#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 0.26 -0.04 0.00 -2.24 -1.26 -4.73 114.28 106.27 1k3j n THR 15 Ca 0.00 0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1k3j n THR 15 Cb 0.00 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.25 -0.45 -0.78 4.20 -2.06 -2.77 115.11 113.50 1k3j h GLN 16 Ca 0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1k3j h GLN 16 Cb 0.00 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1k3j h GLN 16 CO 0.00 0.78 0.27 0.00 -0.67 0.00 0.00 178.83 179.21 1k3j h ARG 17 N -0.24 0.53 -0.51 1.46 3.08 -2.00 -1.93 114.38 114.78 1k3j h ARG 17 Ca -0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1k3j h ARG 17 Cb 0.78 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1k3j h ARG 17 CO 0.04 0.35 0.34 0.35 -1.07 0.00 0.00 179.97 179.98 1k3j h PHE 18 N 0.55 0.63 -0.63 3.04 3.04 -1.85 -1.17 116.94 120.55 1k3j h PHE 18 Ca 0.18 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 1k3j h PHE 18 Cb -0.00 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 1k3j h PHE 18 CO -0.06 0.40 0.10 1.25 -2.02 0.00 0.00 178.31 177.97 1k3j h LEU 19 N 0.68 1.00 -0.08 0.59 6.46 -1.07 -1.49 115.31 121.41 1k3j h LEU 19 Ca 0.19 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1k3j h LEU 19 Cb -0.08 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.58 1k3j h LEU 19 CO -0.04 1.01 -0.05 0.40 -0.62 0.00 0.00 178.44 179.14 1k3j h ILE 20 N 0.96 1.34 -0.39 4.05 1.08 -0.84 -3.12 117.51 120.60 1k3j h ILE 20 Ca 0.19 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1k3j h ILE 20 Cb 0.44 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 1k3j h ILE 20 CO 0.01 0.31 0.26 -0.33 -0.69 0.00 0.00 178.15 177.71 1k3j h GLU 21 N -0.21 0.48 -0.34 2.37 5.08 -1.20 -2.30 114.58 118.47 1k3j h GLU 21 Ca 0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1k3j h GLU 21 Cb 0.52 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1k3j h GLU 21 CO 0.01 0.32 0.18 -0.22 -1.00 0.00 0.00 179.01 178.30 1k3j h LYS 22 N 0.50 0.36 -0.07 2.33 3.64 -1.20 0.34 116.57 122.47 1k3j h LYS 22 Ca 0.15 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1k3j h LYS 22 Cb -0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1k3j h LYS 22 CO -0.03 0.24 -0.16 0.27 -2.27 0.00 0.00 179.45 177.50 1k3j h PHE 23 N 0.37 0.29 -0.37 1.91 -5.15 -1.51 -3.28 116.94 109.20 1k3j h PHE 23 Ca 0.14 -0.11 0.02 0.00 -0.20 0.00 0.00 57.97 57.82 1k3j h PHE 23 Cb 0.03 -0.05 -0.03 0.00 0.22 0.00 0.00 35.95 36.12 1k3j h PHE 23 CO -0.09 0.77 0.19 0.77 -2.00 0.00 0.00 178.31 177.95 1k3j h SER 24 N -0.27 0.29 -3.80 -0.68 0.02 -1.34 -3.38 113.55 104.39 1k3j h SER 24 Ca -0.00 0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.31 1k3j h SER 24 Cb 0.76 -0.04 -0.38 0.00 0.14 0.00 0.00 62.40 62.88 1k3j h SER 24 CO 0.04 0.21 -0.79 -1.10 -1.14 0.00 0.00 176.83 174.05 1k3j s GLN 25 N -6.16 2.04 0.18 3.45 -1.52 0.12 -5.09 119.66 112.68 1k3j s GLN 25 Ca -0.13 -1.33 -0.31 0.00 -1.95 0.00 0.00 55.36 51.64 1k3j s GLN 25 Cb 0.11 -2.86 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 1k3j s GLN 25 CO 0.72 -0.61 1.47 -1.21 -0.25 0.00 0.00 175.29 175.40 1k3j s GLU 26 N 1.14 4.27 -0.46 2.91 0.41 -1.24 -4.34 118.70 121.39 1k3j s GLU 26 Ca -0.06 2.25 -0.17 0.00 -0.41 0.00 0.00 54.97 56.58 1k3j s GLU 26 Cb -0.20 -3.17 0.05 0.00 -1.78 0.00 0.00 34.13 29.03 1k3j s GLU 26 CO -0.06 -0.49 0.46 1.14 -0.49 0.00 0.00 175.26 175.82 1k3j s GLN 27 N 0.64 3.04 0.17 1.61 -2.07 -1.26 -5.05 119.66 116.73 1k3j s GLN 27 Ca 0.65 -1.06 -0.28 0.00 -1.82 0.00 0.00 55.36 52.85 1k3j s GLN 27 Cb -0.41 -4.07 -0.08 0.00 -1.09 0.00 0.00 33.01 27.37 1k3j s GLN 27 CO 0.35 -1.01 0.87 0.42 -1.32 0.00 0.00 175.29 174.59 1k3j s ILE 28 N 2.02 4.33 -0.35 3.63 -1.09 -1.26 -4.97 121.20 123.52 1k3j s ILE 28 Ca 0.09 1.90 0.01 0.00 -2.23 0.00 0.00 60.65 60.42 1k3j s ILE 28 Cb -0.21 -4.24 0.29 0.00 -1.58 0.00 0.00 42.46 36.73 1k3j s ILE 28 CO 0.10 0.46 1.26 0.61 -1.23 0.00 0.00 174.94 176.14 1k3j n GLY 29 N 1.78 -1.41 0.17 6.18 0.00 -1.26 -4.99 105.19 105.66 1k3j n GLY 29 Ca -0.02 0.84 -0.19 0.00 0.00 0.00 0.00 46.02 46.65 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 2.88 0.56 0.00 1.61 4.22 -2.01 -3.43 114.58 118.40 1k3j h GLU 30 Ca -0.25 -0.68 0.00 0.00 0.08 0.00 0.00 59.36 58.51 1k3j h GLU 30 Cb 1.19 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1k3j h GLU 30 CO -0.07 1.28 0.00 -1.71 -2.18 0.00 0.00 179.01 176.33 1k3j n ASN 31 N -3.77 0.00 -4.74 1.04 2.85 -1.26 -5.07 115.26 104.31 1k3j n ASN 31 Ca -0.11 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.95 1k3j n ASN 31 Cb 0.93 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.91 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k3j s ILE 32 N 0.00 3.42 -0.16 -1.44 -1.09 -1.26 -0.85 121.20 119.81 1k3j s ILE 32 Ca 0.00 1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 59.54 1k3j s ILE 32 Cb 0.00 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1k3j s ILE 32 CO 0.00 0.22 -0.17 0.52 -1.23 0.00 0.00 174.94 174.28 1k3j n VAL 33 N 2.17 1.45 -3.75 2.92 0.31 0.17 -4.50 118.33 117.09 1k3j n VAL 33 Ca 0.03 0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 1k3j n VAL 33 Cb 0.44 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 30.97 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 -2.30 2.66 -0.24 0.00 3.52 0.28 -1.17 118.95 121.70 1k3j s ARG 35 Ca -0.07 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 54.76 1k3j s ARG 35 Cb -0.02 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 1k3j s ARG 35 CO -0.02 0.56 0.11 0.08 -0.81 0.00 0.00 175.30 175.22 1k3j s VAL 36 N -0.56 4.79 -0.13 7.11 1.01 -1.07 0.11 120.40 131.66 1k3j s VAL 36 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1k3j s VAL 36 Cb -0.11 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1k3j s VAL 36 CO 0.01 0.35 -0.09 -0.63 0.00 0.00 0.00 175.10 174.74 1k3j s ILE 37 N 1.29 1.17 -0.27 2.22 1.01 0.23 -2.79 121.20 124.05 1k3j s ILE 37 Ca 0.06 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 1k3j s ILE 37 Cb -0.15 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1k3j s ILE 37 CO 0.05 0.35 0.85 0.00 0.00 0.00 0.00 174.94 176.19 1k3j h THR 39 N 5.52 0.26 0.00 0.00 1.35 -1.93 -3.29 112.91 114.83 1k3j h THR 39 Ca -0.23 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1k3j h THR 39 Cb 1.09 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1k3j h THR 39 CO 0.90 0.15 0.00 0.35 -0.25 0.00 0.00 175.52 176.66 1k3j n THR 40 N -2.92 0.00 -2.76 6.82 -2.24 -1.26 -4.95 114.28 106.98 1k3j n THR 40 Ca -0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1k3j n THR 40 Cb 0.64 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.08 -1.13 0.66 3.38 0.00 -1.24 -4.98 105.19 102.96 1k3j n GLY 41 Ca 0.20 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1k3j n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k3j n GLN 42 N -1.23 0.00 -4.95 1.61 6.02 -1.26 -5.11 117.38 112.45 1k3j n GLN 42 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 1k3j n GLN 42 Cb 0.46 -0.25 -0.14 0.00 1.02 0.00 0.00 30.24 31.34 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 -1.33 2.81 0.39 5.09 1.01 -1.26 -4.92 121.20 123.00 1k3j s ILE 43 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 1k3j s ILE 43 Cb 0.00 -2.09 -0.09 0.00 0.01 0.00 0.00 42.46 40.29 1k3j s ILE 43 CO 0.00 0.56 1.03 -2.16 0.00 0.00 0.00 174.94 174.37 1k3j s PRO 44 N -0.79 4.22 0.58 2.79 0.04 -1.26 -4.25 135.00 136.33 1k3j s PRO 44 Ca 0.12 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 1k3j s PRO 44 Cb -0.10 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1k3j s PRO 44 CO 0.01 -0.09 1.16 -0.89 0.04 0.00 0.00 177.00 177.23 1k3j n ILE 45 N -0.04 3.92 -4.12 0.56 5.41 -1.26 -4.89 119.36 118.94 1k3j n ILE 45 Ca 0.05 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.21 1k3j n ILE 45 Cb 0.50 -1.38 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 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 -2.87 0.74 -0.20 0.38 3.52 -1.12 -5.03 118.95 114.37 1k3j s ARG 46 Ca 0.75 -1.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1k3j s ARG 46 Cb -0.42 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.14 1k3j s ARG 46 CO 0.47 -0.15 -0.11 0.16 -0.81 0.00 0.00 175.30 174.86 1k3j s ASP 47 N -2.98 3.78 -0.11 -2.12 1.47 -1.26 -2.61 116.67 112.84 1k3j s ASP 47 Ca 0.13 -0.53 -0.13 0.00 1.18 0.00 0.00 52.55 53.20 1k3j s ASP 47 Cb 0.08 -1.62 -0.05 0.00 -0.34 0.00 0.00 42.92 40.99 1k3j s ASP 47 CO -0.05 -0.02 0.31 -0.76 0.68 0.00 0.00 175.17 175.33 1k3j s LEU 48 N 1.39 4.33 0.06 2.11 1.43 -0.31 -5.02 118.68 122.67 1k3j s LEU 48 Ca 0.05 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.72 1k3j s LEU 48 Cb -0.14 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 1k3j s LEU 48 CO -0.08 0.21 0.16 -0.94 0.23 0.00 0.00 176.35 175.93 1k3j s SER 49 N -0.20 0.13 -0.04 2.29 1.04 -1.26 0.44 113.70 116.10 1k3j s SER 49 Ca 0.19 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 1k3j s SER 49 Cb -0.14 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1k3j s SER 49 CO 0.07 -0.63 0.12 0.00 0.98 0.00 0.00 173.24 173.79 1k3j s ALA 50 N -3.24 -0.30 0.31 5.32 0.00 -0.03 -4.78 121.76 119.04 1k3j s ALA 50 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.93 1k3j s ALA 50 Cb 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1k3j s ALA 50 CO -0.08 -0.09 1.08 -0.51 0.00 0.00 0.00 175.76 176.16 1k3j s ASP 51 N -0.22 7.13 0.12 0.00 1.11 -1.26 -4.68 116.67 118.86 1k3j s ASP 51 Ca -0.03 2.18 -0.16 0.00 0.18 0.00 0.00 52.55 54.72 1k3j s ASP 51 Cb -0.02 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 1k3j s ASP 51 CO 0.00 -0.24 1.61 0.40 1.18 0.00 0.00 175.17 178.12 1k3j h ILE 52 N 2.82 1.23 -0.79 0.77 2.04 -1.97 -2.47 117.51 119.14 1k3j h ILE 52 Ca -0.47 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 64.61 1k3j h ILE 52 Cb 1.21 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1k3j h ILE 52 CO 0.65 0.28 0.50 -1.28 0.00 0.00 0.00 178.15 178.30 1k3j h SER 53 N 0.46 0.82 -0.20 1.72 0.87 -1.98 0.42 113.55 115.65 1k3j h SER 53 Ca 0.11 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 1k3j h SER 53 Cb 0.34 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1k3j h SER 53 CO 0.00 0.56 -0.28 0.06 -0.53 0.00 0.00 176.83 176.64 1k3j h GLN 54 N 0.97 0.69 -0.23 2.24 3.07 -1.96 0.10 115.11 120.00 1k3j h GLN 54 Ca 0.32 -0.30 -0.16 0.00 0.09 0.00 0.00 58.65 58.60 1k3j h GLN 54 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1k3j h GLN 54 CO -0.12 0.89 -0.47 0.28 0.09 0.00 0.00 178.83 179.51 1k3j h VAL 55 N 0.59 1.31 -0.26 1.86 2.07 -0.88 -0.91 116.25 120.03 1k3j h VAL 55 Ca 0.07 -1.68 -0.17 0.00 0.82 0.00 0.00 66.70 65.74 1k3j h VAL 55 Cb 0.78 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1k3j h VAL 55 CO 0.06 0.53 -0.53 0.25 0.02 0.00 0.00 177.57 177.91 1k3j h LEU 56 N 0.43 0.83 -0.23 2.57 6.46 -0.12 -3.24 115.31 122.02 1k3j h LEU 56 Ca 0.01 -0.43 -0.10 0.00 -0.12 0.00 0.00 57.88 57.23 1k3j h LEU 56 Cb 1.08 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1k3j h LEU 56 CO 0.10 1.20 -0.23 0.50 -0.62 0.00 0.00 178.44 179.39 1k3j h LYS 57 N 0.58 0.57 -6.36 1.25 3.11 -0.81 -3.43 116.57 111.48 1k3j h LYS 57 Ca 0.02 -0.30 -0.55 0.00 -2.81 0.00 0.00 60.65 57.01 1k3j h LYS 57 Cb 1.11 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.32 1k3j h LYS 57 CO 0.11 0.89 0.47 -2.00 -2.81 0.00 0.00 179.45 176.11 1k3j s GLU 58 N -4.33 4.49 -0.05 1.90 2.56 -0.35 -4.92 118.70 118.00 1k3j s GLU 58 Ca -0.13 1.46 0.24 0.00 0.00 0.00 0.00 54.97 56.54 1k3j s GLU 58 Cb 0.07 -3.48 0.44 0.00 2.00 0.00 0.00 34.13 33.16 1k3j s GLU 58 CO 0.80 -0.17 1.17 0.36 -0.56 0.00 0.00 175.26 176.86 1k3j n LYS 59 N 4.32 0.38 -0.05 4.30 0.00 -1.26 -4.77 118.16 121.08 1k3j n LYS 59 Ca 0.07 -2.31 -0.03 0.00 -0.00 0.00 0.00 58.31 56.05 1k3j n LYS 59 Cb 0.50 -0.35 -0.01 0.00 -0.00 0.00 0.00 35.03 35.17 1k3j n LYS 59 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1k3j h ARG 60 N 1.17 0.00 0.00 -1.58 2.43 -1.96 -3.50 114.38 110.94 1k3j h ARG 60 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1k3j h ARG 60 Cb 1.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1k3j h ARG 60 CO 0.11 0.00 0.00 0.45 -1.51 0.00 0.00 179.97 179.02 1k3j n SER 61 N -3.89 -0.02 -4.55 -3.80 2.88 -1.26 -5.07 113.62 97.91 1k3j n SER 61 Ca -0.04 0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.22 1k3j n SER 61 Cb 0.15 0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 1k3j n SER 61 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1k3j s ILE 62 N -2.00 3.19 0.19 2.46 -1.09 -1.26 -4.22 121.20 118.46 1k3j s ILE 62 Ca 0.00 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1k3j s ILE 62 Cb 0.00 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1k3j s ILE 62 CO 0.00 0.10 0.00 0.29 -1.23 0.00 0.00 174.94 174.10 1k3j n LYS 63 N 0.70 0.00 -3.78 2.79 4.01 -0.75 -4.94 118.16 116.19 1k3j n LYS 63 Ca -0.14 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.51 1k3j n LYS 63 Cb 0.53 -0.25 -0.16 0.00 -0.51 0.00 0.00 35.03 34.64 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 -2.00 -0.02 -0.02 1.97 2.20 -1.17 -5.01 119.74 115.69 1k3j s LYS 64 Ca 0.00 0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.84 1k3j s LYS 64 Cb 0.00 -0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1k3j s LYS 64 CO 0.00 -0.15 -0.16 0.08 -0.36 0.00 0.00 175.35 174.77 1k3j s VAL 65 N 0.95 1.25 -0.12 4.02 1.01 -1.26 -0.52 120.40 125.73 1k3j s VAL 65 Ca -0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1k3j s VAL 65 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1k3j s VAL 65 CO -0.03 0.36 0.12 0.26 0.00 0.00 0.00 175.10 175.81 1k3j s TRP 66 N -0.28 3.52 -0.12 5.22 0.51 0.54 -4.87 118.94 123.46 1k3j s TRP 66 Ca 0.04 0.46 -0.00 0.00 -2.12 0.00 0.00 56.10 54.48 1k3j s TRP 66 Cb -0.07 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.64 1k3j s TRP 66 CO -0.00 0.67 -0.11 0.99 -0.51 0.00 0.00 176.95 177.98 1k3j s THR 67 N -0.91 3.23 0.05 2.01 2.01 -1.26 0.16 115.64 120.94 1k3j s THR 67 Ca 0.14 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.62 1k3j s THR 67 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1k3j s THR 67 CO 0.03 0.53 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.91 1k3j s PHE 68 N 0.17 2.43 -5.00 4.92 0.40 0.50 0.64 117.98 122.03 1k3j s PHE 68 Ca -0.06 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1k3j s PHE 68 Cb -0.15 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1k3j s PHE 68 CO 0.04 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.58 1k3j n GLY 69 N 1.59 -1.74 0.00 4.36 0.00 -0.87 0.15 105.19 108.68 1k3j n GLY 69 Ca -0.17 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.23 0.39 -2.93 1.61 3.00 0.18 -2.62 116.66 116.06 1k3j n ARG 70 Ca 0.00 0.07 -0.41 0.00 -0.01 0.00 0.00 57.85 57.50 1k3j n ARG 70 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 30.92 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1k3j s ASN 71 N -2.37 7.08 0.00 0.55 2.47 -0.35 -4.87 114.94 117.45 1k3j s ASN 71 Ca 0.22 1.31 0.11 0.00 0.42 0.00 0.00 52.86 54.91 1k3j s ASN 71 Cb 0.13 -2.46 0.46 0.00 -1.45 0.00 0.00 41.25 37.93 1k3j s ASN 71 CO 0.26 -0.20 1.32 -2.65 -3.72 0.00 0.00 177.10 172.11 1k3j n PRO 72 N 4.07 0.02 0.06 0.43 -0.02 -1.26 -1.82 135.00 136.48 1k3j n PRO 72 Ca 0.02 0.30 -0.22 0.00 -2.02 0.00 0.00 63.50 61.58 1k3j n PRO 72 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 1k3j n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3j h ALA 73 N 2.39 0.02 -1.03 3.55 0.00 -1.94 -3.47 119.26 118.78 1k3j h ALA 73 Ca 0.00 -0.92 -0.69 0.00 0.00 0.00 0.00 54.91 53.30 1k3j h ALA 73 Cb 0.17 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.35 1k3j h ALA 73 CO 0.00 0.67 -0.40 0.00 0.00 0.00 0.00 179.25 179.52 1k3j h ASP 75 N 1.39 0.00 -3.36 0.00 1.82 -0.11 -3.38 116.42 112.78 1k3j h ASP 75 Ca -0.32 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.82 1k3j h ASP 75 Cb 1.43 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 41.10 1k3j h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.94 1k3j s TYR 76 N -3.96 1.35 -0.26 0.28 5.04 0.87 -4.89 117.35 115.78 1k3j s TYR 76 Ca -0.04 -0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 53.96 1k3j s TYR 76 Cb 0.09 -1.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 1k3j s TYR 76 CO 0.29 -0.33 0.15 -1.58 -1.34 0.00 0.00 175.55 172.75 1k3j s HIS 77 N 0.99 3.20 0.00 4.97 2.46 -1.26 -2.05 115.29 123.60 1k3j s HIS 77 Ca -0.09 0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1k3j s HIS 77 Cb -0.15 -2.32 0.00 0.00 -0.13 0.00 0.00 32.58 29.99 1k3j s HIS 77 CO -0.00 -0.16 0.00 1.28 -2.47 0.00 0.00 174.74 173.39 1k3j n LEU 78 N 4.85 0.50 0.00 8.88 4.32 -1.08 -4.75 117.00 129.73 1k3j n LEU 78 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1k3j n LEU 78 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1k3j n LEU 78 CO 0.33 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1k3j n GLY 79 N 2.62 2.33 2.49 -0.72 0.00 -1.26 -4.68 105.19 105.98 1k3j n GLY 79 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N 0.00 2.23 -4.44 1.61 0.23 -1.26 -4.59 115.26 109.03 1k3j n ASN 80 Ca 0.00 -3.20 -0.36 0.00 -0.53 0.00 0.00 54.58 50.50 1k3j n ASN 80 Cb 0.00 -0.57 -0.13 0.00 -2.08 0.00 0.00 39.78 37.00 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 -3.36 4.17 0.56 1.53 1.01 -1.26 -4.98 121.20 118.88 1k3j s ILE 81 Ca 0.41 -0.22 0.30 0.00 0.00 0.00 0.00 60.65 61.14 1k3j s ILE 81 Cb 0.36 -2.93 0.35 0.00 0.01 0.00 0.00 42.46 40.25 1k3j s ILE 81 CO -0.08 0.37 2.23 0.28 0.00 0.00 0.00 174.94 177.74 1k3j h SER 82 N 7.98 0.00 0.03 3.58 0.02 -2.00 -2.12 113.55 121.05 1k3j h SER 82 Ca -0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1k3j h SER 82 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1k3j h SER 82 CO 0.59 0.02 -0.02 0.03 -1.14 0.00 0.00 176.83 176.32 1k3j h ARG 83 N 0.00 0.00 -6.24 3.45 2.47 -1.93 -3.42 114.38 108.71 1k3j h ARG 83 Ca -0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1k3j h ARG 83 Cb 0.06 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.29 1k3j h ARG 83 CO 0.00 0.02 -0.60 -0.51 0.56 0.00 0.00 179.97 179.44 1k3j s LEU 84 N -8.07 3.66 0.59 3.04 1.02 -0.80 -4.39 118.68 113.73 1k3j s LEU 84 Ca -0.05 -0.17 -0.03 0.00 0.02 0.00 0.00 54.13 53.91 1k3j s LEU 84 Cb 0.16 -2.31 0.03 0.00 0.02 0.00 0.00 46.19 44.08 1k3j s LEU 84 CO 0.59 0.10 0.86 -0.94 0.02 0.00 0.00 176.35 176.98 1k3j s SER 85 N -2.84 5.32 0.20 2.29 1.04 -1.26 -4.86 113.70 113.59 1k3j s SER 85 Ca 0.29 0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.87 1k3j s SER 85 Cb -0.10 -1.26 0.15 0.00 0.10 0.00 0.00 66.02 64.91 1k3j s SER 85 CO 0.22 -1.18 1.56 0.78 0.98 0.00 0.00 173.24 175.60 1k3j h ASN 86 N -0.12 -1.42 -3.62 7.02 2.35 -1.93 -2.69 115.58 115.16 1k3j h ASN 86 Ca -0.44 0.28 -0.64 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.28 0.71 -0.40 0.00 0.05 0.00 0.00 38.32 39.96 1k3j h ASN 86 CO 0.57 -0.30 -0.52 -0.54 -1.65 0.00 0.00 177.43 175.00 1k3j s LYS 87 N -5.91 2.42 0.14 0.81 3.01 -1.26 0.49 119.74 119.44 1k3j s LYS 87 Ca -0.14 -3.05 -0.17 0.00 -1.01 0.00 0.00 55.97 51.60 1k3j s LYS 87 Cb 0.17 -3.48 -0.00 0.00 -1.01 0.00 0.00 37.83 33.51 1k3j s LYS 87 CO 0.69 -1.22 1.79 1.25 0.51 0.00 0.00 175.35 178.38 1k3j h HIS 88 N 5.94 0.47 -3.83 3.18 2.76 0.17 -3.35 115.15 120.49 1k3j h HIS 88 Ca 0.06 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 1k3j h HIS 88 Cb 0.82 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.48 1k3j h HIS 88 CO 0.64 0.31 -0.37 -0.59 -1.30 0.00 0.00 177.93 176.62 1k3j s PHE 89 N -6.09 0.18 0.01 5.26 -0.71 -0.66 0.16 117.98 116.13 1k3j s PHE 89 Ca -0.13 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.17 1k3j s PHE 89 Cb 0.10 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1k3j s PHE 89 CO 0.72 -0.56 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.84 1k3j s GLN 90 N -3.87 0.49 -0.11 1.99 0.74 0.41 0.19 119.66 119.50 1k3j s GLN 90 Ca 0.06 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.12 1k3j s GLN 90 Cb 0.05 -0.41 -0.00 0.00 1.10 0.00 0.00 33.01 33.75 1k3j s GLN 90 CO -0.10 0.10 -0.21 0.42 -0.55 0.00 0.00 175.29 174.95 1k3j s ILE 91 N -0.53 2.31 0.09 -2.34 1.01 0.44 0.19 121.20 122.37 1k3j s ILE 91 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1k3j s ILE 91 Cb -0.05 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1k3j s ILE 91 CO 0.00 0.55 -0.06 -1.48 0.00 0.00 0.00 174.94 173.95 1k3j s LEU 92 N 0.31 3.20 -0.13 2.97 2.34 0.75 0.20 118.68 128.33 1k3j s LEU 92 Ca -0.16 -0.30 0.01 0.00 0.06 0.00 0.00 54.13 53.74 1k3j s LEU 92 Cb -0.17 -1.96 0.02 0.00 -0.56 0.00 0.00 46.19 43.52 1k3j s LEU 92 CO 0.08 0.18 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.19 1k3j s LEU 93 N -2.20 1.68 0.00 1.48 2.96 0.32 -0.77 118.68 122.16 1k3j s LEU 93 Ca 0.23 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1k3j s LEU 93 Cb -0.11 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 93 CO 0.15 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1k3j n GLY 94 N 4.48 4.48 3.64 7.98 0.00 -1.24 -1.81 105.19 122.71 1k3j n GLY 94 Ca -0.18 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 1k3j n GLY 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k3j s GLU 95 N 1.94 -0.20 1.17 1.61 4.04 -1.26 -4.76 118.70 121.24 1k3j s GLU 95 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 54.97 55.32 1k3j s GLU 95 Cb 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 34.13 32.47 1k3j s GLU 95 CO 0.00 -3.11 0.00 -0.25 -1.84 0.00 0.00 175.26 170.06 1k3j n ASP 96 N -4.40 -6.58 -2.40 0.83 8.00 -1.26 -3.77 116.55 106.96 1k3j n ASP 96 Ca 0.08 0.63 -0.26 0.00 0.71 0.00 0.00 54.79 55.95 1k3j n ASP 96 Cb 0.58 -1.79 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 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 -1.73 4.38 3.12 0.44 0.00 -1.26 -4.88 105.19 105.26 1k3j n GLY 97 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1k3j n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3j s ASN 98 N 0.22 2.01 0.27 1.61 -0.87 -1.25 -5.04 114.94 111.90 1k3j s ASN 98 Ca 0.54 -0.33 0.10 0.00 -1.57 0.00 0.00 52.86 51.61 1k3j s ASN 98 Cb 0.37 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.25 41.02 1k3j s ASN 98 CO -0.19 0.14 -0.05 -0.76 -2.57 0.00 0.00 177.10 173.68 1k3j s LEU 99 N 0.03 3.06 0.02 0.60 1.02 -1.26 -3.72 118.68 118.43 1k3j s LEU 99 Ca -0.03 -0.73 0.03 0.00 0.02 0.00 0.00 54.13 53.42 1k3j s LEU 99 Cb -0.11 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 1k3j s LEU 99 CO 0.02 0.01 -0.10 -0.76 0.02 0.00 0.00 176.35 175.53 1k3j s LEU 100 N -3.64 2.11 -0.15 1.79 1.43 0.05 -1.21 118.68 119.07 1k3j s LEU 100 Ca 0.31 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1k3j s LEU 100 Cb -0.06 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.71 1k3j s LEU 100 CO 0.19 0.02 -0.10 -1.48 0.23 0.00 0.00 176.35 175.21 1k3j s LEU 101 N -0.78 2.85 -0.22 1.79 2.34 -0.78 -0.18 118.68 123.70 1k3j s LEU 101 Ca 0.00 -0.30 0.01 0.00 0.06 0.00 0.00 54.13 53.90 1k3j s LEU 101 Cb -0.06 -1.66 0.03 0.00 -0.56 0.00 0.00 46.19 43.94 1k3j s LEU 101 CO 0.00 0.14 -0.13 0.21 -1.06 0.00 0.00 176.35 175.51 1k3j s ASN 102 N 0.52 3.85 0.26 1.48 2.47 0.49 -2.61 114.94 121.41 1k3j s ASN 102 Ca -0.07 -0.93 -0.30 0.00 0.42 0.00 0.00 52.86 51.99 1k3j s ASN 102 Cb -0.15 -1.55 -0.09 0.00 -1.45 0.00 0.00 41.25 38.00 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 1.25 7.50 -0.26 -4.21 1.47 -1.25 0.16 116.67 121.32 1k3j s ASP 103 Ca -0.00 2.08 0.19 0.00 1.18 0.00 0.00 52.55 55.99 1k3j s ASP 103 Cb -0.16 -2.62 0.45 0.00 -0.34 0.00 0.00 42.92 40.25 1k3j s ASP 103 CO -0.08 0.04 1.25 2.30 0.68 0.00 0.00 175.17 179.36 1k3j n ILE 104 N 1.38 0.71 -3.86 2.11 -5.35 -0.55 0.20 119.36 113.99 1k3j n ILE 104 Ca -0.02 -2.02 -0.30 0.00 -0.27 0.00 0.00 62.75 60.14 1k3j n ILE 104 Cb 0.46 1.15 -0.04 0.00 -1.74 0.00 0.00 39.64 39.47 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 -2.68 6.38 0.32 7.28 0.01 0.41 -4.20 113.70 121.22 1k3j s SER 105 Ca 0.20 0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.88 1k3j s SER 105 Cb 0.35 -1.98 0.54 0.00 0.21 0.00 0.00 66.02 65.14 1k3j s SER 105 CO -0.08 0.12 1.74 0.74 0.41 0.00 0.00 173.24 176.17 1k3j h THR 106 N 1.98 1.31 0.00 1.44 2.02 -1.87 -3.11 112.91 114.68 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 69.31 1k3j h THR 106 CO 0.74 0.44 -1.72 0.59 0.37 0.00 0.00 175.52 175.94 1k3j n ASN 107 N -4.03 0.24 0.00 4.18 3.02 -1.26 -5.09 115.26 112.32 1k3j n ASN 107 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1k3j n ASN 107 Cb 0.47 1.58 0.00 0.00 -0.61 0.00 0.00 39.78 41.21 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 1.24 3.07 3.36 7.41 0.00 -1.18 -4.84 105.19 114.26 1k3j n GLY 108 Ca -0.03 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.63 2.48 0.09 2.61 2.01 -1.26 -4.34 115.64 114.59 1k3j s THR 109 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1k3j s THR 109 CO 0.00 0.58 -0.15 0.26 -0.69 0.00 0.00 174.62 174.62 1k3j s TRP 110 N -0.44 2.63 -0.21 4.92 0.51 0.38 -2.67 118.94 124.06 1k3j s TRP 110 Ca 0.05 -0.21 0.01 0.00 -2.12 0.00 0.00 56.10 53.83 1k3j s TRP 110 Cb -0.12 -1.42 0.05 0.00 -0.81 0.00 0.00 33.47 31.17 1k3j s TRP 110 CO 0.01 0.37 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.56 1k3j s LEU 111 N -1.96 2.43 -1.68 2.99 2.96 0.94 0.13 118.68 124.51 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 0.10 -0.16 0.56 0.59 -1.32 0.00 0.00 176.35 176.12 1k3j n ASN 112 N 4.66 -1.81 0.00 3.68 3.02 -1.06 0.86 115.26 124.61 1k3j n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1k3j n ASN 112 Cb 0.46 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 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 -1.60 1.95 3.46 7.41 0.00 -1.26 -5.01 105.19 110.14 1k3j n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1k3j n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.39 3.59 -0.09 1.61 -1.52 0.25 -5.06 119.66 118.05 1k3j s GLN 114 Ca 0.00 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 1k3j s GLN 114 Cb 0.00 -3.44 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1k3j s GLN 114 CO 0.00 -0.26 1.32 0.21 -0.25 0.00 0.00 175.29 176.31 1k3j s LYS 115 N 1.63 4.26 0.46 2.91 2.47 -1.26 -0.04 119.74 130.17 1k3j s LYS 115 Ca 0.06 1.79 0.01 0.00 -1.56 0.00 0.00 55.97 56.27 1k3j s LYS 115 Cb -0.16 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 1k3j s LYS 115 CO 0.05 -0.64 0.67 0.14 0.16 0.00 0.00 175.35 175.74 1k3j s VAL 116 N 3.05 3.77 0.08 4.02 -7.23 -1.09 -4.95 120.40 118.05 1k3j s VAL 116 Ca 0.59 -0.57 -0.31 0.00 -1.81 0.00 0.00 61.98 59.88 1k3j s VAL 116 Cb -0.26 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 33.23 1k3j s VAL 116 CO 0.20 -0.26 1.38 -1.61 -0.31 0.00 0.00 175.10 174.51 1k3j s GLU 117 N -4.55 4.32 1.02 4.82 2.02 -1.26 -4.66 118.70 120.41 1k3j s GLU 117 Ca 0.50 2.02 -0.14 0.00 0.02 0.00 0.00 54.97 57.37 1k3j s GLU 117 Cb -0.10 -3.36 0.11 0.00 0.10 0.00 0.00 34.13 30.88 1k3j s GLU 117 CO 0.37 -0.47 0.49 1.17 0.02 0.00 0.00 175.26 176.84 1k3j n LYS 118 N 4.39 -0.98 -3.06 1.61 4.81 -1.26 -2.30 118.16 121.38 1k3j n LYS 118 Ca 0.12 -0.25 -0.20 0.00 -0.87 0.00 0.00 58.31 57.11 1k3j n LYS 118 Cb 0.43 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 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 -2.36 -1.10 -4.57 3.14 3.02 0.54 -4.85 115.26 109.08 1k3j n ASN 119 Ca 0.05 -0.45 -0.32 0.00 -0.03 0.00 0.00 54.58 53.84 1k3j n ASN 119 Cb 0.56 -0.99 -0.11 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.19 4.47 -0.15 6.41 1.04 -0.97 -4.91 113.70 117.39 1k3j s SER 120 Ca 0.39 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.44 1k3j s SER 120 Cb -0.23 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 1k3j s SER 120 CO 0.47 0.26 0.36 0.20 0.98 0.00 0.00 173.24 175.52 1k3j s ASN 121 N -1.52 6.51 0.07 7.02 -0.87 -1.26 -3.85 114.94 121.05 1k3j s ASN 121 Ca 0.17 0.60 0.06 0.00 -1.57 0.00 0.00 52.86 52.13 1k3j s ASN 121 Cb -0.11 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.25 38.87 1k3j s ASN 121 CO 0.08 0.05 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.40 1k3j s GLN 122 N 0.60 0.92 -0.09 -0.60 -1.52 -1.07 -4.93 119.66 112.97 1k3j s GLN 122 Ca 0.20 -0.98 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 1k3j s GLN 122 Cb -0.14 -0.99 -0.03 0.00 -0.22 0.00 0.00 33.01 31.62 1k3j s GLN 122 CO 0.06 0.23 1.36 -1.17 -0.25 0.00 0.00 175.29 175.52 1k3j s LEU 123 N -1.70 4.25 0.82 2.90 1.98 -1.26 -1.86 118.68 123.81 1k3j s LEU 123 Ca 0.01 1.91 -0.14 0.00 -2.89 0.00 0.00 54.13 53.02 1k3j s LEU 123 Cb -0.10 -3.55 0.02 0.00 0.66 0.00 0.00 46.19 43.23 1k3j s LEU 123 CO 0.03 -0.75 0.69 -0.11 -1.89 0.00 0.00 176.35 174.31 1k3j n LEU 124 N 6.19 1.54 -4.33 -0.68 7.94 -0.35 -4.92 117.00 122.40 1k3j n LEU 124 Ca 0.14 0.50 -0.23 0.00 -1.11 0.00 0.00 56.01 55.31 1k3j n LEU 124 Cb 0.44 -1.30 -0.12 0.00 0.53 0.00 0.00 43.42 42.98 1k3j n LEU 124 CO 0.58 -2.87 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.05 1k3j s SER 125 N -1.84 2.71 -0.07 1.96 0.01 -1.26 -4.93 113.70 110.28 1k3j s SER 125 Ca 0.65 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1k3j s SER 125 Cb -0.29 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1k3j s SER 125 CO 0.59 0.01 1.40 -1.58 0.41 0.00 0.00 173.24 174.07 1k3j s GLN 126 N -2.51 4.25 -2.11 12.44 2.00 -1.26 -2.43 119.66 130.03 1k3j s GLN 126 Ca 0.13 1.90 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 1k3j s GLN 126 Cb -0.07 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 30.00 1k3j s GLN 126 CO 0.06 -0.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.59 1k3j n GLY 127 N 3.73 1.35 3.26 2.59 0.00 -1.14 -4.94 105.19 110.05 1k3j n GLY 127 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.55 -2.44 -3.78 1.61 2.03 -1.02 -4.49 116.55 106.92 1k3j n ASP 128 Ca -0.22 -0.17 -0.13 0.00 0.52 0.00 0.00 54.79 54.80 1k3j n ASP 128 Cb 0.69 -0.94 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 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 -3.48 0.19 -0.14 -0.67 2.12 -1.26 -0.25 118.70 115.21 1k3j s GLU 129 Ca 0.55 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.23 1k3j s GLU 129 Cb -0.11 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.26 1k3j s GLU 129 CO 0.64 -0.09 -0.15 0.42 -0.54 0.00 0.00 175.26 175.54 1k3j s ILE 130 N 0.61 2.79 -0.09 -3.70 1.01 0.43 -2.55 121.20 119.70 1k3j s ILE 130 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1k3j s ILE 130 Cb -0.06 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1k3j s ILE 130 CO -0.03 0.52 0.05 -0.89 0.00 0.00 0.00 174.94 174.59 1k3j s THR 131 N 0.60 4.73 0.05 2.92 2.01 0.36 0.58 115.64 126.89 1k3j s THR 131 Ca -0.08 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1k3j s THR 131 Cb -0.16 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1k3j s THR 131 CO 0.03 0.58 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 1k3j s VAL 132 N -0.96 0.20 0.00 3.82 -7.23 0.26 0.14 120.40 116.63 1k3j s VAL 132 Ca 0.15 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k3j s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1k3j s VAL 132 CO 0.04 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 1k3j n GLY 133 N 0.34 0.80 3.78 2.32 0.00 -1.26 0.50 105.19 111.68 1k3j n GLY 133 Ca -0.16 -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 -2.92 4.42 0.00 1.61 1.01 -1.26 -3.22 120.40 120.04 1k3j s VAL 134 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1k3j s VAL 134 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1k3j s VAL 134 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1k3j n GLY 135 N 1.50 2.80 2.98 4.51 0.00 -1.26 -5.00 105.19 110.72 1k3j n GLY 135 Ca -0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1k3j n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 136 N 0.00 1.37 0.56 1.61 1.01 -1.26 -5.01 120.40 118.68 1k3j s VAL 136 Ca 0.00 -0.50 0.31 0.00 0.00 0.00 0.00 61.98 61.79 1k3j s VAL 136 Cb 0.00 -1.31 0.46 0.00 0.00 0.00 0.00 36.38 35.53 1k3j s VAL 136 CO 0.00 0.42 1.85 1.05 0.00 0.00 0.00 175.10 178.42 1k3j h GLU 137 N 8.08 0.00 -0.34 2.72 -0.00 -1.98 0.74 114.58 123.79 1k3j h GLU 137 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 1k3j h GLU 137 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1k3j h GLU 137 CO 0.48 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.36 1k3j n SER 138 N -4.02 2.49 -1.26 3.06 3.41 -1.26 -4.22 113.62 111.82 1k3j n SER 138 Ca 0.17 -1.89 0.03 0.00 -0.26 0.00 0.00 58.87 56.92 1k3j n SER 138 Cb 0.94 -0.22 0.10 0.00 -0.26 0.00 0.00 64.21 64.77 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k3j n ASP 139 N 0.85 1.51 -4.67 4.04 2.03 0.26 -5.05 116.55 115.52 1k3j n ASP 139 Ca 0.17 -2.84 -0.35 0.00 0.52 0.00 0.00 54.79 52.30 1k3j n ASP 139 Cb 0.43 -0.40 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k3j s ILE 140 N -1.74 4.27 -0.05 5.18 1.01 -1.19 -4.47 121.20 124.20 1k3j s ILE 140 Ca 0.36 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1k3j s ILE 140 Cb 0.38 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 1k3j s ILE 140 CO -0.11 0.60 -0.20 -0.22 0.00 0.00 0.00 174.94 175.01 1k3j s LEU 141 N -0.81 1.97 0.10 2.97 0.20 0.18 -4.96 118.68 118.32 1k3j s LEU 141 Ca 0.12 -0.42 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1k3j s LEU 141 Cb -0.11 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.47 1k3j s LEU 141 CO 0.02 0.18 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.69 1k3j s SER 142 N 0.04 4.89 -0.01 3.68 0.15 -1.26 0.90 113.70 122.09 1k3j s SER 142 Ca -0.06 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1k3j s SER 142 Cb -0.13 -1.11 -0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1k3j s SER 142 CO 0.03 0.17 -0.05 -0.76 1.20 0.00 0.00 173.24 173.83 1k3j s LEU 143 N -2.35 1.95 -0.07 3.45 1.43 0.20 -3.77 118.68 119.52 1k3j s LEU 143 Ca 0.25 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1k3j s LEU 143 Cb -0.11 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 1k3j s LEU 143 CO 0.17 0.05 -0.11 -0.69 0.23 0.00 0.00 176.35 176.01 1k3j s VAL 144 N -0.03 3.36 -0.17 -1.59 1.01 0.30 0.16 120.40 123.44 1k3j s VAL 144 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1k3j s VAL 144 Cb -0.03 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1k3j s VAL 144 CO -0.00 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 1k3j s ILE 145 N -0.67 4.35 -0.25 2.22 1.01 0.66 0.77 121.20 129.30 1k3j s ILE 145 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1k3j s ILE 145 Cb -0.11 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1k3j s ILE 145 CO 0.01 0.47 -0.04 -0.36 0.00 0.00 0.00 174.94 175.02 1k3j s PHE 146 N 0.40 3.05 0.03 3.97 0.40 0.31 -2.88 117.98 123.26 1k3j s PHE 146 Ca -0.00 -1.35 -0.25 0.00 -0.60 0.00 0.00 56.93 54.73 1k3j s PHE 146 Cb -0.13 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1k3j s PHE 146 CO 0.02 -0.67 0.76 0.42 0.70 0.00 0.00 175.22 176.44 1k3j s ILE 147 N 1.38 4.76 -0.45 0.64 1.01 -1.26 0.10 121.20 127.38 1k3j s ILE 147 Ca 0.02 1.61 -0.23 0.00 0.00 0.00 0.00 60.65 62.05 1k3j s ILE 147 Cb -0.16 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.23 1k3j s ILE 147 CO -0.04 0.35 0.78 0.20 0.00 0.00 0.00 174.94 176.24 1k3j s ASN 148 N 0.02 6.40 0.46 3.58 -0.87 -1.21 -4.91 114.94 118.40 1k3j s ASN 148 Ca 0.39 -0.15 0.14 0.00 -1.57 0.00 0.00 52.86 51.66 1k3j s ASN 148 Cb -0.20 -2.38 1.04 0.00 -0.02 0.00 0.00 41.25 39.69 1k3j s ASN 148 CO 0.23 -0.92 2.03 -0.78 -2.57 0.00 0.00 177.10 175.09 1k3j h ASP 149 N 8.99 0.07 -0.80 -1.22 1.82 -1.94 -2.42 116.42 120.91 1k3j h ASP 149 Ca -0.25 -0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.43 1k3j h ASP 149 Cb 1.09 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.02 1k3j h ASP 149 CO 0.96 0.17 0.50 0.07 -1.61 0.00 0.00 179.24 179.33 1k3j h LYS 150 N 0.07 0.92 -0.57 0.28 2.10 -1.94 -1.22 116.57 116.21 1k3j h LYS 150 Ca 0.02 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1k3j h LYS 150 Cb 0.20 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1k3j h LYS 150 CO 0.01 0.61 0.36 0.35 -2.00 0.00 0.00 179.45 178.78 1k3j h PHE 151 N 0.95 0.75 -0.28 0.07 3.57 -1.66 -2.31 116.94 118.03 1k3j h PHE 151 Ca 0.34 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1k3j h PHE 151 Cb 0.09 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1k3j h PHE 151 CO -0.04 0.50 -0.06 0.87 -2.23 0.00 0.00 178.31 177.36 1k3j h LYS 152 N 0.78 0.44 -0.62 1.11 1.57 -1.38 -2.82 116.57 115.64 1k3j h LYS 152 Ca 0.21 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1k3j h LYS 152 Cb -0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1k3j h LYS 152 CO -0.04 0.51 0.39 1.96 -0.57 0.00 0.00 179.45 181.70 1k3j h GLN 153 N 0.42 0.74 -0.30 3.15 4.20 -0.67 0.24 115.11 122.89 1k3j h GLN 153 Ca 0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1k3j h GLN 153 Cb 0.37 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1k3j h GLN 153 CO 0.02 0.49 0.10 0.00 -0.67 0.00 0.00 178.83 178.77 1k3j h LEU 155 N 0.33 0.62 -0.99 0.00 4.07 -1.33 0.64 115.31 118.64 1k3j h LEU 155 Ca 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1k3j h LEU 155 Cb 0.23 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1k3j h LEU 155 CO -0.00 0.79 0.50 -0.08 -1.08 0.00 0.00 178.44 178.57 1k3j h GLU 156 N 0.57 1.20 0.01 1.13 4.81 -0.30 -2.90 114.58 119.10 1k3j h GLU 156 Ca 0.10 -0.12 -0.29 0.00 -0.13 0.00 0.00 59.36 58.91 1k3j h GLU 156 Cb 0.59 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1k3j h GLU 156 CO 0.04 0.86 -1.65 1.96 -0.73 0.00 0.00 179.01 179.49 1k3j h GLN 157 N 1.22 0.02 0.00 1.92 4.20 -1.19 -3.47 115.11 117.81 1k3j h GLN 157 Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1k3j h GLN 157 Cb -0.01 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1k3j h GLN 157 CO -0.05 0.61 0.00 0.27 -0.67 0.00 0.00 178.83 178.98 1k3j n ASN 158 N -3.11 0.00 -4.58 1.46 0.23 0.22 -4.15 115.26 105.32 1k3j n ASN 158 Ca -0.16 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.54 1k3j n ASN 158 Cb 1.04 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.63 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 0.00 3.89 -0.25 -3.83 1.02 -1.26 -4.98 119.74 114.32 1k3j s LYS 159 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1k3j s LYS 159 Cb 0.00 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1k3j s LYS 159 CO 0.00 0.16 1.17 0.54 -0.92 0.00 0.00 175.35 176.30 1k3j s VAL 160 N 0.66 4.40 -0.14 3.17 0.11 -1.26 -5.02 120.40 122.33 1k3j s VAL 160 Ca 0.03 1.65 0.02 0.00 -2.93 0.00 0.00 61.98 60.76 1k3j s VAL 160 Cb -0.13 -4.22 0.01 0.00 -1.53 0.00 0.00 36.38 30.51 1k3j s VAL 160 CO 0.02 -0.31 -0.22 -1.81 -3.33 0.00 0.00 175.10 169.44 1k3j s ASP 161 N 1.89 3.12 -0.93 3.54 1.11 -1.26 -5.07 116.67 119.08 1k3j s ASP 161 Ca 0.50 -0.60 -0.02 0.00 0.18 0.00 0.00 52.55 52.60 1k3j s ASP 161 Cb -0.16 -1.45 0.23 0.00 1.07 0.00 0.00 42.92 42.61 1k3j s ASP 161 CO 0.15 0.08 0.84 0.54 1.18 0.00 0.00 175.17 177.95 1k3j n ARG 162 N 4.08 2.78 -3.19 8.23 1.74 -1.26 -5.06 116.66 123.98 1k3j n ARG 162 Ca -0.20 -4.48 -0.39 0.00 -0.77 0.00 0.00 57.85 52.01 1k3j n ARG 162 Cb 0.51 -2.43 -0.06 0.00 -1.02 0.00 0.00 32.46 29.47 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 -1.42 4.63 -0.86 0.55 2.07 -1.26 -5.38 121.20 119.53 1k3j s ILE 163 Ca 0.28 1.35 0.07 0.00 -1.41 0.00 0.00 60.65 60.95 1k3j s ILE 163 Cb -0.07 -3.97 0.05 0.00 0.13 0.00 0.00 42.46 38.61 1k3j s ILE 163 CO -0.12 0.54 0.72 0.54 -1.91 0.00 0.00 174.94 174.71