#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 -0.17 0.00 -2.24 -1.26 -4.93 114.28 105.68 1k3j n THR 15 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1k3j n THR 15 Cb 0.00 -0.01 0.22 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.90 -0.63 -0.78 -0.00 -2.07 -2.56 115.11 109.98 1k3j h GLN 16 Ca 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1k3j h GLN 16 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 27.28 1k3j h GLN 16 CO 0.00 0.70 0.36 -0.09 0.00 0.00 0.00 178.83 179.80 1k3j h ARG 17 N 0.90 0.87 -0.90 1.69 9.65 -2.01 -2.38 114.38 122.21 1k3j h ARG 17 Ca 0.22 -0.09 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 1k3j h ARG 17 Cb 0.09 -0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 1k3j h ARG 17 CO -0.03 0.65 0.58 0.74 2.80 0.00 0.00 179.97 184.71 1k3j h PHE 18 N 0.86 1.03 -0.27 2.20 0.04 -1.82 -0.34 116.94 118.64 1k3j h PHE 18 Ca 0.22 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.05 1k3j h PHE 18 Cb 0.02 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 1k3j h PHE 18 CO -0.01 0.54 0.18 1.25 -0.60 0.00 0.00 178.31 179.67 1k3j h LEU 19 N 1.01 0.21 -0.44 1.54 6.46 -1.28 -1.28 115.31 121.53 1k3j h LEU 19 Ca 0.39 -0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.97 1k3j h LEU 19 Cb 0.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1k3j h LEU 19 CO -0.14 0.14 -0.67 0.40 -0.62 0.00 0.00 178.44 177.55 1k3j h ILE 20 N 0.24 1.35 -1.00 4.05 2.04 -0.98 -3.12 117.51 120.09 1k3j h ILE 20 Ca 0.11 -2.01 0.06 0.00 1.00 0.00 0.00 64.86 64.02 1k3j h ILE 20 Cb 0.14 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1k3j h ILE 20 CO -0.02 0.61 0.65 -0.08 0.00 0.00 0.00 178.15 179.31 1k3j h GLU 21 N 0.33 1.14 0.00 2.37 4.81 -0.94 0.78 114.58 123.08 1k3j h GLU 21 Ca -0.02 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1k3j h GLU 21 Cb 1.23 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1k3j h GLU 21 CO 0.12 0.75 -0.14 0.87 -0.73 0.00 0.00 179.01 179.89 1k3j h LYS 22 N 1.17 0.00 -0.39 1.92 1.57 -1.47 -2.90 116.57 116.47 1k3j h LYS 22 Ca 0.43 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1k3j h LYS 22 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1k3j h LYS 22 CO -0.17 0.14 0.14 0.35 -0.57 0.00 0.00 179.45 179.34 1k3j h PHE 23 N 0.00 0.25 0.00 -1.35 3.57 -0.82 -2.33 116.94 116.26 1k3j h PHE 23 Ca -0.00 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 1k3j h PHE 23 Cb 0.46 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1k3j h PHE 23 CO 0.00 0.10 -0.85 0.77 -2.23 0.00 0.00 178.31 176.10 1k3j h SER 24 N 0.30 0.08 -1.21 0.41 0.02 -1.56 -3.39 113.55 108.20 1k3j h SER 24 Ca 0.18 -0.07 -0.64 0.00 -0.84 0.00 0.00 61.79 60.42 1k3j h SER 24 Cb 0.15 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.56 1k3j h SER 24 CO -0.18 0.90 1.64 -1.58 -1.14 0.00 0.00 176.83 176.47 1k3j s GLN 25 N -3.12 3.73 0.23 3.45 0.74 -0.88 -4.98 119.66 118.84 1k3j s GLN 25 Ca -0.01 -1.51 -0.04 0.00 0.05 0.00 0.00 55.36 53.85 1k3j s GLN 25 Cb 0.11 -5.36 -0.05 0.00 1.10 0.00 0.00 33.01 28.81 1k3j s GLN 25 CO 0.81 -2.16 0.47 -2.00 -0.55 0.00 0.00 175.29 171.86 1k3j s GLU 26 N 4.38 3.61 -0.02 1.67 2.12 -1.26 -4.84 118.70 124.36 1k3j s GLU 26 Ca 0.47 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 1k3j s GLU 26 Cb 0.01 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1k3j s GLU 26 CO -0.04 0.32 1.15 -0.65 -0.54 0.00 0.00 175.26 175.50 1k3j s GLN 27 N -3.27 4.41 0.15 4.30 1.11 -1.26 -5.01 119.66 120.10 1k3j s GLN 27 Ca 0.42 1.64 -0.26 0.00 0.01 0.00 0.00 55.36 57.17 1k3j s GLN 27 Cb -0.11 -3.48 -0.07 0.00 -1.01 0.00 0.00 33.01 28.34 1k3j s GLN 27 CO 0.28 -0.32 0.82 0.42 0.01 0.00 0.00 175.29 176.50 1k3j s ILE 28 N 1.66 4.41 -0.93 1.08 -1.09 -1.26 -4.94 121.20 120.13 1k3j s ILE 28 Ca 0.55 1.79 -0.11 0.00 -2.23 0.00 0.00 60.65 60.65 1k3j s ILE 28 Cb -0.25 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.36 1k3j s ILE 28 CO 0.25 0.47 2.10 0.61 -1.23 0.00 0.00 174.94 177.13 1k3j n GLY 29 N 1.80 3.06 0.16 6.18 0.00 -1.26 -4.48 105.19 110.65 1k3j n GLY 29 Ca -0.04 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 6.74 0.00 0.00 1.61 5.08 -2.00 -3.42 114.58 122.59 1k3j h GLU 30 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1k3j h GLU 30 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1k3j h GLU 30 CO 1.65 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 180.13 1k3j n ASN 31 N -3.22 0.00 -4.44 1.42 3.02 -1.26 -4.93 115.26 105.85 1k3j n ASN 31 Ca 0.02 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1k3j n ASN 31 Cb 0.67 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k3j s ILE 32 N 0.00 4.54 0.04 2.41 -1.09 -1.26 -0.63 121.20 125.21 1k3j s ILE 32 Ca 0.00 -0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 1k3j s ILE 32 Cb 0.00 -4.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.12 1k3j s ILE 32 CO 0.00 -1.42 1.24 0.58 -1.23 0.00 0.00 174.94 174.11 1k3j h VAL 33 N 5.91 0.00 -3.96 2.92 2.07 -1.78 -3.39 116.25 118.01 1k3j h VAL 33 Ca -0.14 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1k3j h VAL 33 Cb 1.06 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.70 1k3j h VAL 33 CO 1.14 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 178.36 1k3j s ARG 35 N -3.98 1.51 -0.23 0.00 3.52 0.15 -1.41 118.95 118.52 1k3j s ARG 35 Ca 0.18 -0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 55.28 1k3j s ARG 35 Cb 0.04 -1.34 -0.03 0.00 -1.56 0.00 0.00 34.95 32.06 1k3j s ARG 35 CO -0.00 -0.04 0.45 0.14 -0.81 0.00 0.00 175.30 175.04 1k3j s VAL 36 N 0.89 5.14 -0.16 7.11 -7.23 -1.05 0.10 120.40 125.20 1k3j s VAL 36 Ca -0.11 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 1k3j s VAL 36 Cb -0.15 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 33.05 1k3j s VAL 36 CO 0.01 0.18 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.24 1k3j s ILE 37 N 1.77 1.47 -0.27 -0.62 1.01 0.35 -2.27 121.20 122.64 1k3j s ILE 37 Ca 0.20 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1k3j s ILE 37 Cb -0.15 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1k3j s ILE 37 CO 0.09 0.30 1.07 0.00 0.00 0.00 0.00 174.94 176.40 1k3j h THR 39 N 5.59 1.00 0.00 0.00 1.35 -1.90 -3.23 112.91 115.72 1k3j h THR 39 Ca -0.20 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1k3j h THR 39 Cb 1.06 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1k3j h THR 39 CO 1.01 0.57 0.00 0.35 -0.25 0.00 0.00 175.52 177.19 1k3j n THR 40 N -3.19 0.00 -3.37 6.82 -2.24 -1.25 -4.91 114.28 106.13 1k3j n THR 40 Ca -0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1k3j n THR 40 Cb 0.81 -0.50 0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.34 0.03 3.38 0.00 -1.22 -4.93 105.19 103.22 1k3j n GLY 41 Ca 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.10 2.94 -4.66 1.61 1.13 -1.26 -5.02 117.38 108.02 1k3j n GLN 42 Ca -0.20 -0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.63 1k3j n GLN 42 Cb 0.63 -1.16 -0.15 0.00 0.11 0.00 0.00 30.24 29.67 1k3j n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k3j s ILE 43 N -2.16 1.23 0.19 5.09 1.01 -1.26 -4.04 121.20 121.26 1k3j s ILE 43 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1k3j s ILE 43 Cb 0.02 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 1k3j s ILE 43 CO 0.26 0.28 1.28 -2.16 0.00 0.00 0.00 174.94 174.60 1k3j s PRO 44 N -0.54 4.41 0.16 2.79 0.04 -1.26 -4.30 135.00 136.30 1k3j s PRO 44 Ca 0.05 2.00 -0.34 0.00 0.04 0.00 0.00 61.00 62.76 1k3j s PRO 44 Cb -0.06 -3.21 -0.14 0.00 0.04 0.00 0.00 34.50 31.13 1k3j s PRO 44 CO -0.00 -0.22 1.57 -0.89 0.04 0.00 0.00 177.00 177.50 1k3j n ILE 45 N 2.65 0.00 -4.51 0.56 5.41 -1.26 -4.89 119.36 117.33 1k3j n ILE 45 Ca 0.06 -0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.55 1k3j n ILE 45 Cb 0.43 -1.52 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 1k3j n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1k3j s ARG 46 N 0.89 1.79 -0.20 0.38 6.06 -0.96 -5.04 118.95 121.87 1k3j s ARG 46 Ca 0.79 -1.88 -0.01 0.00 -2.50 0.00 0.00 55.73 52.14 1k3j s ARG 46 Cb -0.69 -1.74 0.01 0.00 0.06 0.00 0.00 34.95 32.60 1k3j s ARG 46 CO 0.38 0.20 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.73 1k3j s ASP 47 N -3.58 3.56 -0.13 -2.12 1.11 -1.26 -2.53 116.67 111.71 1k3j s ASP 47 Ca 0.32 -0.58 -0.10 0.00 0.18 0.00 0.00 52.55 52.37 1k3j s ASP 47 Cb 0.00 -1.57 -0.05 0.00 1.07 0.00 0.00 42.92 42.37 1k3j s ASP 47 CO 0.16 -0.01 0.20 -0.76 1.18 0.00 0.00 175.17 175.94 1k3j s LEU 48 N 1.35 4.34 0.07 1.23 1.43 -0.50 -5.02 118.68 121.59 1k3j s LEU 48 Ca 0.05 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1k3j s LEU 48 Cb -0.14 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1k3j s LEU 48 CO -0.10 0.30 0.25 -0.94 0.23 0.00 0.00 176.35 176.09 1k3j s SER 49 N -0.48 -0.01 -0.04 2.29 1.04 -1.26 -2.69 113.70 112.55 1k3j s SER 49 Ca 0.15 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1k3j s SER 49 Cb -0.13 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1k3j s SER 49 CO 0.04 -0.69 0.14 0.00 0.98 0.00 0.00 173.24 173.71 1k3j s ALA 50 N -3.29 -0.35 0.09 5.32 0.00 0.20 -4.81 121.76 118.93 1k3j s ALA 50 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 1k3j s ALA 50 Cb 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 1k3j s ALA 50 CO -0.08 -0.10 1.02 -0.51 0.00 0.00 0.00 175.76 176.10 1k3j s ASP 51 N -0.22 7.37 0.20 0.00 1.11 -1.26 -4.58 116.67 119.30 1k3j s ASP 51 Ca -0.03 1.85 -0.09 0.00 0.18 0.00 0.00 52.55 54.47 1k3j s ASP 51 Cb -0.02 -2.59 0.12 0.00 1.07 0.00 0.00 42.92 41.50 1k3j s ASP 51 CO 0.00 -0.19 1.74 0.40 1.18 0.00 0.00 175.17 178.30 1k3j h ILE 52 N 4.20 1.26 -0.92 0.77 2.04 -1.91 -2.72 117.51 120.23 1k3j h ILE 52 Ca -0.43 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 64.61 1k3j h ILE 52 Cb 1.21 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1k3j h ILE 52 CO 0.74 0.35 0.58 -1.28 0.00 0.00 0.00 178.15 178.54 1k3j h SER 53 N 1.08 0.90 -0.44 1.72 0.87 -1.99 0.16 113.55 115.85 1k3j h SER 53 Ca 0.24 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1k3j h SER 53 Cb 0.30 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1k3j h SER 53 CO -0.01 0.56 -0.26 1.56 -0.53 0.00 0.00 176.83 178.15 1k3j h GLN 54 N 1.02 0.96 -0.50 2.24 4.20 -1.93 -0.89 115.11 120.22 1k3j h GLN 54 Ca 0.41 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1k3j h GLN 54 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1k3j h GLN 54 CO -0.19 1.10 -0.02 0.28 -0.67 0.00 0.00 178.83 179.32 1k3j h VAL 55 N 0.82 1.27 -0.14 -0.54 2.07 -0.99 0.22 116.25 118.95 1k3j h VAL 55 Ca 0.10 -1.12 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 1k3j h VAL 55 Cb 0.83 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1k3j h VAL 55 CO 0.07 0.39 -0.54 -0.07 0.02 0.00 0.00 177.57 177.45 1k3j h LEU 56 N 0.76 0.45 -0.01 2.57 -0.00 -0.67 -3.26 115.31 115.15 1k3j h LEU 56 Ca 0.14 -0.24 -0.06 0.00 -0.00 0.00 0.00 57.88 57.72 1k3j h LEU 56 Cb 0.55 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1k3j h LEU 56 CO 0.03 0.90 -0.24 0.11 -0.00 0.00 0.00 178.44 179.24 1k3j h LYS 57 N 0.32 0.18 -6.37 1.13 1.57 -1.01 -3.43 116.57 108.95 1k3j h LYS 57 Ca 0.01 -0.18 -0.57 0.00 -1.87 0.00 0.00 60.65 58.03 1k3j h LYS 57 Cb 1.04 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 1k3j h LYS 57 CO 0.09 0.91 0.86 -2.00 -0.57 0.00 0.00 179.45 178.74 1k3j s GLU 58 N -3.19 4.01 -0.22 3.15 2.56 0.77 -4.89 118.70 120.88 1k3j s GLU 58 Ca -0.16 1.00 0.11 0.00 0.00 0.00 0.00 54.97 55.92 1k3j s GLU 58 Cb 0.01 -3.77 0.43 0.00 2.00 0.00 0.00 34.13 32.81 1k3j s GLU 58 CO 0.74 -0.98 1.25 1.63 -0.56 0.00 0.00 175.26 177.34 1k3j n LYS 59 N 7.03 1.62 -0.95 4.30 4.76 -1.26 -4.67 118.16 128.99 1k3j n LYS 59 Ca 0.12 -3.30 -0.09 0.00 -2.87 0.00 0.00 58.31 52.17 1k3j n LYS 59 Cb 0.47 -1.65 0.22 0.00 -1.84 0.00 0.00 35.03 32.24 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k3j n ARG 60 N -1.12 2.52 -1.47 1.97 1.74 -1.26 -5.05 116.66 113.99 1k3j n ARG 60 Ca 0.21 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 1k3j n ARG 60 Cb 0.74 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.84 -8.02 -2.35 0.55 7.64 -1.26 -4.99 113.62 104.35 1k3j n SER 61 Ca 0.42 1.26 -0.05 0.00 1.01 0.00 0.00 58.87 61.51 1k3j n SER 61 Cb 1.30 -4.43 -0.04 0.00 -1.01 0.00 0.00 64.21 60.03 1k3j n SER 61 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1k3j n ILE 62 N -1.19-10.83 -0.09 0.44 2.08 -1.26 -4.93 119.36 103.58 1k3j n ILE 62 Ca 0.00 2.21 -0.10 0.00 0.56 0.00 0.00 62.75 65.42 1k3j n ILE 62 Cb 0.08 -5.91 -0.04 0.00 -0.75 0.00 0.00 39.64 33.02 1k3j n ILE 62 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1k3j n LYS 63 N 1.34 0.50 -3.80 0.38 4.76 0.16 -4.95 118.16 116.56 1k3j n LYS 63 Ca -0.34 0.40 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 1k3j n LYS 63 Cb 0.53 -1.59 -0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k3j s LYS 64 N -2.51 -0.01 -0.02 1.97 2.20 -1.15 -5.01 119.74 115.22 1k3j s LYS 64 Ca -0.23 0.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 1k3j s LYS 64 Cb 0.04 -0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.12 1k3j s LYS 64 CO 0.36 -0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 175.10 1k3j s VAL 65 N 0.91 1.49 -0.12 4.02 1.01 -1.26 -1.28 120.40 125.18 1k3j s VAL 65 Ca -0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1k3j s VAL 65 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1k3j s VAL 65 CO -0.02 0.42 0.10 0.26 0.00 0.00 0.00 175.10 175.86 1k3j s TRP 66 N -0.35 3.47 -0.16 5.22 0.51 0.50 -4.89 118.94 123.24 1k3j s TRP 66 Ca 0.05 0.42 -0.01 0.00 -2.12 0.00 0.00 56.10 54.44 1k3j s TRP 66 Cb -0.08 -1.91 -0.01 0.00 -0.81 0.00 0.00 33.47 30.66 1k3j s TRP 66 CO -0.00 0.63 -0.12 0.99 -0.51 0.00 0.00 176.95 177.94 1k3j s THR 67 N -0.90 2.97 0.05 2.01 2.01 -1.26 0.15 115.64 120.67 1k3j s THR 67 Ca 0.14 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1k3j s THR 67 Cb -0.12 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1k3j s THR 67 CO 0.03 0.50 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.91 1k3j s PHE 68 N 0.72 2.51 -3.71 4.92 0.40 0.49 0.15 117.98 123.47 1k3j s PHE 68 Ca -0.06 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1k3j s PHE 68 Cb -0.15 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1k3j s PHE 68 CO 0.02 0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.58 1k3j n GLY 69 N 1.55 -2.12 0.00 4.36 0.00 -1.06 0.16 105.19 108.08 1k3j n GLY 69 Ca -0.16 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.51 0.44 -2.99 1.61 0.63 -0.07 -2.59 116.66 113.18 1k3j n ARG 70 Ca 0.00 0.06 -0.40 0.00 -0.92 0.00 0.00 57.85 56.59 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 -2.30 7.22 0.11 6.15 2.47 -0.17 -4.78 114.94 123.64 1k3j s ASN 71 Ca 0.24 1.46 0.16 0.00 0.42 0.00 0.00 52.86 55.13 1k3j s ASN 71 Cb 0.13 -2.47 0.68 0.00 -1.45 0.00 0.00 41.25 38.15 1k3j s ASN 71 CO 0.27 0.03 1.49 -2.65 -3.72 0.00 0.00 177.10 172.52 1k3j n PRO 72 N 2.70 0.07 0.03 0.43 -0.02 -1.26 -2.19 135.00 134.76 1k3j n PRO 72 Ca -0.03 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1k3j n PRO 72 Cb 0.50 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.01 -1.38 3.55 0.00 -1.92 -3.47 119.26 118.37 1k3j h ALA 73 Ca 0.00 -0.85 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 1k3j h ALA 73 Cb 0.22 0.25 0.13 0.00 0.00 0.00 0.00 17.79 18.39 1k3j h ALA 73 CO 0.00 0.55 -0.56 0.00 0.00 0.00 0.00 179.25 179.24 1k3j h ASP 75 N 0.90 0.00 -3.51 0.00 1.82 0.11 -3.39 116.42 112.35 1k3j h ASP 75 Ca -0.33 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.81 1k3j h ASP 75 Cb 1.43 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 41.11 1k3j h ASP 75 CO 0.54 0.00 -0.81 -0.47 -1.61 0.00 0.00 179.24 176.89 1k3j s TYR 76 N -3.93 1.39 -0.32 0.28 5.04 -0.44 -4.92 117.35 114.45 1k3j s TYR 76 Ca -0.03 -0.48 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 1k3j s TYR 76 Cb 0.09 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.38 1k3j s TYR 76 CO 0.28 -0.24 0.16 -1.58 -1.34 0.00 0.00 175.55 172.83 1k3j s HIS 77 N 0.57 3.18 0.72 4.97 2.46 -1.26 -2.57 115.29 123.36 1k3j s HIS 77 Ca -0.12 -0.58 -0.01 0.00 0.47 0.00 0.00 55.06 54.82 1k3j s HIS 77 Cb -0.15 -2.36 0.12 0.00 -0.13 0.00 0.00 32.58 30.06 1k3j s HIS 77 CO 0.03 -0.46 0.99 -0.51 -2.47 0.00 0.00 174.74 172.32 1k3j s LEU 78 N 1.61 2.98 0.00 8.88 1.43 -1.07 -4.71 118.68 127.81 1k3j s LEU 78 Ca 0.04 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1k3j s LEU 78 Cb -0.17 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1k3j s LEU 78 CO 0.06 -1.84 0.00 0.61 0.23 0.00 0.00 176.35 175.42 1k3j n GLY 79 N -2.83 -2.26 2.65 -3.19 0.00 -1.26 -4.87 105.19 93.43 1k3j n GLY 79 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N 0.00 -1.07 -4.28 1.61 0.23 -1.26 -5.03 115.26 105.46 1k3j n ASN 80 Ca 0.00 -1.57 -0.35 0.00 -0.53 0.00 0.00 54.58 52.12 1k3j n ASN 80 Cb 0.00 0.61 -0.14 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.03 3.36 0.59 1.53 1.09 -1.26 -4.97 121.20 121.56 1k3j s ILE 81 Ca 0.25 -0.76 0.28 0.00 -1.10 0.00 0.00 60.65 59.32 1k3j s ILE 81 Cb 0.21 -2.66 0.36 0.00 -1.06 0.00 0.00 42.46 39.32 1k3j s ILE 81 CO -0.08 0.23 2.05 -1.28 -0.10 0.00 0.00 174.94 175.76 1k3j h SER 82 N 8.11 0.00 0.09 3.58 0.87 -2.00 0.54 113.55 124.73 1k3j h SER 82 Ca -0.35 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1k3j h SER 82 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1k3j h SER 82 CO 0.59 0.00 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.80 1k3j h ARG 83 N 0.00 0.00 -6.17 2.24 9.65 -1.93 -3.42 114.38 114.76 1k3j h ARG 83 Ca 0.12 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.40 1k3j h ARG 83 Cb 0.64 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.15 1k3j h ARG 83 CO -0.00 0.00 -0.57 -0.51 2.80 0.00 0.00 179.97 181.69 1k3j s LEU 84 N -6.27 3.87 0.52 3.80 1.02 0.18 -4.38 118.68 117.42 1k3j s LEU 84 Ca -0.04 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.07 1k3j s LEU 84 Cb 0.13 -2.50 0.02 0.00 0.02 0.00 0.00 46.19 43.86 1k3j s LEU 84 CO 0.43 0.11 0.74 -0.94 0.02 0.00 0.00 176.35 176.71 1k3j s SER 85 N -2.84 5.43 0.16 2.29 1.04 -1.26 -4.82 113.70 113.69 1k3j s SER 85 Ca 0.31 0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.47 1k3j s SER 85 Cb -0.11 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 1k3j s SER 85 CO 0.23 -1.02 1.54 0.78 0.98 0.00 0.00 173.24 175.76 1k3j h ASN 86 N 0.18 -2.00 -3.63 7.02 4.21 -1.93 -2.62 115.58 116.82 1k3j h ASN 86 Ca -0.43 0.31 -0.66 0.00 1.21 0.00 0.00 56.30 56.73 1k3j h ASN 86 Cb 1.29 0.89 -0.39 0.00 -1.12 0.00 0.00 38.32 38.98 1k3j h ASN 86 CO 0.53 -0.28 -0.42 -0.54 -1.29 0.00 0.00 177.43 175.44 1k3j s LYS 87 N -5.59 2.61 0.15 0.81 3.01 -1.26 -0.89 119.74 118.58 1k3j s LYS 87 Ca -0.13 -3.04 -0.16 0.00 -1.01 0.00 0.00 55.97 51.63 1k3j s LYS 87 Cb 0.12 -3.61 0.04 0.00 -1.01 0.00 0.00 37.83 33.36 1k3j s LYS 87 CO 0.63 -1.22 1.79 1.25 0.51 0.00 0.00 175.35 178.31 1k3j h HIS 88 N 6.08 0.42 -3.93 3.18 2.76 0.18 -3.35 115.15 120.50 1k3j h HIS 88 Ca 0.07 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 1k3j h HIS 88 Cb 0.83 -0.13 -0.14 0.00 1.55 0.00 0.00 27.41 29.52 1k3j h HIS 88 CO 0.67 0.24 -0.46 -0.59 -1.30 0.00 0.00 177.93 176.49 1k3j s PHE 89 N -6.16 0.26 -0.00 5.26 -0.71 -0.09 0.16 117.98 116.69 1k3j s PHE 89 Ca -0.13 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.06 1k3j s PHE 89 Cb 0.11 -0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1k3j s PHE 89 CO 0.72 -0.49 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.92 1k3j s GLN 90 N -3.83 0.41 -0.14 1.99 0.74 0.41 0.19 119.66 119.43 1k3j s GLN 90 Ca 0.05 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.25 1k3j s GLN 90 Cb 0.06 -0.38 -0.00 0.00 1.10 0.00 0.00 33.01 33.78 1k3j s GLN 90 CO -0.10 0.10 -0.16 0.42 -0.55 0.00 0.00 175.29 175.00 1k3j s ILE 91 N -0.20 2.64 0.02 -2.34 1.01 0.41 0.17 121.20 122.91 1k3j s ILE 91 Ca 0.01 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1k3j s ILE 91 Cb -0.02 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1k3j s ILE 91 CO -0.00 0.52 -0.11 -1.48 0.00 0.00 0.00 174.94 173.87 1k3j s LEU 92 N 0.64 2.94 -0.12 2.97 2.34 -0.18 0.19 118.68 127.45 1k3j s LEU 92 Ca -0.09 -0.27 0.01 0.00 0.06 0.00 0.00 54.13 53.84 1k3j s LEU 92 Cb -0.16 -1.70 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1k3j s LEU 92 CO 0.03 0.26 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.22 1k3j s LEU 93 N -1.48 1.67 0.00 1.48 2.96 -0.40 -0.42 118.68 122.49 1k3j s LEU 93 Ca 0.16 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1k3j s LEU 93 Cb -0.11 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1k3j s LEU 93 CO 0.07 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 1k3j n GLY 94 N 4.47 1.62 5.12 7.98 0.00 -1.25 0.41 105.19 123.53 1k3j n GLY 94 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1k3j n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3j n GLU 95 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -3.01 120.64 117.40 1k3j n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1k3j n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1k3j n ASP 96 N 1.66 0.00 0.00 1.62 8.00 -1.26 -4.94 116.55 121.62 1k3j n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k3j n ASP 96 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3j n GLY 97 N -0.90 0.28 3.57 0.44 0.00 -1.16 -4.91 105.19 102.51 1k3j n GLY 97 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1k3j n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 98 N -1.34 -0.57 -4.76 1.61 6.94 -1.26 -4.83 115.26 111.03 1k3j n ASN 98 Ca 0.00 0.31 -0.27 0.00 -0.02 0.00 0.00 54.58 54.61 1k3j n ASN 98 Cb 0.00 -1.37 -0.06 0.00 -2.36 0.00 0.00 39.78 35.99 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1k3j s LEU 99 N -5.16 3.68 0.04 -4.53 2.96 -1.26 -3.91 118.68 110.50 1k3j s LEU 99 Ca 0.64 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.44 1k3j s LEU 99 Cb -0.22 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 1k3j s LEU 99 CO 0.61 0.09 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.78 1k3j s LEU 100 N -2.97 2.16 -0.20 -0.68 1.02 0.44 -1.84 118.68 116.61 1k3j s LEU 100 Ca 0.30 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 1k3j s LEU 100 Cb -0.10 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 1k3j s LEU 100 CO 0.22 0.14 -0.07 -0.22 0.02 0.00 0.00 176.35 176.44 1k3j s LEU 101 N -1.14 2.85 -0.23 1.79 2.96 -0.05 -1.01 118.68 123.85 1k3j s LEU 101 Ca 0.06 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1k3j s LEU 101 Cb -0.09 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1k3j s LEU 101 CO 0.02 0.03 -0.10 0.21 -1.32 0.00 0.00 176.35 175.19 1k3j s ASN 102 N 1.17 4.07 0.23 3.68 2.47 0.44 -2.05 114.94 124.96 1k3j s ASN 102 Ca 0.02 -0.88 -0.30 0.00 0.42 0.00 0.00 52.86 52.12 1k3j s ASN 102 Cb -0.14 -1.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.96 1k3j s ASN 102 CO -0.02 -0.10 1.04 1.51 -3.72 0.00 0.00 177.10 175.81 1k3j s ASP 103 N 1.29 7.39 -0.26 -4.21 1.47 -1.25 0.15 116.67 121.25 1k3j s ASP 103 Ca 0.00 2.10 0.19 0.00 1.18 0.00 0.00 52.55 56.03 1k3j s ASP 103 Cb -0.16 -2.61 0.46 0.00 -0.34 0.00 0.00 42.92 40.27 1k3j s ASP 103 CO -0.06 -0.07 1.25 2.30 0.68 0.00 0.00 175.17 179.27 1k3j n ILE 104 N 1.65 0.78 -3.80 2.11 -5.35 -0.53 0.21 119.36 114.43 1k3j n ILE 104 Ca -0.00 -2.15 -0.30 0.00 -0.27 0.00 0.00 62.75 60.02 1k3j n ILE 104 Cb 0.46 1.18 -0.04 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.82 6.41 0.32 7.28 0.01 0.42 -4.18 113.70 121.13 1k3j s SER 105 Ca 0.21 0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.95 1k3j s SER 105 Cb 0.36 -2.01 0.53 0.00 0.21 0.00 0.00 66.02 65.10 1k3j s SER 105 CO -0.07 0.09 1.73 0.74 0.41 0.00 0.00 173.24 176.14 1k3j h THR 106 N 1.96 1.31 0.00 1.44 2.02 -1.87 -3.14 112.91 114.64 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 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1k3j h THR 106 CO 0.73 0.44 -1.79 0.59 0.37 0.00 0.00 175.52 175.87 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 54.58 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 3.16 3.36 7.41 0.00 -1.19 -4.86 105.19 114.33 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 -2.52 2.51 0.09 2.61 2.01 -1.26 -4.37 115.64 114.71 1k3j s THR 109 Ca 0.00 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.16 1k3j s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1k3j s THR 109 CO 0.00 0.58 -0.17 0.26 -0.69 0.00 0.00 174.62 174.60 1k3j s TRP 110 N -0.43 2.57 -0.21 4.92 0.51 0.35 -2.61 118.94 124.04 1k3j s TRP 110 Ca 0.05 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1k3j s TRP 110 Cb -0.12 -1.39 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 1k3j s TRP 110 CO 0.01 0.35 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.54 1k3j s LEU 111 N -1.94 2.43 -1.67 2.99 2.96 0.12 0.12 118.68 123.69 1k3j s LEU 111 Ca 0.17 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 52.98 1k3j s LEU 111 Cb -0.11 -1.26 0.12 0.00 0.50 0.00 0.00 46.19 45.44 1k3j s LEU 111 CO 0.09 -0.16 0.51 0.59 -1.32 0.00 0.00 176.35 176.06 1k3j n ASN 112 N 4.66 -1.52 0.00 3.68 3.02 -1.18 0.91 115.26 124.83 1k3j n ASN 112 Ca -0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1k3j n ASN 112 Cb 0.46 -2.27 0.00 0.00 -0.61 0.00 0.00 39.78 37.36 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 -1.65 2.03 3.47 7.41 0.00 -1.26 -5.01 105.19 110.17 1k3j n GLY 113 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.39 3.61 -0.23 1.61 0.74 0.26 -5.05 119.66 120.21 1k3j s GLN 114 Ca 0.00 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.60 1k3j s GLN 114 Cb 0.00 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.63 1k3j s GLN 114 CO 0.00 -0.26 1.47 0.21 -0.55 0.00 0.00 175.29 176.16 1k3j s LYS 115 N 1.64 3.91 0.62 1.67 2.47 -1.26 0.12 119.74 128.91 1k3j s LYS 115 Ca 0.06 1.55 -0.07 0.00 -1.56 0.00 0.00 55.97 55.95 1k3j s LYS 115 Cb -0.16 -3.95 0.01 0.00 -1.46 0.00 0.00 37.83 32.27 1k3j s LYS 115 CO 0.06 -1.14 0.95 0.14 0.16 0.00 0.00 175.35 175.52 1k3j s VAL 116 N 4.64 3.73 0.01 4.02 -7.23 -1.07 -4.95 120.40 119.54 1k3j s VAL 116 Ca 0.64 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.68 1k3j s VAL 116 Cb -0.22 -3.50 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 1k3j s VAL 116 CO 0.25 -0.56 1.44 -0.70 -0.31 0.00 0.00 175.10 175.23 1k3j s GLU 117 N -5.08 4.27 0.99 4.82 -6.30 -1.26 -4.68 118.70 111.45 1k3j s GLU 117 Ca 0.55 2.02 -0.14 0.00 -2.50 0.00 0.00 54.97 54.90 1k3j s GLU 117 Cb -0.11 -3.58 0.06 0.00 0.00 0.00 0.00 34.13 30.50 1k3j s GLU 117 CO 0.47 -0.60 0.39 1.17 0.02 0.00 0.00 175.26 176.71 1k3j n LYS 118 N 5.44 -0.60 -2.82 4.30 4.81 -1.26 -2.31 118.16 125.72 1k3j n LYS 118 Ca 0.14 -0.14 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1k3j n LYS 118 Cb 0.43 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 1k3j n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1k3j n ASN 119 N -1.66 -1.03 -4.56 3.14 0.23 0.57 -4.85 115.26 107.09 1k3j n ASN 119 Ca 0.06 -0.24 -0.32 0.00 -0.53 0.00 0.00 54.58 53.55 1k3j n ASN 119 Cb 0.55 -0.95 -0.11 0.00 -2.08 0.00 0.00 39.78 37.19 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 -2.04 4.42 -0.09 0.53 0.15 -0.98 -4.91 113.70 110.79 1k3j s SER 120 Ca 0.29 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.49 1k3j s SER 120 Cb -0.17 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 1k3j s SER 120 CO 0.36 0.26 0.63 0.20 1.20 0.00 0.00 173.24 175.89 1k3j s ASN 121 N -1.52 6.89 0.06 5.45 -0.87 -1.26 -3.83 114.94 119.86 1k3j s ASN 121 Ca 0.17 1.06 0.05 0.00 -1.57 0.00 0.00 52.86 52.58 1k3j s ASN 121 Cb -0.11 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1k3j s ASN 121 CO 0.08 -0.08 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.28 1k3j s GLN 122 N 0.77 0.92 0.05 -0.60 -1.52 -0.87 -4.91 119.66 113.50 1k3j s GLN 122 Ca 0.34 -0.88 -0.31 0.00 -1.95 0.00 0.00 55.36 52.56 1k3j s GLN 122 Cb -0.17 -0.96 -0.06 0.00 -0.22 0.00 0.00 33.01 31.60 1k3j s GLN 122 CO 0.15 0.23 1.26 -1.17 -0.25 0.00 0.00 175.29 175.51 1k3j s LEU 123 N -1.46 4.35 0.92 2.90 2.96 -1.26 -0.87 118.68 126.22 1k3j s LEU 123 Ca 0.01 2.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 1k3j s LEU 123 Cb -0.09 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.14 1k3j s LEU 123 CO 0.02 -0.55 0.97 0.00 -1.32 0.00 0.00 176.35 175.47 1k3j n LEU 124 N 4.22 2.54 -4.32 -0.68 -0.00 -0.77 -4.87 117.00 113.13 1k3j n LEU 124 Ca 0.10 0.41 -0.23 0.00 -0.00 0.00 0.00 56.01 56.30 1k3j n LEU 124 Cb 0.45 -1.41 -0.12 0.00 -0.00 0.00 0.00 43.42 42.34 1k3j n LEU 124 CO 0.56 -2.49 -0.50 -0.44 -0.00 0.00 0.00 177.39 174.53 1k3j s SER 125 N -2.44 2.64 -0.19 1.45 0.01 -1.26 -5.00 113.70 108.90 1k3j s SER 125 Ca 0.65 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1k3j s SER 125 Cb -0.23 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1k3j s SER 125 CO 0.60 0.00 1.51 -1.58 0.41 0.00 0.00 173.24 174.17 1k3j s GLN 126 N -2.46 3.96 -1.71 12.44 -0.44 -1.26 -2.25 119.66 127.94 1k3j s GLN 126 Ca 0.12 1.68 0.00 0.00 -2.50 0.00 0.00 55.36 54.67 1k3j s GLN 126 Cb -0.07 -3.95 0.00 0.00 -1.64 0.00 0.00 33.01 27.35 1k3j s GLN 126 CO 0.06 -1.08 0.00 0.41 0.50 0.00 0.00 175.29 175.18 1k3j n GLY 127 N 4.32 0.57 3.26 2.59 0.00 -1.14 -4.95 105.19 109.84 1k3j n GLY 127 Ca 0.17 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.22 -2.47 -3.78 1.61 2.03 -0.95 -4.46 116.55 107.32 1k3j n ASP 128 Ca -0.20 -0.07 -0.13 0.00 0.52 0.00 0.00 54.79 54.91 1k3j n ASP 128 Cb 0.63 -0.93 -0.13 0.00 -0.72 0.00 0.00 41.12 39.98 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 -3.29 0.19 -0.15 -0.67 2.12 -1.26 0.73 118.70 116.37 1k3j s GLU 129 Ca 0.54 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 56.21 1k3j s GLU 129 Cb -0.10 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 1k3j s GLU 129 CO 0.66 -0.09 -0.13 0.42 -0.54 0.00 0.00 175.26 175.58 1k3j s ILE 130 N 0.61 2.93 -0.11 -3.70 1.01 0.35 -3.08 121.20 119.21 1k3j s ILE 130 Ca -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1k3j s ILE 130 Cb -0.06 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1k3j s ILE 130 CO -0.03 0.51 0.05 -0.89 0.00 0.00 0.00 174.94 174.58 1k3j s THR 131 N 0.63 4.70 0.05 2.92 2.01 0.33 0.60 115.64 126.87 1k3j s THR 131 Ca -0.07 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1k3j s THR 131 Cb -0.16 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1k3j s THR 131 CO 0.03 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 1k3j s VAL 132 N -0.73 0.20 0.00 3.82 -7.23 0.28 0.13 120.40 116.88 1k3j s VAL 132 Ca 0.12 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1k3j s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1k3j s VAL 132 CO 0.02 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.37 0.95 3.75 2.32 0.00 -1.26 0.96 105.19 112.28 1k3j n GLY 133 Ca -0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.85 4.02 0.00 1.61 1.01 -1.26 -3.25 120.40 119.67 1k3j s VAL 134 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1k3j s VAL 134 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1k3j s VAL 134 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1k3j n GLY 135 N 1.37 2.41 3.09 4.51 0.00 -1.26 -5.02 105.19 110.28 1k3j n GLY 135 Ca -0.02 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 0.41 1.61 1.01 -1.26 -5.02 120.40 118.53 1k3j s VAL 136 Ca 0.00 -0.64 0.19 0.00 0.00 0.00 0.00 61.98 61.53 1k3j s VAL 136 Cb 0.00 -1.23 0.39 0.00 0.00 0.00 0.00 36.38 35.55 1k3j s VAL 136 CO 0.00 0.41 1.81 -0.08 0.00 0.00 0.00 175.10 177.24 1k3j h GLU 137 N 6.75 0.37 -0.34 2.72 4.81 -1.99 0.30 114.58 127.21 1k3j h GLU 137 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1k3j h GLU 137 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1k3j h GLU 137 CO 0.47 0.25 0.00 0.45 -0.73 0.00 0.00 179.01 179.45 1k3j n SER 138 N -4.55 2.47 -0.50 1.04 2.88 -1.26 -4.18 113.62 109.53 1k3j n SER 138 Ca 0.22 -1.89 0.07 0.00 -1.33 0.00 0.00 58.87 55.95 1k3j n SER 138 Cb 0.81 -0.22 0.17 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.85 1.80 -4.67 -3.46 8.00 0.10 -5.02 116.55 114.15 1k3j n ASP 139 Ca 0.17 -3.49 -0.35 0.00 0.71 0.00 0.00 54.79 51.83 1k3j n ASP 139 Cb 0.43 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.83 4.28 -0.06 0.53 1.01 -1.20 -4.42 121.20 118.50 1k3j s ILE 140 Ca 0.35 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1k3j s ILE 140 Cb 0.33 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 1k3j s ILE 140 CO -0.04 0.60 -0.24 -0.22 0.00 0.00 0.00 174.94 175.04 1k3j s LEU 141 N -0.82 2.05 0.11 2.97 0.20 0.27 -4.96 118.68 118.51 1k3j s LEU 141 Ca 0.12 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.52 1k3j s LEU 141 Cb -0.11 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.27 1k3j s LEU 141 CO 0.02 0.22 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.66 1k3j s SER 142 N -0.06 4.41 0.04 3.68 0.15 -1.26 0.10 113.70 120.76 1k3j s SER 142 Ca -0.06 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1k3j s SER 142 Cb -0.14 -0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1k3j s SER 142 CO 0.04 0.17 -0.08 -0.76 1.20 0.00 0.00 173.24 173.81 1k3j s LEU 143 N -2.31 2.25 -0.02 3.45 1.43 0.20 -3.71 118.68 119.98 1k3j s LEU 143 Ca 0.22 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1k3j s LEU 143 Cb -0.11 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 1k3j s LEU 143 CO 0.14 -0.18 -0.25 -0.69 0.23 0.00 0.00 176.35 175.60 1k3j s VAL 144 N -1.32 2.00 -0.16 -1.59 1.01 0.33 0.13 120.40 120.81 1k3j s VAL 144 Ca -0.09 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.75 1k3j s VAL 144 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1k3j s VAL 144 CO 0.01 0.57 0.01 -0.63 0.00 0.00 0.00 175.10 175.06 1k3j s ILE 145 N -0.59 4.37 -0.25 2.22 1.01 0.22 0.13 121.20 128.31 1k3j s ILE 145 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1k3j s ILE 145 Cb -0.10 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1k3j s ILE 145 CO -0.01 0.49 -0.06 -0.36 0.00 0.00 0.00 174.94 174.99 1k3j s PHE 146 N 0.26 3.09 0.03 3.97 0.40 0.29 -2.65 117.98 123.37 1k3j s PHE 146 Ca 0.01 -1.66 -0.25 0.00 -0.60 0.00 0.00 56.93 54.43 1k3j s PHE 146 Cb -0.13 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1k3j s PHE 146 CO 0.02 -0.75 0.75 0.42 0.70 0.00 0.00 175.22 176.36 1k3j s ILE 147 N 1.30 4.77 0.04 0.64 1.01 -1.26 0.32 121.20 128.01 1k3j s ILE 147 Ca -0.01 1.60 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 1k3j s ILE 147 Cb -0.17 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1k3j s ILE 147 CO -0.05 0.35 0.86 0.21 0.00 0.00 0.00 174.94 176.32 1k3j s ASN 148 N 0.02 7.30 0.13 3.58 2.47 -1.18 -4.96 114.94 122.30 1k3j s ASN 148 Ca 0.38 1.56 -0.08 0.00 0.42 0.00 0.00 52.86 55.15 1k3j s ASN 148 Cb -0.20 -2.52 -0.07 0.00 -1.45 0.00 0.00 41.25 37.01 1k3j s ASN 148 CO 0.22 -0.08 1.35 0.44 -3.72 0.00 0.00 177.10 175.31 1k3j h ASP 149 N 6.00 0.74 -0.37 -4.21 3.32 -1.92 -2.95 116.42 117.02 1k3j h ASP 149 Ca -0.43 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.13 1k3j h ASP 149 Cb 1.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1k3j h ASP 149 CO 0.73 1.27 0.23 0.11 -1.72 0.00 0.00 179.24 179.86 1k3j h LYS 150 N 0.41 0.50 -0.57 3.56 6.56 -1.93 -1.01 116.57 124.11 1k3j h LYS 150 Ca -0.05 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1k3j h LYS 150 Cb 1.39 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.92 1k3j h LYS 150 CO 0.15 0.37 0.34 0.35 -2.06 0.00 0.00 179.45 178.59 1k3j h PHE 151 N 0.49 0.75 -0.79 -1.35 3.57 -1.81 -2.53 116.94 115.27 1k3j h PHE 151 Ca 0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1k3j h PHE 151 Cb -0.01 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1k3j h PHE 151 CO -0.04 0.52 0.33 -0.22 -2.23 0.00 0.00 178.31 176.67 1k3j h LYS 152 N 0.76 1.17 -0.33 1.11 3.64 -1.31 -0.95 116.57 120.66 1k3j h LYS 152 Ca 0.20 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1k3j h LYS 152 Cb -0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1k3j h LYS 152 CO -0.04 0.94 0.19 1.96 -2.27 0.00 0.00 179.45 180.23 1k3j h GLN 153 N 1.14 0.37 -0.22 1.90 4.20 -0.86 0.17 115.11 121.80 1k3j h GLN 153 Ca 0.26 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1k3j h GLN 153 Cb 0.20 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1k3j h GLN 153 CO -0.02 0.24 -0.10 0.00 -0.67 0.00 0.00 178.83 178.29 1k3j h LEU 155 N 0.17 1.10 -1.33 0.00 -0.00 -0.99 0.90 115.31 115.16 1k3j h LEU 155 Ca 0.05 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1k3j h LEU 155 Cb 0.58 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 1k3j h LEU 155 CO 0.03 0.86 0.39 -0.08 -0.00 0.00 0.00 178.44 179.64 1k3j h GLU 156 N 1.25 0.84 0.11 1.13 4.22 -0.61 -2.89 114.58 118.64 1k3j h GLU 156 Ca 0.32 -0.06 -0.33 0.00 0.08 0.00 0.00 59.36 59.37 1k3j h GLU 156 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1k3j h GLU 156 CO -0.06 0.58 -1.78 1.96 -2.18 0.00 0.00 179.01 177.54 1k3j h GLN 157 N 0.86 0.23 -6.75 1.92 4.20 -1.20 -3.49 115.11 110.89 1k3j h GLN 157 Ca 0.23 -0.40 -0.54 0.00 0.06 0.00 0.00 58.65 58.00 1k3j h GLN 157 Cb -0.05 0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.88 1k3j h GLN 157 CO -0.05 1.07 -1.00 0.27 -0.67 0.00 0.00 178.83 178.46 1k3j n ASN 158 N -3.41 -4.58 -4.71 1.46 0.23 0.31 -4.96 115.26 99.61 1k3j n ASN 158 Ca -0.24 -1.16 -0.32 0.00 -0.53 0.00 0.00 54.58 52.33 1k3j n ASN 158 Cb 1.05 -2.03 -0.08 0.00 -2.08 0.00 0.00 39.78 36.64 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 -6.58 2.81 -0.10 -3.83 -0.14 -1.26 -5.08 119.74 105.56 1k3j s LYS 159 Ca 0.38 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 54.07 1k3j s LYS 159 Cb -0.19 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1k3j s LYS 159 CO 0.93 0.61 1.25 0.54 -0.76 0.00 0.00 175.35 177.93 1k3j s VAL 160 N -1.15 4.21 -0.25 3.17 0.11 -1.26 -5.01 120.40 120.23 1k3j s VAL 160 Ca 0.21 1.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.78 1k3j s VAL 160 Cb -0.12 -3.97 0.07 0.00 -1.53 0.00 0.00 36.38 30.83 1k3j s VAL 160 CO 0.13 -0.06 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.99 1k3j s ASP 161 N 1.75 3.90 -0.19 3.54 1.01 -1.26 -5.00 116.67 120.43 1k3j s ASP 161 Ca 0.56 -1.27 -0.16 0.00 0.71 0.00 0.00 52.55 52.39 1k3j s ASP 161 Cb -0.24 -1.17 -0.12 0.00 1.01 0.00 0.00 42.92 42.40 1k3j s ASP 161 CO 0.19 -0.26 0.01 -1.14 0.21 0.00 0.00 175.17 174.18 1k3j n ARG 162 N 4.66 0.52 -2.65 8.23 0.63 -1.26 -4.90 116.66 121.90 1k3j n ARG 162 Ca -0.10 0.53 -0.42 0.00 -0.92 0.00 0.00 57.85 56.94 1k3j n ARG 162 Cb 0.44 -1.70 -0.04 0.00 0.45 0.00 0.00 32.46 31.61 1k3j n ARG 162 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1k3j s ILE 163 N -2.34 4.51 0.00 5.15 -4.36 -1.26 -5.29 121.20 117.60 1k3j s ILE 163 Ca -0.24 1.91 0.00 0.00 -0.26 0.00 0.00 60.65 62.06 1k3j s ILE 163 Cb 0.05 -4.22 0.00 0.00 1.25 0.00 0.00 42.46 39.53 1k3j s ILE 163 CO 0.44 0.21 0.00 0.54 0.24 0.00 0.00 174.94 176.37