#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 -0.05 0.00 -2.24 -1.26 -4.88 114.28 105.85 1k3j n THR 15 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1k3j n THR 15 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.30 -0.46 -0.78 5.75 -2.07 -3.06 115.11 114.79 1k3j h GLN 16 Ca 0.00 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 1k3j h GLN 16 Cb 0.00 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1k3j h GLN 16 CO 0.00 0.67 0.08 -0.09 -2.65 0.00 0.00 178.83 176.84 1k3j h ARG 17 N -0.06 0.71 -0.81 1.69 2.43 -2.01 -2.71 114.38 113.61 1k3j h ARG 17 Ca 0.03 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1k3j h ARG 17 Cb 0.59 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 1k3j h ARG 17 CO 0.03 0.66 0.49 0.35 -1.51 0.00 0.00 179.97 179.99 1k3j h PHE 18 N 0.68 0.91 -0.34 2.20 3.57 -1.88 -0.58 116.94 121.50 1k3j h PHE 18 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1k3j h PHE 18 Cb 0.30 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1k3j h PHE 18 CO 0.01 0.45 0.23 1.25 -2.23 0.00 0.00 178.31 178.02 1k3j h LEU 19 N 0.89 0.26 -0.42 0.59 7.12 -1.38 -1.21 115.31 121.16 1k3j h LEU 19 Ca 0.36 -0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.19 1k3j h LEU 19 Cb 0.19 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1k3j h LEU 19 CO -0.18 0.18 -0.71 0.40 -0.13 0.00 0.00 178.44 178.00 1k3j h ILE 20 N 0.30 1.37 -0.99 4.05 2.04 -1.14 -3.15 117.51 119.99 1k3j h ILE 20 Ca 0.14 -2.09 0.07 0.00 1.00 0.00 0.00 64.86 63.98 1k3j h ILE 20 Cb 0.20 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1k3j h ILE 20 CO -0.03 0.63 0.64 -0.08 0.00 0.00 0.00 178.15 179.31 1k3j h GLU 21 N 0.30 1.12 0.00 2.37 4.22 -0.64 0.93 114.58 122.88 1k3j h GLU 21 Ca -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 1k3j h GLU 21 Cb 1.27 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1k3j h GLU 21 CO 0.12 0.74 -0.16 -0.22 -2.18 0.00 0.00 179.01 177.32 1k3j h LYS 22 N 1.16 0.00 -0.35 1.92 3.64 -1.49 -2.74 116.57 118.71 1k3j h LYS 22 Ca 0.43 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.85 1k3j h LYS 22 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1k3j h LYS 22 CO -0.17 0.16 0.13 0.35 -2.27 0.00 0.00 179.45 177.65 1k3j h PHE 23 N 0.00 0.23 0.04 1.91 3.57 -0.81 -3.16 116.94 118.73 1k3j h PHE 23 Ca -0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1k3j h PHE 23 Cb 0.48 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1k3j h PHE 23 CO 0.00 0.10 -0.36 0.77 -2.23 0.00 0.00 178.31 176.59 1k3j h SER 24 N 0.28 0.24 -3.48 0.41 0.02 -1.54 -3.43 113.55 106.06 1k3j h SER 24 Ca 0.16 -0.90 -0.60 0.00 -0.84 0.00 0.00 61.79 59.61 1k3j h SER 24 Cb 0.12 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.49 1k3j h SER 24 CO -0.15 1.12 0.56 0.00 -1.14 0.00 0.00 176.83 177.22 1k3j s GLN 25 N -2.64 3.85 0.15 3.45 1.03 -1.05 -5.03 119.66 119.42 1k3j s GLN 25 Ca -0.16 0.57 -0.19 0.00 0.04 0.00 0.00 55.36 55.62 1k3j s GLN 25 Cb -0.00 -3.79 -0.07 0.00 0.03 0.00 0.00 33.01 29.17 1k3j s GLN 25 CO 0.76 -0.90 0.64 -1.21 -2.54 0.00 0.00 175.29 172.03 1k3j s GLU 26 N 3.38 4.22 -0.11 9.60 2.02 -1.26 -4.61 118.70 131.94 1k3j s GLU 26 Ca 0.37 0.78 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 1k3j s GLU 26 Cb -0.12 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 1k3j s GLU 26 CO 0.18 0.52 1.11 -1.14 0.02 0.00 0.00 175.26 175.95 1k3j s GLN 27 N -1.55 4.36 0.17 1.61 0.74 -1.26 -5.01 119.66 118.71 1k3j s GLN 27 Ca 0.36 1.52 -0.28 0.00 0.05 0.00 0.00 55.36 57.01 1k3j s GLN 27 Cb -0.18 -3.58 -0.08 0.00 1.10 0.00 0.00 33.01 30.27 1k3j s GLN 27 CO 0.21 -0.44 0.87 0.42 -0.55 0.00 0.00 175.29 175.79 1k3j s ILE 28 N 2.37 4.33 0.00 -2.34 -1.09 -1.26 -4.94 121.20 118.27 1k3j s ILE 28 Ca 0.51 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 1k3j s ILE 28 Cb -0.21 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 1k3j s ILE 28 CO 0.18 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 1k3j n GLY 29 N 1.77 3.32 0.09 6.18 0.00 -1.26 -4.99 105.19 110.30 1k3j n GLY 29 Ca -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1k3j n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k3j h GLU 30 N 0.00 0.00 0.00 1.61 4.11 -2.01 -3.42 114.58 114.87 1k3j h GLU 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1k3j h GLU 30 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k3j h GLU 30 CO 0.00 0.77 0.00 0.09 0.07 0.00 0.00 179.01 179.94 1k3j n ASN 31 N -3.26 0.00 -4.74 3.06 3.02 -1.26 -5.08 115.26 107.00 1k3j n ASN 31 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 1k3j n ASN 31 Cb 0.88 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.02 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 3.64 -0.14 2.41 -1.09 -1.26 -1.07 121.20 123.69 1k3j s ILE 32 Ca 0.00 1.37 -0.09 0.00 -2.23 0.00 0.00 60.65 59.70 1k3j s ILE 32 Cb 0.00 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1k3j s ILE 32 CO 0.00 0.21 -0.17 0.58 -1.23 0.00 0.00 174.94 174.33 1k3j h VAL 33 N 3.81 0.00 -3.03 2.92 2.07 -1.15 -3.39 116.25 117.47 1k3j h VAL 33 Ca -0.44 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 1k3j h VAL 33 Cb 1.21 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.79 1k3j h VAL 33 CO 0.75 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 178.09 1k3j s ARG 35 N -1.54 2.68 -0.24 0.00 3.00 0.26 -1.92 118.95 121.20 1k3j s ARG 35 Ca -0.12 -0.68 -0.08 0.00 -1.00 0.00 0.00 55.73 53.85 1k3j s ARG 35 Cb -0.04 -2.44 -0.03 0.00 0.00 0.00 0.00 34.95 32.43 1k3j s ARG 35 CO 0.03 0.55 0.08 0.08 0.00 0.00 0.00 175.30 176.05 1k3j s VAL 36 N -0.54 4.57 -0.10 7.11 1.01 -1.14 0.14 120.40 131.45 1k3j s VAL 36 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1k3j s VAL 36 Cb -0.12 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1k3j s VAL 36 CO 0.01 0.36 -0.15 -0.63 0.00 0.00 0.00 175.10 174.70 1k3j s ILE 37 N 1.30 1.44 -0.23 2.22 1.01 0.24 -2.60 121.20 124.57 1k3j s ILE 37 Ca 0.05 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 1k3j s ILE 37 Cb -0.15 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.01 1k3j s ILE 37 CO 0.04 0.43 0.95 0.00 0.00 0.00 0.00 174.94 176.36 1k3j h THR 39 N 5.44 0.93 0.00 0.00 1.03 -1.90 -3.29 112.91 115.12 1k3j h THR 39 Ca -0.21 -2.55 0.00 0.00 -0.01 0.00 0.00 66.41 63.64 1k3j h THR 39 Cb 1.07 2.39 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 1k3j h THR 39 CO 0.93 0.53 0.00 0.35 -0.01 0.00 0.00 175.52 177.32 1k3j n THR 40 N -3.10 0.00 -2.69 0.00 -2.24 -1.25 -4.96 114.28 100.05 1k3j n THR 40 Ca -0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1k3j n THR 40 Cb 0.90 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.20 0.98 3.38 0.00 -1.24 -4.99 105.19 103.21 1k3j n GLY 41 Ca 0.20 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.14 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 -0.61 0.00 -4.78 1.61 6.02 -1.26 -5.11 117.38 113.25 1k3j n GLN 42 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 1k3j n GLN 42 Cb 0.41 -0.17 -0.13 0.00 1.02 0.00 0.00 30.24 31.38 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 -1.49 3.12 0.30 5.09 1.01 -1.26 -4.95 121.20 123.02 1k3j s ILE 43 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 1k3j s ILE 43 Cb 0.00 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.12 1k3j s ILE 43 CO 0.00 0.52 1.12 -2.16 0.00 0.00 0.00 174.94 174.42 1k3j s PRO 44 N -0.96 4.53 0.38 2.79 0.04 -1.26 -4.27 135.00 136.25 1k3j s PRO 44 Ca 0.13 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 1k3j s PRO 44 Cb -0.11 -3.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.24 1k3j s PRO 44 CO 0.02 0.10 1.22 -0.89 0.04 0.00 0.00 177.00 177.49 1k3j n ILE 45 N 0.96 2.26 -4.30 0.56 5.41 -1.26 -4.90 119.36 118.09 1k3j n ILE 45 Ca -0.00 -0.50 -0.16 0.00 1.00 0.00 0.00 62.75 63.09 1k3j n ILE 45 Cb 0.45 -1.46 -0.10 0.00 -0.71 0.00 0.00 39.64 37.82 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 -1.99 1.25 -0.18 0.38 3.52 -1.07 -5.05 118.95 115.81 1k3j s ARG 46 Ca 0.59 -1.60 0.01 0.00 -0.13 0.00 0.00 55.73 54.59 1k3j s ARG 46 Cb -0.56 -0.60 0.02 0.00 -1.56 0.00 0.00 34.95 32.25 1k3j s ARG 46 CO 0.60 -0.05 -0.19 0.16 -0.81 0.00 0.00 175.30 175.01 1k3j s ASP 47 N -3.26 3.24 -0.13 -2.12 -4.77 -1.26 -2.86 116.67 105.51 1k3j s ASP 47 Ca 0.25 -0.64 -0.10 0.00 -3.30 0.00 0.00 52.55 48.76 1k3j s ASP 47 Cb 0.05 -1.50 -0.05 0.00 -1.09 0.00 0.00 42.92 40.33 1k3j s ASP 47 CO 0.06 -0.00 0.20 -0.76 0.70 0.00 0.00 175.17 175.36 1k3j s LEU 48 N 1.30 4.33 0.08 2.11 1.43 -0.81 -5.04 118.68 122.08 1k3j s LEU 48 Ca 0.05 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.55 1k3j s LEU 48 Cb -0.13 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1k3j s LEU 48 CO -0.12 0.28 0.14 -0.94 0.23 0.00 0.00 176.35 175.94 1k3j s SER 49 N -0.40 0.20 -0.02 2.29 1.04 -1.26 -0.58 113.70 114.96 1k3j s SER 49 Ca 0.14 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1k3j s SER 49 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1k3j s SER 49 CO 0.03 -0.68 0.07 0.00 0.98 0.00 0.00 173.24 173.64 1k3j s ALA 50 N -3.76 -0.16 0.04 5.32 0.00 -0.24 -4.79 121.76 118.19 1k3j s ALA 50 Ca 0.04 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1k3j s ALA 50 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1k3j s ALA 50 CO -0.10 -0.06 0.99 -0.51 0.00 0.00 0.00 175.76 176.08 1k3j s ASP 51 N -0.21 7.39 0.12 0.00 1.01 -1.26 -4.68 116.67 119.03 1k3j s ASP 51 Ca -0.03 1.74 -0.16 0.00 0.71 0.00 0.00 52.55 54.81 1k3j s ASP 51 Cb -0.02 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1k3j s ASP 51 CO 0.00 -0.21 1.62 0.40 0.21 0.00 0.00 175.17 177.19 1k3j h ILE 52 N 4.52 1.22 -0.95 0.77 1.08 -1.98 -1.70 117.51 120.47 1k3j h ILE 52 Ca -0.42 -0.75 0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1k3j h ILE 52 Cb 1.22 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.94 1k3j h ILE 52 CO 0.74 0.25 0.62 0.28 -0.69 0.00 0.00 178.15 179.36 1k3j h SER 53 N 0.43 1.06 -0.20 1.72 0.02 -1.99 0.85 113.55 115.45 1k3j h SER 53 Ca 0.11 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1k3j h SER 53 Cb 0.29 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1k3j h SER 53 CO 0.00 0.75 -0.30 1.56 -1.14 0.00 0.00 176.83 177.71 1k3j h GLN 54 N 1.25 0.70 -0.35 3.45 1.08 -1.94 -0.53 115.11 118.76 1k3j h GLN 54 Ca 0.36 -0.31 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 1k3j h GLN 54 Cb -0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1k3j h GLN 54 CO -0.10 0.91 -0.30 0.28 -0.95 0.00 0.00 178.83 178.67 1k3j h VAL 55 N 0.60 1.29 -0.11 -0.54 2.07 -0.53 0.38 116.25 119.40 1k3j h VAL 55 Ca 0.07 -1.47 -0.14 0.00 0.82 0.00 0.00 66.70 65.98 1k3j h VAL 55 Cb 0.80 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1k3j h VAL 55 CO 0.07 0.48 -0.55 0.25 0.02 0.00 0.00 177.57 177.84 1k3j h LEU 56 N 0.60 0.38 0.14 2.57 6.46 -0.78 -3.26 115.31 121.42 1k3j h LEU 56 Ca 0.06 -0.20 -0.20 0.00 -0.12 0.00 0.00 57.88 57.42 1k3j h LEU 56 Cb 0.88 -0.11 0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1k3j h LEU 56 CO 0.08 0.85 -0.88 0.50 -0.62 0.00 0.00 178.44 178.37 1k3j h LYS 57 N 0.26 0.30 -6.26 1.25 3.64 -1.03 -3.44 116.57 111.29 1k3j h LYS 57 Ca 0.00 -0.52 -0.55 0.00 -1.27 0.00 0.00 60.65 58.31 1k3j h LYS 57 Cb 1.05 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1k3j h LYS 57 CO 0.09 1.25 1.24 -1.21 -2.27 0.00 0.00 179.45 178.55 1k3j s GLU 58 N -2.44 3.91 -0.11 1.90 2.02 0.13 -4.85 118.70 119.27 1k3j s GLU 58 Ca -0.14 2.29 0.19 0.00 0.02 0.00 0.00 54.97 57.32 1k3j s GLU 58 Cb 0.01 -4.15 -0.26 0.00 0.10 0.00 0.00 34.13 29.84 1k3j s GLU 58 CO 0.83 -1.20 0.32 0.36 0.02 0.00 0.00 175.26 175.59 1k3j n LYS 59 N 7.71 0.67 -0.47 1.61 -0.00 -1.26 -4.86 118.16 121.56 1k3j n LYS 59 Ca 0.21 -0.01 -0.27 0.00 -0.00 0.00 0.00 58.31 58.24 1k3j n LYS 59 Cb 0.43 -1.57 0.22 0.00 -0.00 0.00 0.00 35.03 34.10 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 -2.65 -2.92 -2.19 -1.58 0.63 -1.26 -4.89 116.66 101.80 1k3j n ARG 60 Ca -0.21 -0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 55.45 1k3j n ARG 60 Cb 0.95 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 32.04 1k3j n ARG 60 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1k3j s SER 61 N -2.32 6.86 0.45 6.15 1.04 -1.26 -4.77 113.70 119.85 1k3j s SER 61 Ca 0.57 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.39 1k3j s SER 61 Cb -0.13 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1k3j s SER 61 CO 0.55 -0.58 0.00 0.00 0.98 0.00 0.00 173.24 174.19 1k3j n ILE 62 N 3.01 -1.36 0.00 -1.02 0.13 -1.26 -4.98 119.36 113.88 1k3j n ILE 62 Ca 0.08 0.88 0.00 0.00 -1.10 0.00 0.00 62.75 62.60 1k3j n ILE 62 Cb 0.42 -1.39 0.00 0.00 -0.84 0.00 0.00 39.64 37.83 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 -3.32 0.00 -4.24 9.51 4.76 -0.41 -4.97 118.16 119.48 1k3j n LYS 63 Ca -0.04 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.23 1k3j n LYS 63 Cb 0.44 -0.37 -0.15 0.00 -1.84 0.00 0.00 35.03 33.12 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 -0.99 0.56 -0.02 1.97 2.20 -1.13 -5.01 119.74 117.31 1k3j s LYS 64 Ca 0.00 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 1k3j s LYS 64 Cb 0.00 -0.54 -0.01 0.00 -1.51 0.00 0.00 37.83 35.77 1k3j s LYS 64 CO 0.00 0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 175.05 1k3j s VAL 65 N -0.13 1.31 -0.13 4.02 1.01 -1.26 -1.02 120.40 124.19 1k3j s VAL 65 Ca 0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1k3j s VAL 65 Cb -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1k3j s VAL 65 CO -0.00 0.37 0.12 0.26 0.00 0.00 0.00 175.10 175.85 1k3j s TRP 66 N -0.32 3.51 -0.16 5.22 0.51 0.53 -4.88 118.94 123.36 1k3j s TRP 66 Ca 0.05 0.45 -0.01 0.00 -2.12 0.00 0.00 56.10 54.46 1k3j s TRP 66 Cb -0.07 -1.95 -0.01 0.00 -0.81 0.00 0.00 33.47 30.62 1k3j s TRP 66 CO -0.00 0.63 -0.11 0.99 -0.51 0.00 0.00 176.95 177.95 1k3j s THR 67 N -0.79 3.15 0.02 2.01 2.01 -1.26 0.15 115.64 120.93 1k3j s THR 67 Ca 0.13 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1k3j s THR 67 Cb -0.12 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1k3j s THR 67 CO 0.03 0.50 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.08 1k3j s PHE 68 N 0.66 3.00 -1.75 4.92 0.40 0.42 0.64 117.98 126.28 1k3j s PHE 68 Ca -0.06 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1k3j s PHE 68 Cb -0.15 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.75 1k3j s PHE 68 CO 0.02 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.79 1k3j n GLY 69 N 1.27 -1.53 0.07 4.36 0.00 -0.85 0.48 105.19 109.00 1k3j n GLY 69 Ca -0.14 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.18 0.64 -3.22 1.61 1.74 -1.04 -0.39 116.66 115.82 1k3j n ARG 70 Ca 0.00 -0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.54 1k3j n ARG 70 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 1k3j n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k3j s ASN 71 N -2.47 7.12 0.00 0.55 2.20 -1.26 -4.63 114.94 116.44 1k3j s ASN 71 Ca 0.30 1.32 0.15 0.00 -0.94 0.00 0.00 52.86 53.69 1k3j s ASN 71 Cb 0.20 -2.39 0.76 0.00 -2.00 0.00 0.00 41.25 37.83 1k3j s ASN 71 CO 0.46 0.25 1.37 -2.65 -2.94 0.00 0.00 177.10 173.59 1k3j n PRO 72 N 1.78 0.26 -0.00 3.55 -0.02 -1.26 -2.36 135.00 136.95 1k3j n PRO 72 Ca -0.09 0.12 -0.19 0.00 -2.02 0.00 0.00 63.50 61.31 1k3j n PRO 72 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 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 2.74 0.04 -1.32 3.55 0.00 -1.94 -3.47 119.26 118.86 1k3j h ALA 73 Ca 0.00 -0.81 -0.65 0.00 0.00 0.00 0.00 54.91 53.44 1k3j h ALA 73 Cb 0.10 0.25 0.11 0.00 0.00 0.00 0.00 17.79 18.25 1k3j h ALA 73 CO 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 1k3j h ASP 75 N 1.45 0.00 -3.22 0.00 1.82 -0.12 -3.37 116.42 112.98 1k3j h ASP 75 Ca -0.33 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.80 1k3j h ASP 75 Cb 1.41 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.05 1k3j h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.95 1k3j s TYR 76 N -4.01 1.38 -0.32 0.28 6.14 0.50 -4.87 117.35 116.45 1k3j s TYR 76 Ca -0.04 -0.65 -0.22 0.00 0.64 0.00 0.00 57.07 56.80 1k3j s TYR 76 Cb 0.10 -1.16 -0.00 0.00 0.42 0.00 0.00 41.96 41.32 1k3j s TYR 76 CO 0.31 -0.46 0.72 -1.58 0.64 0.00 0.00 175.55 175.18 1k3j s HIS 77 N 1.59 3.19 0.00 4.97 5.65 -1.26 -2.01 115.29 127.41 1k3j s HIS 77 Ca 0.02 0.64 0.00 0.00 0.25 0.00 0.00 55.06 55.98 1k3j s HIS 77 Cb -0.13 -3.17 0.00 0.00 -1.18 0.00 0.00 32.58 28.11 1k3j s HIS 77 CO -0.06 -0.57 0.00 1.28 -0.65 0.00 0.00 174.74 174.74 1k3j n LEU 78 N 6.12 0.79 0.00 8.88 4.77 0.47 -4.77 117.00 133.26 1k3j n LEU 78 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1k3j n LEU 78 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1k3j n LEU 78 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1k3j n GLY 79 N 2.64 -1.00 2.67 -0.72 0.00 -1.26 -4.64 105.19 102.89 1k3j n GLY 79 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N 0.00 -1.34 -4.36 1.61 6.94 -1.26 -4.65 115.26 112.19 1k3j n ASN 80 Ca 0.00 -1.63 -0.35 0.00 -0.02 0.00 0.00 54.58 52.58 1k3j n ASN 80 Cb 0.00 0.72 -0.13 0.00 -2.36 0.00 0.00 39.78 38.01 1k3j n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1k3j s ILE 81 N 0.29 3.60 0.33 1.53 1.09 -1.26 -4.99 121.20 121.78 1k3j s ILE 81 Ca 0.26 -0.42 0.05 0.00 -1.10 0.00 0.00 60.65 59.44 1k3j s ILE 81 Cb 0.19 -2.63 0.30 0.00 -1.06 0.00 0.00 42.46 39.26 1k3j s ILE 81 CO -0.09 0.42 1.87 0.28 -0.10 0.00 0.00 174.94 177.33 1k3j h SER 82 N 7.88 0.76 0.07 3.58 0.02 -2.00 0.18 113.55 124.04 1k3j h SER 82 Ca -0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1k3j h SER 82 Cb 1.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1k3j h SER 82 CO 0.60 0.42 0.00 0.03 -1.14 0.00 0.00 176.83 176.74 1k3j h ARG 83 N 0.83 0.00 -6.05 3.45 2.47 -1.91 -3.42 114.38 109.75 1k3j h ARG 83 Ca 0.44 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.57 1k3j h ARG 83 Cb 0.55 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 1k3j h ARG 83 CO -0.21 0.00 -0.52 -0.51 0.56 0.00 0.00 179.97 179.30 1k3j s LEU 84 N -6.13 4.16 0.47 3.04 1.43 0.61 -4.42 118.68 117.85 1k3j s LEU 84 Ca -0.05 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1k3j s LEU 84 Cb 0.13 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.60 1k3j s LEU 84 CO 0.42 0.12 0.65 -0.94 0.23 0.00 0.00 176.35 176.82 1k3j s SER 85 N -2.81 5.49 0.00 2.29 1.04 -1.26 -4.80 113.70 113.64 1k3j s SER 85 Ca 0.33 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1k3j s SER 85 Cb -0.12 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1k3j s SER 85 CO 0.26 -0.93 0.47 0.59 0.98 0.00 0.00 173.24 174.61 1k3j n ASN 86 N -2.04 0.00 -4.42 7.02 3.02 -1.26 -2.50 115.26 115.08 1k3j n ASN 86 Ca 0.09 0.47 -0.44 0.00 -0.03 0.00 0.00 54.58 54.66 1k3j n ASN 86 Cb 0.59 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1k3j n ASN 86 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1k3j s LYS 87 N -0.94 3.97 0.17 3.52 1.02 -1.26 -2.50 119.74 123.73 1k3j s LYS 87 Ca 0.00 -2.54 -0.14 0.00 0.02 0.00 0.00 55.97 53.31 1k3j s LYS 87 Cb 0.00 -4.86 0.10 0.00 -0.52 0.00 0.00 37.83 32.55 1k3j s LYS 87 CO 0.00 -1.61 1.79 1.25 -0.92 0.00 0.00 175.35 175.86 1k3j h HIS 88 N 7.45 0.43 -3.81 3.18 2.76 0.34 -3.36 115.15 122.15 1k3j h HIS 88 Ca 0.23 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 1k3j h HIS 88 Cb 0.92 -0.13 -0.15 0.00 1.55 0.00 0.00 27.41 29.60 1k3j h HIS 88 CO 1.03 0.22 -0.42 -0.59 -1.30 0.00 0.00 177.93 176.88 1k3j s PHE 89 N -6.14 0.18 0.01 5.26 -0.71 -1.02 0.16 117.98 115.71 1k3j s PHE 89 Ca -0.13 -0.58 0.02 0.00 -1.04 0.00 0.00 56.93 55.20 1k3j s PHE 89 Cb 0.13 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1k3j s PHE 89 CO 0.73 -0.49 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.92 1k3j s GLN 90 N -3.55 0.47 -0.10 1.99 0.74 0.37 0.16 119.66 119.74 1k3j s GLN 90 Ca 0.03 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.15 1k3j s GLN 90 Cb 0.04 -0.41 -0.01 0.00 1.10 0.00 0.00 33.01 33.73 1k3j s GLN 90 CO -0.09 0.11 -0.20 0.42 -0.55 0.00 0.00 175.29 174.98 1k3j s ILE 91 N -0.38 2.46 0.01 -2.34 1.01 0.41 0.16 121.20 122.53 1k3j s ILE 91 Ca -0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1k3j s ILE 91 Cb -0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1k3j s ILE 91 CO -0.00 0.55 -0.14 -1.48 0.00 0.00 0.00 174.94 173.87 1k3j s LEU 92 N 0.17 2.79 -0.10 2.97 2.34 0.49 0.20 118.68 127.55 1k3j s LEU 92 Ca -0.11 -0.29 0.02 0.00 0.06 0.00 0.00 54.13 53.81 1k3j s LEU 92 Cb -0.16 -1.61 0.01 0.00 -0.56 0.00 0.00 46.19 43.87 1k3j s LEU 92 CO 0.06 0.29 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.26 1k3j s LEU 93 N -1.26 1.74 0.00 1.48 1.98 -0.19 -0.73 118.68 121.70 1k3j s LEU 93 Ca 0.15 -0.42 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 1k3j s LEU 93 Cb -0.11 -1.08 0.00 0.00 0.66 0.00 0.00 46.19 45.67 1k3j s LEU 93 CO 0.05 0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.15 1k3j n GLY 94 N 4.08 -0.71 5.39 7.98 0.00 -1.26 -1.29 105.19 119.38 1k3j n GLY 94 Ca -0.20 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.70 -0.93 1.61 1.02 -1.26 -3.50 120.64 116.88 1k3j n GLU 95 Ca 0.00 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.26 1k3j n GLU 95 Cb 0.00 -0.85 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k3j n ASP 96 N -3.49 3.16 -0.05 1.62 8.00 -1.26 -4.81 116.55 119.73 1k3j n ASP 96 Ca 0.00 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1k3j n ASP 96 Cb 0.16 -1.05 -0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 4.26 -2.15 2.15 0.44 0.00 -1.23 -5.06 105.19 103.60 1k3j n GLY 97 Ca 0.45 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.05 -5.40 -4.27 1.61 3.02 -1.26 -4.75 115.26 104.16 1k3j n ASN 98 Ca 0.00 0.84 -0.15 0.00 -0.03 0.00 0.00 54.58 55.24 1k3j n ASN 98 Cb 0.01 -2.35 -0.10 0.00 -0.61 0.00 0.00 39.78 36.73 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k3j s LEU 99 N 0.00 2.52 0.01 3.41 1.43 -1.26 -4.26 118.68 120.54 1k3j s LEU 99 Ca 0.00 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.12 1k3j s LEU 99 Cb 0.00 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1k3j s LEU 99 CO 0.00 -0.32 -0.14 -0.76 0.23 0.00 0.00 176.35 175.37 1k3j s LEU 100 N -3.19 2.09 -0.15 1.79 2.01 0.10 -1.78 118.68 119.54 1k3j s LEU 100 Ca 0.18 -0.33 -0.01 0.00 0.01 0.00 0.00 54.13 53.98 1k3j s LEU 100 Cb 0.02 -0.65 -0.02 0.00 0.01 0.00 0.00 46.19 45.55 1k3j s LEU 100 CO 0.02 0.11 -0.10 -0.76 1.01 0.00 0.00 176.35 176.63 1k3j s LEU 101 N -0.65 2.84 -0.22 1.79 1.02 -0.32 -0.38 118.68 122.78 1k3j s LEU 101 Ca 0.04 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.91 1k3j s LEU 101 Cb -0.06 -1.66 0.04 0.00 0.02 0.00 0.00 46.19 44.52 1k3j s LEU 101 CO 0.00 0.14 -0.16 0.21 0.02 0.00 0.00 176.35 176.57 1k3j s ASN 102 N 0.49 3.74 0.18 2.29 2.47 0.43 -2.23 114.94 122.31 1k3j s ASN 102 Ca -0.07 -0.98 -0.30 0.00 0.42 0.00 0.00 52.86 51.93 1k3j s ASN 102 Cb -0.15 -1.52 -0.08 0.00 -1.45 0.00 0.00 41.25 38.05 1k3j s ASN 102 CO 0.04 -0.09 1.00 1.51 -3.72 0.00 0.00 177.10 175.84 1k3j s ASP 103 N 1.21 7.48 -0.26 -4.21 1.47 -1.25 0.14 116.67 121.24 1k3j s ASP 103 Ca -0.01 1.95 0.20 0.00 1.18 0.00 0.00 52.55 55.87 1k3j s ASP 103 Cb -0.16 -2.60 0.47 0.00 -0.34 0.00 0.00 42.92 40.29 1k3j s ASP 103 CO -0.09 -0.03 1.22 2.30 0.68 0.00 0.00 175.17 179.24 1k3j n ILE 104 N 2.15 0.86 -3.89 2.11 -5.35 -0.64 0.21 119.36 114.81 1k3j n ILE 104 Ca 0.01 -2.28 -0.28 0.00 -0.27 0.00 0.00 62.75 59.93 1k3j n ILE 104 Cb 0.47 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 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 -2.99 6.36 0.31 7.28 0.01 0.43 -4.17 113.70 120.93 1k3j s SER 105 Ca 0.22 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.83 1k3j s SER 105 Cb 0.35 -1.95 0.52 0.00 0.21 0.00 0.00 66.02 65.15 1k3j s SER 105 CO -0.07 0.08 1.73 0.74 0.41 0.00 0.00 173.24 176.13 1k3j h THR 106 N 1.80 1.31 0.00 1.44 2.02 -1.88 -3.15 112.91 114.45 1k3j h THR 106 Ca -0.47 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1k3j h THR 106 Cb 1.18 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1k3j h THR 106 CO 0.71 0.44 -1.82 0.59 0.37 0.00 0.00 175.52 175.82 1k3j n ASN 107 N -4.03 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.24 1k3j n ASN 107 Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1k3j n ASN 107 Cb 0.47 1.72 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 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 -4.87 105.19 114.30 1k3j n GLY 108 Ca -0.03 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.80 2.50 0.09 2.61 2.01 -1.26 -4.38 115.64 114.41 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 -0.16 0.26 -0.69 0.00 0.00 174.62 174.61 1k3j s TRP 110 N -0.44 2.60 -0.21 4.92 0.51 0.36 -2.48 118.94 124.20 1k3j s TRP 110 Ca 0.05 -0.23 0.01 0.00 -2.12 0.00 0.00 56.10 53.81 1k3j s TRP 110 Cb -0.12 -1.40 0.05 0.00 -0.81 0.00 0.00 33.47 31.18 1k3j s TRP 110 CO 0.01 0.36 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.55 1k3j s LEU 111 N -1.94 2.43 -1.68 2.99 2.96 0.13 0.15 118.68 123.71 1k3j s LEU 111 Ca 0.18 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 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 0.09 -0.17 0.53 0.59 -1.32 0.00 0.00 176.35 176.07 1k3j n ASN 112 N 4.66 -1.60 0.00 3.68 3.02 -1.06 0.10 115.26 124.06 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 -2.25 0.00 0.00 -0.61 0.00 0.00 39.78 37.38 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 -1.62 1.91 3.46 7.41 0.00 -1.26 -5.01 105.19 110.08 1k3j n GLY 113 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1k3j n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.41 3.60 -0.11 1.61 1.11 0.28 -5.06 119.66 120.68 1k3j s GLN 114 Ca 0.00 -0.53 -0.30 0.00 0.01 0.00 0.00 55.36 54.54 1k3j s GLN 114 Cb 0.00 -3.45 -0.03 0.00 -1.01 0.00 0.00 33.01 28.52 1k3j s GLN 114 CO 0.00 -0.26 1.34 0.21 0.01 0.00 0.00 175.29 176.59 1k3j s LYS 115 N 1.64 4.25 0.49 2.91 2.47 -1.26 0.18 119.74 130.41 1k3j s LYS 115 Ca 0.06 1.80 -0.02 0.00 -1.56 0.00 0.00 55.97 56.25 1k3j s LYS 115 Cb -0.16 -3.75 -0.00 0.00 -1.46 0.00 0.00 37.83 32.46 1k3j s LYS 115 CO 0.06 -0.67 0.74 0.14 0.16 0.00 0.00 175.35 175.77 1k3j s VAL 116 N 3.24 4.01 0.01 4.02 -7.23 -1.03 -4.94 120.40 118.48 1k3j s VAL 116 Ca 0.59 -0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 60.15 1k3j s VAL 116 Cb -0.26 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.11 1k3j s VAL 116 CO 0.20 -0.41 1.43 -0.70 -0.31 0.00 0.00 175.10 175.31 1k3j s GLU 117 N -4.68 4.27 0.98 4.82 2.56 -1.26 -4.65 118.70 120.74 1k3j s GLU 117 Ca 0.49 2.02 -0.14 0.00 0.00 0.00 0.00 54.97 57.35 1k3j s GLU 117 Cb -0.10 -3.56 0.04 0.00 2.00 0.00 0.00 34.13 32.51 1k3j s GLU 117 CO 0.40 -0.59 0.31 1.17 -0.56 0.00 0.00 175.26 175.99 1k3j n LYS 118 N 5.34 -0.46 -2.82 4.30 4.81 -1.26 -2.22 118.16 125.85 1k3j n LYS 118 Ca 0.13 -0.10 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 1k3j n LYS 118 Cb 0.43 -1.81 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 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 -1.21 -1.03 -4.56 3.14 0.23 0.56 -4.86 115.26 107.52 1k3j n ASN 119 Ca 0.06 -0.25 -0.31 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 -0.11 0.53 0.15 -0.94 -4.91 113.70 110.80 1k3j s SER 120 Ca 0.29 -0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 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 0.59 0.20 1.20 0.00 0.00 173.24 175.85 1k3j s ASN 121 N -1.53 6.81 0.06 5.45 0.02 -1.26 -3.93 114.94 120.56 1k3j s ASN 121 Ca 0.17 0.97 0.06 0.00 -1.02 0.00 0.00 52.86 53.04 1k3j s ASN 121 Cb -0.11 -2.35 -0.03 0.00 0.02 0.00 0.00 41.25 38.79 1k3j s ASN 121 CO 0.08 -0.09 -0.15 -1.10 0.02 0.00 0.00 177.10 175.86 1k3j s GLN 122 N 0.88 0.96 0.14 -0.60 -1.52 -0.95 -4.92 119.66 113.66 1k3j s GLN 122 Ca 0.31 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 1k3j s GLN 122 Cb -0.16 -1.01 -0.07 0.00 -0.22 0.00 0.00 33.01 31.55 1k3j s GLN 122 CO 0.13 0.24 1.22 -1.17 -0.25 0.00 0.00 175.29 175.47 1k3j s LEU 123 N -1.41 4.41 0.79 2.90 2.96 -1.26 -1.17 118.68 125.91 1k3j s LEU 123 Ca 0.02 2.18 -0.13 0.00 -0.22 0.00 0.00 54.13 55.97 1k3j s LEU 123 Cb -0.09 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.08 1k3j s LEU 123 CO 0.02 -0.44 1.17 -0.22 -1.32 0.00 0.00 176.35 175.56 1k3j s LEU 124 N 0.36 3.13 0.15 -0.68 2.96 -0.73 -4.88 118.68 118.98 1k3j s LEU 124 Ca 0.56 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 56.79 1k3j s LEU 124 Cb -0.32 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 1k3j s LEU 124 CO 0.33 -2.50 -0.20 -0.44 -1.32 0.00 0.00 176.35 172.23 1k3j s SER 125 N -2.41 2.72 -0.16 3.68 0.01 -1.26 -4.94 113.70 111.34 1k3j s SER 125 Ca 0.70 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1k3j s SER 125 Cb -0.25 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 1k3j s SER 125 CO 0.50 0.01 1.50 -1.10 0.41 0.00 0.00 173.24 174.57 1k3j s GLN 126 N -2.48 4.05 -1.86 12.44 -1.52 -1.26 -2.42 119.66 126.60 1k3j s GLN 126 Ca 0.13 1.78 0.00 0.00 -1.95 0.00 0.00 55.36 55.32 1k3j s GLN 126 Cb -0.07 -3.93 0.00 0.00 -0.22 0.00 0.00 33.01 28.79 1k3j s GLN 126 CO 0.06 -0.98 0.00 0.41 -0.25 0.00 0.00 175.29 174.53 1k3j n GLY 127 N 4.17 0.85 3.26 3.09 0.00 -1.10 -4.95 105.19 110.50 1k3j n GLY 127 Ca 0.17 -0.09 -0.30 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 -1.34 -2.53 -3.78 1.61 2.03 -1.02 -4.45 116.55 107.07 1k3j n ASP 128 Ca -0.21 -0.24 -0.13 0.00 0.52 0.00 0.00 54.79 54.74 1k3j n ASP 128 Cb 0.65 -0.97 -0.13 0.00 -0.72 0.00 0.00 41.12 39.95 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 -3.69 0.19 -0.16 -0.67 2.02 -1.26 0.91 118.70 116.05 1k3j s GLU 129 Ca 0.56 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.89 1k3j s GLU 129 Cb -0.13 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.08 1k3j s GLU 129 CO 0.61 -0.09 -0.12 0.42 0.02 0.00 0.00 175.26 176.10 1k3j s ILE 130 N 0.60 3.01 -0.11 -1.63 1.01 0.25 -2.57 121.20 121.77 1k3j s ILE 130 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1k3j s ILE 130 Cb -0.06 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1k3j s ILE 130 CO -0.03 0.50 0.05 -0.89 0.00 0.00 0.00 174.94 174.57 1k3j s THR 131 N 0.72 4.74 0.05 2.92 2.01 0.38 0.18 115.64 126.63 1k3j s THR 131 Ca -0.05 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k3j s THR 131 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1k3j s THR 131 CO 0.02 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 1k3j s VAL 132 N -0.82 0.20 0.00 3.82 -7.23 0.23 0.13 120.40 116.73 1k3j s VAL 132 Ca 0.13 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1k3j s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1k3j s VAL 132 CO 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.35 0.88 3.76 2.32 0.00 -1.26 0.12 105.19 111.36 1k3j n GLY 133 Ca -0.16 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.20 3.64 0.00 1.61 1.01 -1.26 -3.59 120.40 119.61 1k3j s VAL 134 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1k3j s VAL 134 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1k3j s VAL 134 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1k3j n GLY 135 N 1.19 2.57 3.02 4.51 0.00 -1.26 -4.97 105.19 110.24 1k3j n GLY 135 Ca -0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 0.48 1.61 1.01 -1.26 -5.01 120.40 118.60 1k3j s VAL 136 Ca 0.00 -0.56 0.26 0.00 0.00 0.00 0.00 61.98 61.68 1k3j s VAL 136 Cb 0.00 -1.29 0.45 0.00 0.00 0.00 0.00 36.38 35.54 1k3j s VAL 136 CO 0.00 0.42 1.84 -0.08 0.00 0.00 0.00 175.10 177.28 1k3j h GLU 137 N 7.56 0.18 -0.33 2.72 4.22 -1.99 0.61 114.58 127.56 1k3j h GLU 137 Ca -0.32 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.11 1k3j h GLU 137 Cb 1.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1k3j h GLU 137 CO 0.48 0.12 0.00 0.45 -2.18 0.00 0.00 179.01 177.88 1k3j n SER 138 N -4.40 2.45 -1.04 1.04 2.88 -1.26 -4.19 113.62 109.10 1k3j n SER 138 Ca 0.21 -1.88 0.04 0.00 -1.33 0.00 0.00 58.87 55.91 1k3j n SER 138 Cb 0.91 -0.22 0.13 0.00 -0.75 0.00 0.00 64.21 64.28 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k3j n ASP 139 N 0.83 1.56 -4.67 -3.46 -0.08 0.21 -5.04 116.55 105.91 1k3j n ASP 139 Ca 0.17 -3.15 -0.35 0.00 -1.51 0.00 0.00 54.79 49.95 1k3j n ASP 139 Cb 0.43 -0.44 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k3j s ILE 140 N -2.10 4.27 -0.06 5.18 1.01 -1.17 -4.43 121.20 123.90 1k3j s ILE 140 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1k3j s ILE 140 Cb 0.38 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1k3j s ILE 140 CO -0.10 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 175.00 1k3j s LEU 141 N -0.82 2.00 0.11 2.97 0.20 0.12 -4.98 118.68 118.28 1k3j s LEU 141 Ca 0.13 -0.46 0.06 0.00 0.69 0.00 0.00 54.13 54.55 1k3j s LEU 141 Cb -0.11 -1.22 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 1k3j s LEU 141 CO 0.02 0.19 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.68 1k3j s SER 142 N 0.01 4.72 0.04 3.68 0.15 -1.26 0.76 113.70 121.81 1k3j s SER 142 Ca -0.06 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.31 1k3j s SER 142 Cb -0.14 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.13 1k3j s SER 142 CO 0.04 0.16 -0.08 -0.76 1.20 0.00 0.00 173.24 173.81 1k3j s LEU 143 N -2.35 2.24 -0.07 3.45 2.01 0.13 -3.68 118.68 120.41 1k3j s LEU 143 Ca 0.24 -0.52 0.05 0.00 0.01 0.00 0.00 54.13 53.90 1k3j s LEU 143 Cb -0.11 -0.17 -0.02 0.00 0.01 0.00 0.00 46.19 45.90 1k3j s LEU 143 CO 0.16 -0.19 -0.20 -0.69 1.01 0.00 0.00 176.35 176.44 1k3j s VAL 144 N -1.31 2.47 -0.21 -1.59 1.01 0.34 0.86 120.40 121.97 1k3j s VAL 144 Ca -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1k3j s VAL 144 Cb -0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1k3j s VAL 144 CO 0.00 0.57 0.04 -0.63 0.00 0.00 0.00 175.10 175.08 1k3j s ILE 145 N -0.24 4.27 -0.08 2.22 1.01 0.26 0.79 121.20 129.44 1k3j s ILE 145 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1k3j s ILE 145 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1k3j s ILE 145 CO 0.03 0.41 -0.02 0.12 0.00 0.00 0.00 174.94 175.48 1k3j s PHE 146 N 1.03 3.10 -0.14 3.97 2.19 0.36 -2.46 117.98 126.02 1k3j s PHE 146 Ca 0.03 0.13 -0.05 0.00 0.33 0.00 0.00 56.93 57.38 1k3j s PHE 146 Cb -0.14 -1.77 -0.04 0.00 -1.31 0.00 0.00 43.02 39.76 1k3j s PHE 146 CO 0.02 0.42 0.03 0.42 1.83 0.00 0.00 175.22 177.94 1k3j s ILE 147 N -0.82 4.49 -0.41 3.12 1.09 -1.26 0.93 121.20 128.33 1k3j s ILE 147 Ca 0.13 -0.16 -0.25 0.00 -1.10 0.00 0.00 60.65 59.27 1k3j s ILE 147 Cb -0.11 -2.96 0.02 0.00 -1.06 0.00 0.00 42.46 38.34 1k3j s ILE 147 CO 0.02 0.53 0.87 0.21 -0.10 0.00 0.00 174.94 176.47 1k3j s ASN 148 N -0.16 6.54 0.56 3.58 2.47 -1.19 -4.91 114.94 121.83 1k3j s ASN 148 Ca 0.06 0.26 0.24 0.00 0.42 0.00 0.00 52.86 53.85 1k3j s ASN 148 Cb -0.12 -2.43 1.50 0.00 -1.45 0.00 0.00 41.25 38.75 1k3j s ASN 148 CO 0.02 -0.90 2.11 -2.24 -3.72 0.00 0.00 177.10 172.36 1k3j h ASP 149 N 8.76 0.00 -0.38 -4.21 3.04 -1.93 -1.75 116.42 119.94 1k3j h ASP 149 Ca -0.24 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1k3j h ASP 149 Cb 1.08 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.35 1k3j h ASP 149 CO 0.98 0.00 0.23 0.50 -2.04 0.00 0.00 179.24 178.91 1k3j h LYS 150 N 0.00 0.52 -0.59 4.15 1.63 -1.91 -0.54 116.57 119.83 1k3j h LYS 150 Ca 0.09 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1k3j h LYS 150 Cb 0.43 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1k3j h LYS 150 CO -0.00 0.38 0.39 0.35 -3.45 0.00 0.00 179.45 177.12 1k3j h PHE 151 N 0.50 0.74 -0.63 1.91 3.57 -1.52 -2.17 116.94 119.34 1k3j h PHE 151 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1k3j h PHE 151 Cb -0.00 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1k3j h PHE 151 CO -0.04 0.46 0.17 0.87 -2.23 0.00 0.00 178.31 177.54 1k3j h LYS 152 N 0.80 1.00 -0.73 1.11 1.57 -1.42 -2.57 116.57 116.33 1k3j h LYS 152 Ca 0.22 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1k3j h LYS 152 Cb -0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1k3j h LYS 152 CO -0.05 0.90 0.48 0.37 -0.57 0.00 0.00 179.45 180.58 1k3j h GLN 153 N 0.92 0.90 -0.33 3.15 4.15 -0.72 -0.95 115.11 122.23 1k3j h GLN 153 Ca 0.20 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1k3j h GLN 153 Cb 0.34 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1k3j h GLN 153 CO -0.00 0.59 -0.08 0.00 -1.93 0.00 0.00 178.83 177.41 1k3j h LEU 155 N 0.42 0.79 -0.96 0.00 -0.00 -1.04 0.87 115.31 115.39 1k3j h LEU 155 Ca 0.08 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.75 1k3j h LEU 155 Cb 0.58 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 1k3j h LEU 155 CO 0.03 0.82 0.25 -0.08 -0.00 0.00 0.00 178.44 179.47 1k3j h GLU 156 N 0.78 1.01 0.10 1.13 4.57 -1.08 -3.06 114.58 118.03 1k3j h GLU 156 Ca 0.16 -0.18 -0.32 0.00 -1.18 0.00 0.00 59.36 57.84 1k3j h GLU 156 Cb 0.40 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1k3j h GLU 156 CO 0.01 0.83 -1.69 1.96 -1.18 0.00 0.00 179.01 178.94 1k3j h GLN 157 N 0.98 0.20 -6.99 1.92 4.20 -1.14 -3.48 115.11 110.80 1k3j h GLN 157 Ca 0.23 -0.35 -0.59 0.00 0.06 0.00 0.00 58.65 57.99 1k3j h GLN 157 Cb 0.22 0.13 -0.26 0.00 0.30 0.00 0.00 27.48 27.86 1k3j h GLN 157 CO -0.02 1.02 -0.91 0.27 -0.67 0.00 0.00 178.83 178.53 1k3j n ASN 158 N -3.38 -1.28 -3.98 1.46 0.23 0.30 -4.92 115.26 103.69 1k3j n ASN 158 Ca -0.21 -1.17 -0.30 0.00 -0.53 0.00 0.00 54.58 52.37 1k3j n ASN 158 Cb 1.05 -2.03 -0.16 0.00 -2.08 0.00 0.00 39.78 36.56 1k3j n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1k3j s LYS 159 N -7.13 1.93 0.08 -3.83 -2.85 -1.26 -5.09 119.74 101.59 1k3j s LYS 159 Ca 0.50 -0.84 -0.22 0.00 -1.00 0.00 0.00 55.97 54.41 1k3j s LYS 159 Cb -0.29 -2.41 -0.07 0.00 -2.06 0.00 0.00 37.83 33.00 1k3j s LYS 159 CO 0.98 -0.45 0.66 0.54 0.10 0.00 0.00 175.35 177.18 1k3j s VAL 160 N 1.41 4.66 -0.32 1.79 0.11 -1.26 -5.03 120.40 121.77 1k3j s VAL 160 Ca -0.02 1.42 -0.04 0.00 -2.93 0.00 0.00 61.98 60.41 1k3j s VAL 160 Cb -0.17 -4.00 0.19 0.00 -1.53 0.00 0.00 36.38 30.87 1k3j s VAL 160 CO -0.08 0.50 0.88 -0.62 -3.33 0.00 0.00 175.10 172.45 1k3j s ASP 161 N -0.81 -0.84 0.08 3.54 2.15 -1.26 -5.05 116.67 114.49 1k3j s ASP 161 Ca 0.33 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1k3j s ASP 161 Cb -0.20 1.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 1k3j s ASP 161 CO 0.21 -0.13 0.00 0.54 -0.17 0.00 0.00 175.17 175.62 1k3j n ARG 162 N 4.80 0.00 -3.67 4.34 1.74 -1.26 -5.09 116.66 117.53 1k3j n ARG 162 Ca 0.08 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1k3j n ARG 162 Cb 0.58 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.95 1k3j n ARG 162 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1k3j s ILE 163 N -2.00 5.36 -2.11 0.55 2.07 -1.26 -5.39 121.20 118.43 1k3j s ILE 163 Ca 0.00 0.38 0.31 0.00 -1.41 0.00 0.00 60.65 59.93 1k3j s ILE 163 Cb 0.00 -3.54 0.83 0.00 0.13 0.00 0.00 42.46 39.89 1k3j s ILE 163 CO 0.00 0.47 2.13 -2.11 -1.91 0.00 0.00 174.94 173.51