GLY 79 Ca -0.19 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.89 5.99 -0.21 1.61 2.20 -1.26 -4.68 114.94 116.70 1k3j s ASN 80 Ca 0.07 -3.72 -0.04 0.00 -0.94 0.00 0.00 52.86 48.24 1k3j s ASN 80 Cb -0.01 -1.91 -0.01 0.00 -2.00 0.00 0.00 41.25 37.32 1k3j s ASN 80 CO 0.06 -0.18 -0.05 -0.63 -2.94 0.00 0.00 177.10 173.36 1k3j s ILE 81 N -1.34 3.36 0.53 0.54 1.09 -1.26 -4.98 121.20 119.14 1k3j s ILE 81 Ca 0.27 -0.50 0.21 0.00 -1.10 0.00 0.00 60.65 59.54 1k3j s ILE 81 Cb -0.07 -2.52 0.34 0.00 -1.06 0.00 0.00 42.46 39.14 1k3j s ILE 81 CO -0.12 0.43 2.07 -1.28 -0.10 0.00 0.00 174.94 175.94 1k3j h SER 82 N 7.99 0.00 0.07 3.58 0.87 -1.99 0.12 113.55 124.19 1k3j h SER 82 Ca -0.40 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1k3j h SER 82 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1k3j h SER 82 CO 0.60 0.00 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.80 1k3j h ARG 83 N 0.00 0.00 -6.24 2.24 9.65 -1.94 -3.42 114.38 114.67 1k3j h ARG 83 Ca 0.13 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.40 1k3j h ARG 83 Cb 0.51 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.00 1k3j h ARG 83 CO -0.00 0.01 -0.61 -0.51 2.80 0.00 0.00 179.97 181.67 1k3j s LEU 84 N -7.07 3.66 0.43 3.80 1.02 0.03 -4.35 118.68 116.20 1k3j s LEU 84 Ca -0.05 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 53.99 1k3j s LEU 84 Cb 0.14 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1k3j s LEU 84 CO 0.50 0.11 0.61 -0.94 0.02 0.00 0.00 176.35 176.66 1k3j s SER 85 N -2.77 5.73 0.21 2.29 1.04 -1.26 -4.83 113.70 114.12 1k3j s SER 85 Ca 0.29 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.51 1k3j s SER 85 Cb -0.11 -1.16 0.21 0.00 0.10 0.00 0.00 66.02 65.07 1k3j s SER 85 CO 0.21 -0.72 1.58 0.78 0.98 0.00 0.00 173.24 176.07 1k3j h ASN 86 N 0.53 -1.17 -3.29 7.02 2.35 -1.92 -1.41 115.58 117.69 1k3j h ASN 86 Ca -0.44 0.26 -0.64 0.00 -0.55 0.00 0.00 56.30 54.93 1k3j h ASN 86 Cb 1.27 0.62 -0.40 0.00 0.05 0.00 0.00 38.32 39.86 1k3j h ASN 86 CO 0.53 -0.29 -0.48 -0.54 -1.65 0.00 0.00 177.43 175.00 1k3j s LYS 87 N -6.04 2.58 0.14 0.81 1.02 -1.26 0.49 119.74 117.49 1k3j s LYS 87 Ca -0.14 -3.26 -0.18 0.00 0.02 0.00 0.00 55.97 52.42 1k3j s LYS 87 Cb 0.19 -3.53 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1k3j s LYS 87 CO 0.71 -1.26 1.78 1.25 -0.92 0.00 0.00 175.35 176.91 1k3j h HIS 88 N 5.65 0.29 -3.84 3.18 2.76 0.20 -3.33 115.15 120.06 1k3j h HIS 88 Ca 0.12 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1k3j h HIS 88 Cb 0.78 -0.09 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 1k3j h HIS 88 CO 0.68 0.17 -0.40 -0.59 -1.30 0.00 0.00 177.93 176.48 1k3j s PHE 89 N -6.17 0.18 0.01 5.26 -0.71 -0.11 0.18 117.98 116.62 1k3j s PHE 89 Ca -0.13 -0.62 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1k3j s PHE 89 Cb 0.10 -0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 1k3j s PHE 89 CO 0.71 -0.52 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.86 1k3j s GLN 90 N -3.82 0.48 -0.08 1.99 0.74 0.43 0.17 119.66 119.57 1k3j s GLN 90 Ca 0.05 -0.32 0.05 0.00 0.05 0.00 0.00 55.36 55.19 1k3j s GLN 90 Cb 0.05 -0.43 -0.00 0.00 1.10 0.00 0.00 33.01 33.73 1k3j s GLN 90 CO -0.11 0.11 -0.24 0.42 -0.55 0.00 0.00 175.29 174.93 1k3j s ILE 91 N -0.38 2.01 -0.02 -2.34 1.01 0.34 0.15 121.20 121.97 1k3j s ILE 91 Ca -0.00 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1k3j s ILE 91 Cb -0.04 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1k3j s ILE 91 CO -0.00 0.55 -0.26 -1.48 0.00 0.00 0.00 174.94 173.75 1k3j s LEU 92 N 0.18 2.05 -0.05 2.97 2.34 0.00 0.20 118.68 126.37 1k3j s LEU 92 Ca -0.14 -0.47 0.04 0.00 0.06 0.00 0.00 54.13 53.63 1k3j s LEU 92 Cb -0.16 -1.34 -0.00 0.00 -0.56 0.00 0.00 46.19 44.13 1k3j s LEU 92 CO 0.07 0.31 -0.18 -0.22 -1.06 0.00 0.00 176.35 175.27 1k3j s LEU 93 N -0.58 1.92 0.35 1.48 1.98 -0.60 -0.18 118.68 123.04 1k3j s LEU 93 Ca 0.09 -0.38 0.03 0.00 -2.89 0.00 0.00 54.13 50.99 1k3j s LEU 93 Cb -0.10 -1.03 -0.05 0.00 0.66 0.00 0.00 46.19 45.67 1k3j s LEU 93 CO -0.01 0.15 0.08 -0.83 -1.89 0.00 0.00 176.35 173.85 1k3j s GLY 94 N 0.11 2.23 -0.49 7.98 0.00 -1.26 -1.55 107.32 114.33 1k3j s GLY 94 Ca -0.06 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 42.62 1k3j s GLY 94 CO 0.03 -1.81 1.51 1.85 0.00 0.00 0.00 173.10 174.67 1k3j s GLU 95 N -3.85 3.32 0.00 2.90 -6.30 -1.23 -4.17 118.70 109.37 1k3j s GLU 95 Ca 0.32 0.73 0.00 0.00 -2.50 0.00 0.00 54.97 53.53 1k3j s GLU 95 Cb 0.07 -4.13 0.00 0.00 0.00 0.00 0.00 34.13 30.07 1k3j s GLU 95 CO 0.15 -1.90 0.00 -3.47 0.02 0.00 0.00 175.26 170.06 1k3j n ASP 96 N 9.76 0.00 0.00 -1.70 2.03 -1.26 -4.89 116.55 120.50 1k3j n ASP 96 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1k3j n ASP 96 Cb 0.49 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k3j n GLY 97 N -0.79 1.25 3.15 0.27 0.00 -1.26 -5.06 105.19 102.76 1k3j n GLY 97 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.42 -4.31 1.61 3.02 -1.26 -4.97 115.26 111.76 1k3j n ASN 98 Ca 0.00 -2.55 -0.17 0.00 -0.03 0.00 0.00 54.58 51.83 1k3j n ASN 98 Cb 0.00 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k3j s LEU 99 N 0.00 2.54 0.01 3.41 0.20 -1.26 -4.31 118.68 119.27 1k3j s LEU 99 Ca 0.27 -1.01 0.09 0.00 0.69 0.00 0.00 54.13 54.17 1k3j s LEU 99 Cb -0.02 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 1k3j s LEU 99 CO 0.17 -0.21 -0.26 -0.76 -0.29 0.00 0.00 176.35 175.00 1k3j s LEU 100 N -3.22 2.11 -0.18 -0.68 1.43 0.75 -0.27 118.68 118.62 1k3j s LEU 100 Ca 0.20 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1k3j s LEU 100 Cb -0.00 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1k3j s LEU 100 CO 0.05 0.29 -0.09 -0.22 0.23 0.00 0.00 176.35 176.61 1k3j s LEU 101 N -0.91 2.82 -0.22 1.79 0.20 -0.09 -0.82 118.68 121.45 1k3j s LEU 101 Ca 0.11 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.58 1k3j s LEU 101 Cb -0.10 -1.68 0.03 0.00 -0.43 0.00 0.00 46.19 44.02 1k3j s LEU 101 CO 0.00 0.07 -0.15 0.21 -0.29 0.00 0.00 176.35 176.20 1k3j s ASN 102 N 0.90 3.78 0.20 3.68 2.47 0.39 -1.86 114.94 124.50 1k3j s ASN 102 Ca -0.02 -0.93 -0.30 0.00 0.42 0.00 0.00 52.86 52.03 1k3j s ASN 102 Cb -0.15 -1.54 -0.08 0.00 -1.45 0.00 0.00 41.25 38.04 1k3j s ASN 102 CO 0.00 -0.08 1.01 1.51 -3.72 0.00 0.00 177.10 175.82 1k3j s ASP 103 N 1.24 7.45 0.00 -4.21 1.47 -1.24 0.16 116.67 121.54 1k3j s ASP 103 Ca -0.00 2.00 0.23 0.00 1.18 0.00 0.00 52.55 55.95 1k3j s ASP 103 Cb -0.16 -2.61 0.38 0.00 -0.34 0.00 0.00 42.92 40.20 1k3j s ASP 103 CO -0.09 -0.04 1.15 2.30 0.68 0.00 0.00 175.17 179.17 1k3j n ILE 104 N 2.00 0.00 -3.43 2.11 -5.35 -0.51 0.22 119.36 114.40 1k3j n ILE 104 Ca 0.00 -0.89 -0.28 0.00 -0.27 0.00 0.00 62.75 61.32 1k3j n ILE 104 Cb 0.47 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 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 -1.89 6.40 -0.02 7.28 0.15 0.48 -4.34 113.70 121.77 1k3j s SER 105 Ca 0.30 0.60 -0.25 0.00 0.70 0.00 0.00 55.95 57.30 1k3j s SER 105 Cb 0.35 -2.09 -0.18 0.00 -1.71 0.00 0.00 66.02 62.38 1k3j s SER 105 CO -0.15 -0.18 1.16 0.74 1.20 0.00 0.00 173.24 176.01 1k3j h THR 106 N 1.30 1.12 -0.00 6.45 2.02 -1.88 -3.17 112.91 118.74 1k3j h THR 106 Ca -0.48 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1k3j h THR 106 Cb 1.19 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1k3j h THR 106 CO 0.66 0.24 -0.00 0.59 0.37 0.00 0.00 175.52 177.38 1k3j n ASN 107 N -4.93 0.05 0.00 4.18 3.02 -1.26 -5.00 115.26 111.32 1k3j n ASN 107 Ca -0.08 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1k3j n ASN 107 Cb 0.26 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.03 1.48 3.36 7.41 0.00 -1.20 -4.72 105.19 112.56 1k3j n GLY 108 Ca 0.23 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.74 2.49 0.08 2.61 2.01 -1.26 -4.41 115.64 114.42 1k3j s THR 109 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.14 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 -0.11 0.26 -0.69 0.00 0.00 174.62 174.66 1k3j s TRP 110 N -0.45 2.72 -0.21 4.92 0.51 0.34 -2.78 118.94 123.99 1k3j s TRP 110 Ca 0.05 -0.16 0.01 0.00 -2.12 0.00 0.00 56.10 53.88 1k3j s TRP 110 Cb -0.12 -1.46 0.05 0.00 -0.81 0.00 0.00 33.47 31.13 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 -1.99 2.42 -1.67 2.99 2.96 0.54 0.13 118.68 124.07 1k3j s LEU 111 Ca 0.20 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 1k3j s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 111 CO 0.11 -0.16 0.62 0.59 -1.32 0.00 0.00 176.35 176.20 1k3j n ASN 112 N 4.66 -2.18 0.00 3.68 3.02 -1.03 0.74 115.26 124.15 1k3j n ASN 112 Ca -0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1k3j n ASN 112 Cb 0.46 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 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 -1.55 1.81 3.47 7.41 0.00 -1.26 -5.01 105.19 110.05 1k3j n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.30 3.59 -0.21 1.61 2.00 0.23 -5.05 119.66 121.53 1k3j s GLN 114 Ca 0.00 -0.54 -0.29 0.00 -2.00 0.00 0.00 55.36 52.53 1k3j s GLN 114 Cb 0.00 -3.46 -0.02 0.00 0.80 0.00 0.00 33.01 30.33 1k3j s GLN 114 CO 0.00 -0.26 1.44 0.21 -0.50 0.00 0.00 175.29 176.18 1k3j s LYS 115 N 1.64 3.99 0.44 1.67 2.47 -1.26 -0.34 119.74 128.35 1k3j s LYS 115 Ca 0.06 1.62 -0.01 0.00 -1.56 0.00 0.00 55.97 56.08 1k3j s LYS 115 Cb -0.16 -3.92 -0.01 0.00 -1.46 0.00 0.00 37.83 32.28 1k3j s LYS 115 CO 0.06 -1.03 0.67 0.14 0.16 0.00 0.00 175.35 175.34 1k3j s VAL 116 N 4.38 4.36 0.09 4.02 -7.23 -1.12 -4.96 120.40 119.93 1k3j s VAL 116 Ca 0.63 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 60.11 1k3j s VAL 116 Cb -0.23 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.02 1k3j s VAL 116 CO 0.24 -0.46 1.38 -0.70 -0.31 0.00 0.00 175.10 175.25 1k3j s GLU 117 N -4.54 4.32 1.02 4.82 2.56 -1.26 -4.63 118.70 120.99 1k3j s GLU 117 Ca 0.46 2.03 -0.14 0.00 0.00 0.00 0.00 54.97 57.33 1k3j s GLU 117 Cb -0.10 -3.33 0.12 0.00 2.00 0.00 0.00 34.13 32.82 1k3j s GLU 117 CO 0.39 -0.45 0.58 1.17 -0.56 0.00 0.00 175.26 176.39 1k3j n LYS 118 N 4.27 -1.03 -2.87 4.30 4.81 -1.26 -2.30 118.16 124.07 1k3j n LYS 118 Ca 0.12 -0.26 -0.15 0.00 -0.87 0.00 0.00 58.31 57.15 1k3j n LYS 118 Cb 0.43 -1.99 -0.03 0.00 0.02 0.00 0.00 35.03 33.46 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 -2.71 -1.08 -4.56 3.14 3.02 0.58 -4.86 115.26 108.80 1k3j n ASN 119 Ca 0.06 -0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 54.10 1k3j n ASN 119 Cb 0.55 -1.00 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1k3j s SER 120 N -2.10 4.42 -0.11 6.41 1.04 -0.97 -4.92 113.70 117.46 1k3j s SER 120 Ca 0.28 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 1k3j s SER 120 Cb -0.17 -0.98 -0.05 0.00 0.10 0.00 0.00 66.02 64.93 1k3j s SER 120 CO 0.35 0.29 0.37 0.20 0.98 0.00 0.00 173.24 175.43 1k3j s ASN 121 N -1.30 6.59 0.09 7.02 0.01 -1.26 -3.71 114.94 122.38 1k3j s ASN 121 Ca 0.16 0.70 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 1k3j s ASN 121 Cb -0.11 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 1k3j s ASN 121 CO 0.06 0.12 -0.16 -1.10 -1.51 0.00 0.00 177.10 174.51 1k3j s GLN 122 N 0.18 0.94 0.05 -0.60 -1.52 -0.78 -4.90 119.66 113.03 1k3j s GLN 122 Ca 0.21 -1.08 -0.31 0.00 -1.95 0.00 0.00 55.36 52.24 1k3j s GLN 122 Cb -0.14 -0.97 -0.06 0.00 -0.22 0.00 0.00 33.01 31.61 1k3j s GLN 122 CO 0.08 0.21 1.28 -1.17 -0.25 0.00 0.00 175.29 175.44 1k3j s LEU 123 N -1.97 4.35 0.79 2.90 2.96 -1.26 -0.92 118.68 125.53 1k3j s LEU 123 Ca 0.03 2.08 -0.14 0.00 -0.22 0.00 0.00 54.13 55.87 1k3j s LEU 123 Cb -0.09 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.08 1k3j s LEU 123 CO 0.03 -0.57 1.01 -0.11 -1.32 0.00 0.00 176.35 175.39 1k3j n LEU 124 N 4.34 3.47 -4.32 -0.68 7.94 0.63 -4.87 117.00 123.52 1k3j n LEU 124 Ca 0.10 0.59 -0.23 0.00 -1.11 0.00 0.00 56.01 55.36 1k3j n LEU 124 Cb 0.45 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 42.85 1k3j n LEU 124 CO 0.57 -2.07 -0.50 -0.94 -1.11 0.00 0.00 177.39 173.33 1k3j s SER 125 N -1.92 2.67 -0.14 1.96 1.04 -1.26 -4.88 113.70 111.17 1k3j s SER 125 Ca 0.71 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 1k3j s SER 125 Cb -0.30 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1k3j s SER 125 CO 0.53 0.01 1.44 -1.10 0.98 0.00 0.00 173.24 175.10 1k3j s GLN 126 N -2.42 4.15 -1.89 4.02 -1.52 -1.26 -2.53 119.66 118.21 1k3j s GLN 126 Ca 0.12 1.81 0.00 0.00 -1.95 0.00 0.00 55.36 55.34 1k3j s GLN 126 Cb -0.08 -3.88 0.00 0.00 -0.22 0.00 0.00 33.01 28.84 1k3j s GLN 126 CO 0.06 -0.84 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 1k3j n GLY 127 N 3.94 0.79 3.28 3.09 0.00 -1.08 -4.95 105.19 110.28 1k3j n GLY 127 Ca 0.16 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.44 -2.36 -3.78 1.61 2.03 -1.05 -4.47 116.55 107.09 1k3j n ASP 128 Ca -0.21 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.81 1k3j n ASP 128 Cb 0.66 -0.97 -0.13 0.00 -0.72 0.00 0.00 41.12 39.96 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 -3.56 0.19 -0.16 -0.67 2.02 -1.26 0.44 118.70 115.71 1k3j s GLU 129 Ca 0.57 0.35 -0.02 0.00 0.02 0.00 0.00 54.97 55.88 1k3j s GLU 129 Cb -0.13 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.08 1k3j s GLU 129 CO 0.65 -0.09 -0.08 0.42 0.02 0.00 0.00 175.26 176.19 1k3j s ILE 130 N 0.59 3.45 -0.09 -1.63 1.01 0.29 -2.48 121.20 122.34 1k3j s ILE 130 Ca -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1k3j s ILE 130 Cb -0.06 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1k3j s ILE 130 CO -0.03 0.49 0.06 -0.89 0.00 0.00 0.00 174.94 174.57 1k3j s THR 131 N 0.57 4.77 0.05 2.92 2.01 0.35 0.32 115.64 126.63 1k3j s THR 131 Ca -0.05 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1k3j s THR 131 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1k3j s THR 131 CO 0.03 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 1k3j s VAL 132 N -0.96 0.20 -0.04 3.82 -7.23 0.24 0.13 120.40 116.57 1k3j s VAL 132 Ca 0.15 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1k3j s VAL 132 Cb -0.12 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1k3j s VAL 132 CO 0.04 -0.92 0.03 0.61 -0.31 0.00 0.00 175.10 174.55 1k3j n GLY 133 N 0.29 0.73 3.77 2.32 0.00 -1.26 0.13 105.19 111.17 1k3j n GLY 133 Ca -0.15 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.01 4.30 0.00 1.61 1.01 -1.26 -2.71 120.40 120.34 1k3j s VAL 134 Ca 0.01 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1k3j s VAL 134 Cb -0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1k3j s VAL 134 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1k3j n GLY 135 N 1.47 3.67 3.03 4.51 0.00 -1.26 -5.02 105.19 111.58 1k3j n GLY 135 Ca -0.04 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 1.38 0.52 1.61 1.01 -1.26 -5.01 120.40 118.65 1k3j s VAL 136 Ca 0.00 -0.56 0.31 0.00 0.00 0.00 0.00 61.98 61.73 1k3j s VAL 136 Cb 0.00 -1.28 0.49 0.00 0.00 0.00 0.00 36.38 35.59 1k3j s VAL 136 CO 0.00 0.42 1.86 -0.08 0.00 0.00 0.00 175.10 177.30 1k3j h GLU 137 N 7.51 0.05 -0.33 2.72 4.81 -1.98 0.59 114.58 127.94 1k3j h GLU 137 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1k3j h GLU 137 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1k3j h GLU 137 CO 0.48 0.03 0.00 0.43 -0.73 0.00 0.00 179.01 179.22 1k3j n SER 138 N -4.29 2.48 -0.41 1.04 7.64 -1.26 -4.18 113.62 114.64 1k3j n SER 138 Ca 0.20 -1.88 0.07 0.00 1.01 0.00 0.00 58.87 58.27 1k3j n SER 138 Cb 1.00 -0.22 0.14 0.00 -1.01 0.00 0.00 64.21 64.12 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 1.79 -4.67 6.43 8.00 0.20 -5.03 116.55 124.13 1k3j n ASP 139 Ca 0.17 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 52.14 1k3j n ASP 139 Cb 0.43 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.50 4.29 -0.05 0.53 1.01 -1.10 -4.33 121.20 119.06 1k3j s ILE 140 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1k3j s ILE 140 Cb 0.29 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1k3j s ILE 140 CO -0.02 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.10 1k3j s LEU 141 N -0.77 1.95 0.11 2.97 0.20 0.35 -4.94 118.68 118.54 1k3j s LEU 141 Ca 0.12 -0.40 0.06 0.00 0.69 0.00 0.00 54.13 54.60 1k3j s LEU 141 Cb -0.11 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 1k3j s LEU 141 CO 0.02 0.17 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.65 1k3j s SER 142 N 0.06 4.68 0.04 3.68 0.15 -1.26 0.83 113.70 121.88 1k3j s SER 142 Ca -0.06 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.30 1k3j s SER 142 Cb -0.13 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1k3j s SER 142 CO 0.03 0.16 -0.08 -0.76 1.20 0.00 0.00 173.24 173.80 1k3j s LEU 143 N -2.35 2.24 -0.02 3.45 2.01 0.15 -3.57 118.68 120.58 1k3j s LEU 143 Ca 0.24 -0.51 0.07 0.00 0.01 0.00 0.00 54.13 53.94 1k3j s LEU 143 Cb -0.11 -0.20 -0.02 0.00 0.01 0.00 0.00 46.19 45.87 1k3j s LEU 143 CO 0.16 -0.17 -0.24 -0.69 1.01 0.00 0.00 176.35 176.42 1k3j s VAL 144 N -1.26 2.26 -0.24 -1.59 1.01 0.38 0.10 120.40 121.05 1k3j s VAL 144 Ca -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 1k3j s VAL 144 Cb -0.09 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1k3j s VAL 144 CO 0.00 0.58 0.06 -0.63 0.00 0.00 0.00 175.10 175.11 1k3j s ILE 145 N -0.64 4.29 -0.25 2.22 1.01 0.17 0.79 121.20 128.79 1k3j s ILE 145 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 1k3j s ILE 145 Cb -0.10 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1k3j s ILE 145 CO -0.01 0.35 0.04 0.12 0.00 0.00 0.00 174.94 175.44 1k3j s PHE 146 N 1.50 3.06 0.03 3.97 5.36 0.36 -2.63 117.98 129.63 1k3j s PHE 146 Ca 0.06 -0.77 -0.25 0.00 -0.96 0.00 0.00 56.93 55.01 1k3j s PHE 146 Cb -0.15 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1k3j s PHE 146 CO 0.03 -0.49 0.76 0.42 -1.46 0.00 0.00 175.22 174.48 1k3j s ILE 147 N 1.53 4.77 -0.34 3.12 1.01 -1.26 0.11 121.20 130.15 1k3j s ILE 147 Ca 0.05 1.61 -0.28 0.00 0.00 0.00 0.00 60.65 62.03 1k3j s ILE 147 Cb -0.15 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1k3j s ILE 147 CO 0.01 0.35 1.01 0.20 0.00 0.00 0.00 174.94 176.51 1k3j s ASN 148 N 0.05 6.82 0.40 3.58 -0.87 -1.18 -4.91 114.94 118.82 1k3j s ASN 148 Ca 0.38 0.86 0.10 0.00 -1.57 0.00 0.00 52.86 52.64 1k3j s ASN 148 Cb -0.20 -2.51 0.84 0.00 -0.02 0.00 0.00 41.25 39.36 1k3j s ASN 148 CO 0.22 -0.86 1.95 -0.78 -2.57 0.00 0.00 177.10 175.06 1k3j h ASP 149 N 8.24 0.20 -0.39 -1.22 3.58 -1.94 -2.72 116.42 122.17 1k3j h ASP 149 Ca -0.22 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1k3j h ASP 149 Cb 1.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1k3j h ASP 149 CO 1.01 0.33 0.26 0.50 -2.88 0.00 0.00 179.24 178.46 1k3j h LYS 150 N 0.21 0.52 -0.62 0.28 3.64 -1.93 -1.19 116.57 117.48 1k3j h LYS 150 Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1k3j h LYS 150 Cb 0.32 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1k3j h LYS 150 CO 0.02 0.35 0.39 0.35 -2.27 0.00 0.00 179.45 178.29 1k3j h PHE 151 N 0.53 0.73 -0.60 1.91 3.57 -1.70 -2.17 116.94 119.21 1k3j h PHE 151 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1k3j h PHE 151 Cb -0.05 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 1k3j h PHE 151 CO -0.05 0.42 0.16 0.87 -2.23 0.00 0.00 178.31 177.49 1k3j h LYS 152 N 0.77 0.92 -0.92 1.11 1.57 -1.36 -2.39 116.57 116.26 1k3j h LYS 152 Ca 0.25 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1k3j h LYS 152 Cb 0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1k3j h LYS 152 CO -0.09 0.81 0.61 1.96 -0.57 0.00 0.00 179.45 182.16 1k3j h GLN 153 N 0.88 1.19 -0.30 3.15 4.20 -0.60 0.17 115.11 123.81 1k3j h GLN 153 Ca 0.19 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1k3j h GLN 153 Cb 0.29 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1k3j h GLN 153 CO -0.00 0.79 -0.10 0.00 -0.67 0.00 0.00 178.83 178.84 1k3j h LEU 155 N 0.35 1.05 -0.55 0.00 7.12 -1.08 0.83 115.31 123.04 1k3j h LEU 155 Ca 0.07 -0.29 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 1k3j h LEU 155 Cb 0.60 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 1k3j h LEU 155 CO 0.04 1.09 0.31 -0.33 -0.13 0.00 0.00 178.44 179.42 1k3j h GLU 156 N 0.99 0.76 0.18 1.25 5.08 -0.61 -3.02 114.58 119.21 1k3j h GLU 156 Ca 0.18 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 1k3j h GLU 156 Cb 0.53 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.64 1k3j h GLU 156 CO 0.03 0.57 -1.38 0.37 -1.00 0.00 0.00 179.01 177.59 1k3j h GLN 157 N 0.74 0.38 -5.93 2.33 5.75 -1.27 -3.47 115.11 113.63 1k3j h GLN 157 Ca 0.19 -0.64 -0.33 0.00 -0.15 0.00 0.00 58.65 57.72 1k3j h GLN 157 Cb 0.02 0.24 -0.17 0.00 1.07 0.00 0.00 27.48 28.64 1k3j h GLN 157 CO -0.03 1.30 -0.48 0.27 -2.65 0.00 0.00 178.83 177.24 1k3j n ASN 158 N -3.59 -1.96 -4.31 -0.69 0.23 0.29 -4.90 115.26 100.32 1k3j n ASN 158 Ca -0.13 -0.37 -0.35 0.00 -0.53 0.00 0.00 54.58 53.20 1k3j n ASN 158 Cb 1.06 -1.72 -0.14 0.00 -2.08 0.00 0.00 39.78 36.90 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1k3j s LYS 159 N -6.09 3.38 -0.13 -3.83 1.02 -1.26 -5.08 119.74 107.75 1k3j s LYS 159 Ca 0.41 -0.62 -0.21 0.00 0.02 0.00 0.00 55.97 55.57 1k3j s LYS 159 Cb -0.24 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1k3j s LYS 159 CO 0.50 -0.18 0.60 0.14 -0.92 0.00 0.00 175.35 175.49 1k3j s VAL 160 N 1.43 5.09 -1.18 3.17 -7.23 -1.26 -5.00 120.40 115.42 1k3j s VAL 160 Ca 0.05 1.18 -0.07 0.00 -1.81 0.00 0.00 61.98 61.33 1k3j s VAL 160 Cb -0.14 -3.93 0.24 0.00 0.56 0.00 0.00 36.38 33.11 1k3j s VAL 160 CO -0.03 0.23 1.66 0.47 -0.31 0.00 0.00 175.10 177.12 1k3j n ASP 161 N 4.18 5.73 -3.60 4.85 9.92 -1.26 -4.88 116.55 131.49 1k3j n ASP 161 Ca -0.03 -3.25 -0.29 0.00 -0.53 0.00 0.00 54.79 50.69 1k3j n ASP 161 Cb 0.51 -1.38 -0.15 0.00 -0.64 0.00 0.00 41.12 39.46 1k3j n ASP 161 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1k3j s ARG 162 N -1.11 0.43 0.22 -1.24 3.52 -1.26 -5.13 118.95 114.39 1k3j s ARG 162 Ca 0.35 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1k3j s ARG 162 Cb 0.06 -1.48 -0.08 0.00 -1.56 0.00 0.00 34.95 31.89 1k3j s ARG 162 CO 0.05 -1.03 1.04 0.96 -0.81 0.00 0.00 175.30 175.51 1k3j s ILE 163 N 1.77 3.87 0.00 4.11 -0.00 -1.26 -5.31 121.20 124.38 1k3j s ILE 163 Ca 0.11 1.75 0.00 0.00 -0.00 0.00 0.00 60.65 62.51 1k3j s ILE 163 Cb -0.17 -4.12 0.00 0.00 -0.00 0.00 0.00 42.46 38.17 1k3j s ILE 163 CO -0.28 0.37 0.00 0.54 -0.00 0.00 0.00 174.94 175.57