#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 0.91 -0.22 0.00 -2.24 -1.26 -4.12 114.28 107.35 1k3j n THR 15 Ca 0.00 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1k3j n THR 15 Cb 0.00 -1.76 0.03 0.00 -2.10 0.00 0.00 70.33 66.50 1k3j n THR 15 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1k3j h GLN 16 N -0.45 0.99 -0.22 -0.78 3.07 -2.07 -2.63 115.11 113.02 1k3j h GLN 16 Ca -0.22 -0.23 -0.16 0.00 0.09 0.00 0.00 58.65 58.13 1k3j h GLN 16 Cb 1.01 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 1k3j h GLN 16 CO -0.13 0.89 -0.52 -0.09 0.09 0.00 0.00 178.83 179.07 1k3j h ARG 17 N 0.91 0.63 -1.00 0.06 2.43 -2.01 -3.11 114.38 112.29 1k3j h ARG 17 Ca 0.20 -0.38 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1k3j h ARG 17 Cb 0.34 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1k3j h ARG 17 CO -0.00 1.00 0.65 0.35 -1.51 0.00 0.00 179.97 180.46 1k3j h PHE 18 N 0.49 1.22 -0.22 2.20 3.57 -1.66 -0.93 116.94 121.61 1k3j h PHE 18 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1k3j h PHE 18 Cb 1.07 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1k3j h PHE 18 CO 0.05 0.69 0.01 -0.07 -2.23 0.00 0.00 178.31 176.76 1k3j h LEU 19 N 1.24 0.28 -0.42 0.59 3.38 -1.40 -2.20 115.31 116.79 1k3j h LEU 19 Ca 0.40 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.16 1k3j h LEU 19 Cb 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1k3j h LEU 19 CO -0.13 0.33 -0.70 0.40 0.09 0.00 0.00 178.44 178.43 1k3j h ILE 20 N 0.31 1.36 -0.70 1.22 2.04 -1.20 -3.11 117.51 117.43 1k3j h ILE 20 Ca 0.07 -2.07 0.05 0.00 1.00 0.00 0.00 64.86 63.92 1k3j h ILE 20 Cb 0.19 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1k3j h ILE 20 CO 0.00 0.63 0.41 -0.33 0.00 0.00 0.00 178.15 178.86 1k3j h GLU 21 N 0.31 0.74 0.00 2.37 5.08 -0.72 0.27 114.58 122.63 1k3j h GLU 21 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1k3j h GLU 21 Cb 1.27 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1k3j h GLU 21 CO 0.12 0.49 -0.15 0.87 -1.00 0.00 0.00 179.01 179.34 1k3j h LYS 22 N 0.76 0.00 -0.35 2.33 1.57 -1.52 -2.15 116.57 117.22 1k3j h LYS 22 Ca 0.31 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 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 -0.16 0.15 0.12 0.35 -0.57 0.00 0.00 179.45 179.34 1k3j h PHE 23 N 0.00 0.22 0.20 -1.35 3.04 -0.87 -3.06 116.94 115.12 1k3j h PHE 23 Ca -0.00 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.68 1k3j h PHE 23 Cb 0.47 -0.05 0.03 0.00 2.56 0.00 0.00 35.95 38.96 1k3j h PHE 23 CO 0.00 0.09 -1.28 0.77 -2.02 0.00 0.00 178.31 175.87 1k3j h SER 24 N 0.27 0.66 -2.58 0.41 0.02 -1.48 -3.50 113.55 107.35 1k3j h SER 24 Ca 0.16 -0.93 0.11 0.00 -0.84 0.00 0.00 61.79 60.29 1k3j h SER 24 Cb 0.13 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1k3j h SER 24 CO -0.16 1.61 -0.15 1.67 -1.14 0.00 0.00 176.83 178.66 1k3j n GLN 25 N -3.86 -0.85 -1.85 3.45 -0.06 -0.82 -4.70 117.38 108.68 1k3j n GLN 25 Ca -0.17 0.56 -0.42 0.00 -2.00 0.00 0.00 57.00 54.96 1k3j n GLN 25 Cb 0.99 -1.03 -0.03 0.00 -4.06 0.00 0.00 30.24 26.11 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1k3j s GLU 26 N -0.77 4.18 -0.57 3.69 8.01 -1.26 -4.91 118.70 127.06 1k3j s GLU 26 Ca 0.00 2.45 -0.28 0.00 0.01 0.00 0.00 54.97 57.15 1k3j s GLU 26 Cb 0.00 -3.33 0.01 0.00 -4.31 0.00 0.00 34.13 26.50 1k3j s GLU 26 CO 0.00 -0.71 1.45 -0.65 0.01 0.00 0.00 175.26 175.36 1k3j s GLN 27 N 1.81 3.25 0.17 1.61 1.11 -1.26 -4.99 119.66 121.36 1k3j s GLN 27 Ca 0.74 0.45 -0.28 0.00 0.01 0.00 0.00 55.36 56.28 1k3j s GLN 27 Cb -0.44 -4.15 -0.08 0.00 -1.01 0.00 0.00 33.01 27.33 1k3j s GLN 27 CO 0.33 -2.00 0.86 0.42 0.01 0.00 0.00 175.29 174.91 1k3j s ILE 28 N 6.27 4.33 0.00 1.08 -1.09 -1.26 -4.91 121.20 125.62 1k3j s ILE 28 Ca 0.53 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.84 1k3j s ILE 28 Cb -0.11 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1k3j s ILE 28 CO 0.24 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1k3j n GLY 29 N 1.77 3.15 0.12 6.18 0.00 -1.26 -4.93 105.19 110.22 1k3j n GLY 29 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1k3j n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k3j h GLU 30 N 0.00 0.00 0.00 1.61 4.81 -2.01 -3.41 114.58 115.58 1k3j h GLU 30 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1k3j h GLU 30 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1k3j h GLU 30 CO 0.00 0.68 -0.02 0.09 -0.73 0.00 0.00 179.01 179.03 1k3j n ASN 31 N -3.53 -0.10 -4.74 1.04 5.03 -1.26 -5.08 115.26 106.61 1k3j n ASN 31 Ca -0.00 -0.83 -0.41 0.00 0.87 0.00 0.00 54.58 54.22 1k3j n ASN 31 Cb 0.72 0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 39.48 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1k3j s ILE 32 N 0.01 3.87 -0.16 2.41 -1.09 -1.26 -1.09 121.20 123.88 1k3j s ILE 32 Ca 0.00 1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 60.00 1k3j s ILE 32 Cb 0.02 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1k3j s ILE 32 CO -0.01 0.33 -0.16 0.52 -1.23 0.00 0.00 174.94 174.39 1k3j n VAL 33 N 2.04 1.45 -3.99 2.92 0.31 0.34 -4.49 118.33 116.91 1k3j n VAL 33 Ca 0.01 0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1k3j n VAL 33 Cb 0.46 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 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 -3.98 1.36 -0.23 0.00 1.81 0.33 0.10 118.95 118.33 1k3j s ARG 35 Ca 0.18 -0.24 -0.15 0.00 -1.72 0.00 0.00 55.73 53.80 1k3j s ARG 35 Cb 0.04 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.16 1k3j s ARG 35 CO 0.00 -0.15 0.39 0.08 -0.68 0.00 0.00 175.30 174.94 1k3j s VAL 36 N 1.30 5.19 -0.13 3.52 1.01 -1.06 0.15 120.40 130.38 1k3j s VAL 36 Ca -0.03 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1k3j s VAL 36 Cb -0.14 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1k3j s VAL 36 CO -0.03 0.21 -0.15 -0.63 0.00 0.00 0.00 175.10 174.50 1k3j s ILE 37 N 1.65 1.55 -0.41 2.22 1.01 0.36 -2.15 121.20 125.43 1k3j s ILE 37 Ca 0.17 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1k3j s ILE 37 Cb -0.15 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1k3j s ILE 37 CO 0.09 0.45 1.11 0.00 0.00 0.00 0.00 174.94 176.59 1k3j h THR 39 N 6.01 0.88 -0.00 0.00 1.35 -1.91 -3.18 112.91 116.06 1k3j h THR 39 Ca -0.22 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1k3j h THR 39 Cb 1.06 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1k3j h THR 39 CO 1.09 0.50 -0.00 0.35 -0.25 0.00 0.00 175.52 177.21 1k3j n THR 40 N -3.21 0.00 -2.78 6.82 -2.24 -1.26 -4.95 114.28 106.65 1k3j n THR 40 Ca 0.01 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1k3j n THR 40 Cb 0.75 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.12 -1.22 0.82 3.38 0.00 -1.20 -4.99 105.19 103.10 1k3j n GLY 41 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.10 1k3j n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k3j n GLN 42 N -0.80 0.00 -4.84 1.61 6.02 -1.26 -5.12 117.38 112.99 1k3j n GLN 42 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 1k3j n GLN 42 Cb 0.44 -0.19 -0.13 0.00 1.02 0.00 0.00 30.24 31.39 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 -1.41 2.94 0.42 5.09 1.01 -1.26 -4.73 121.20 123.25 1k3j s ILE 43 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 1k3j s ILE 43 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 1k3j s ILE 43 CO 0.00 0.51 1.14 -2.16 0.00 0.00 0.00 174.94 174.43 1k3j s PRO 44 N -0.96 3.96 0.36 2.79 0.04 -1.26 -4.21 135.00 135.71 1k3j s PRO 44 Ca 0.13 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1k3j s PRO 44 Cb -0.11 -2.55 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 1k3j s PRO 44 CO 0.02 -0.37 1.52 0.42 0.04 0.00 0.00 177.00 178.63 1k3j s ILE 45 N -1.51 2.01 0.27 0.56 1.01 -1.26 -4.85 121.20 117.43 1k3j s ILE 45 Ca 0.60 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1k3j s ILE 45 Cb -0.28 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1k3j s ILE 45 CO 0.35 0.00 -0.07 -0.60 0.00 0.00 0.00 174.94 174.63 1k3j s ARG 46 N -1.72 1.53 -0.18 2.79 6.06 -0.92 -5.03 118.95 121.48 1k3j s ARG 46 Ca 0.56 -1.77 0.01 0.00 -2.50 0.00 0.00 55.73 52.03 1k3j s ARG 46 Cb -0.47 -1.15 0.02 0.00 0.06 0.00 0.00 34.95 33.41 1k3j s ARG 46 CO 0.60 0.05 -0.19 0.16 -2.50 0.00 0.00 175.30 173.42 1k3j s ASP 47 N -3.43 3.09 -0.12 -2.12 1.47 -1.26 -2.55 116.67 111.75 1k3j s ASP 47 Ca 0.29 -0.64 -0.18 0.00 1.18 0.00 0.00 52.55 53.20 1k3j s ASP 47 Cb 0.03 -1.43 -0.04 0.00 -0.34 0.00 0.00 42.92 41.14 1k3j s ASP 47 CO 0.11 -0.02 0.46 -0.76 0.68 0.00 0.00 175.17 175.65 1k3j s LEU 48 N 1.32 4.28 0.04 2.11 1.02 0.11 -5.00 118.68 122.57 1k3j s LEU 48 Ca 0.05 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 1k3j s LEU 48 Cb -0.13 -2.67 -0.02 0.00 0.02 0.00 0.00 46.19 43.38 1k3j s LEU 48 CO -0.12 0.02 0.02 -0.94 0.02 0.00 0.00 176.35 175.35 1k3j s SER 49 N 0.55 0.31 -0.06 2.29 1.04 -1.26 0.13 113.70 116.69 1k3j s SER 49 Ca 0.25 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 1k3j s SER 49 Cb -0.15 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1k3j s SER 49 CO 0.10 -0.50 0.18 0.00 0.98 0.00 0.00 173.24 174.00 1k3j s ALA 50 N -2.87 -0.45 -0.01 5.32 0.00 -0.25 -4.78 121.76 118.73 1k3j s ALA 50 Ca -0.03 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1k3j s ALA 50 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1k3j s ALA 50 CO -0.06 -0.11 1.18 -0.51 0.00 0.00 0.00 175.76 176.25 1k3j s ASP 51 N -0.21 7.09 0.15 0.00 1.01 -1.26 -4.70 116.67 118.76 1k3j s ASP 51 Ca -0.03 1.87 -0.13 0.00 0.71 0.00 0.00 52.55 54.97 1k3j s ASP 51 Cb -0.03 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1k3j s ASP 51 CO 0.01 -0.51 1.66 0.40 0.21 0.00 0.00 175.17 176.94 1k3j h ILE 52 N 4.81 1.24 -0.94 0.77 2.04 -1.98 -1.76 117.51 121.69 1k3j h ILE 52 Ca -0.37 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1k3j h ILE 52 Cb 1.19 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1k3j h ILE 52 CO 0.84 0.30 0.56 -1.28 0.00 0.00 0.00 178.15 178.57 1k3j h SER 53 N 0.69 1.14 -0.18 1.72 0.87 -1.98 0.17 113.55 115.98 1k3j h SER 53 Ca 0.16 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1k3j h SER 53 Cb 0.31 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1k3j h SER 53 CO -0.00 0.88 -0.31 1.56 -0.53 0.00 0.00 176.83 178.43 1k3j h GLN 54 N 1.30 0.68 -0.18 2.24 1.08 -1.93 0.12 115.11 118.42 1k3j h GLN 54 Ca 0.34 -0.30 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 1k3j h GLN 54 Cb -0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1k3j h GLN 54 CO -0.06 0.90 -0.43 0.28 -0.95 0.00 0.00 178.83 178.57 1k3j h VAL 55 N 0.58 1.33 -0.25 -0.54 2.07 -0.68 -1.69 116.25 117.07 1k3j h VAL 55 Ca 0.07 -1.67 -0.15 0.00 0.82 0.00 0.00 66.70 65.77 1k3j h VAL 55 Cb 0.81 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1k3j h VAL 55 CO 0.07 0.52 -0.42 0.25 0.02 0.00 0.00 177.57 178.00 1k3j h LEU 56 N 0.28 0.79 -0.82 2.57 6.46 -0.63 -3.18 115.31 120.78 1k3j h LEU 56 Ca -0.00 -0.53 -0.07 0.00 -0.12 0.00 0.00 57.88 57.16 1k3j h LEU 56 Cb 1.04 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1k3j h LEU 56 CO 0.09 1.17 0.14 0.11 -0.62 0.00 0.00 178.44 179.34 1k3j h LYS 57 N 0.44 1.03 -6.57 1.25 1.79 -0.81 -3.42 116.57 110.28 1k3j h LYS 57 Ca 0.02 -0.24 -0.53 0.00 -2.18 0.00 0.00 60.65 57.72 1k3j h LYS 57 Cb 1.02 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1k3j h LYS 57 CO 0.10 0.92 0.57 -1.21 -1.08 0.00 0.00 179.45 178.75 1k3j s GLU 58 N -5.25 4.45 -0.43 3.15 2.02 -0.64 -4.93 118.70 117.08 1k3j s GLU 58 Ca -0.11 1.84 0.05 0.00 0.02 0.00 0.00 54.97 56.76 1k3j s GLU 58 Cb 0.15 -3.29 0.55 0.00 0.10 0.00 0.00 34.13 31.64 1k3j s GLU 58 CO 0.83 -0.19 1.73 1.17 0.02 0.00 0.00 175.26 178.82 1k3j n LYS 59 N 3.27 2.32 -3.57 1.61 3.00 -1.26 -4.89 118.16 118.64 1k3j n LYS 59 Ca 0.07 -3.23 -0.24 0.00 -0.00 0.00 0.00 58.31 54.91 1k3j n LYS 59 Cb 0.45 -2.09 0.02 0.00 0.00 0.00 0.00 35.03 33.41 1k3j n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k3j s ARG 60 N -3.42 2.29 0.01 1.64 1.81 -1.26 -5.05 118.95 114.97 1k3j s ARG 60 Ca 0.54 -1.87 0.10 0.00 -1.72 0.00 0.00 55.73 52.79 1k3j s ARG 60 Cb 0.46 -2.31 -0.23 0.00 -0.45 0.00 0.00 34.95 32.42 1k3j s ARG 60 CO 0.04 -0.69 0.86 0.77 -0.68 0.00 0.00 175.30 175.60 1k3j h SER 61 N 0.55 0.02 -3.39 0.23 0.02 -1.98 -3.41 113.55 105.59 1k3j h SER 61 Ca -0.34 -0.03 -0.66 0.00 -0.84 0.00 0.00 61.79 59.92 1k3j h SER 61 Cb 1.30 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 1k3j h SER 61 CO 0.51 1.02 -0.66 -0.51 -1.14 0.00 0.00 176.83 176.05 1k3j s ILE 62 N -2.63 4.01 0.00 3.27 1.10 -1.26 -2.09 121.20 123.60 1k3j s ILE 62 Ca -0.03 -0.82 0.00 0.00 -0.51 0.00 0.00 60.65 59.29 1k3j s ILE 62 Cb 0.09 -2.84 0.00 0.00 0.15 0.00 0.00 42.46 39.85 1k3j s ILE 62 CO 0.82 0.25 0.00 0.29 -2.11 0.00 0.00 174.94 174.20 1k3j n LYS 63 N 1.02 0.00 -4.01 3.50 4.01 -0.40 -4.96 118.16 117.31 1k3j n LYS 63 Ca -0.13 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.48 1k3j n LYS 63 Cb 0.52 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.88 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1k3j s LYS 64 N -0.63 0.60 -0.04 1.97 2.20 -1.14 -4.99 119.74 117.70 1k3j s LYS 64 Ca 0.00 0.00 0.06 0.00 -0.36 0.00 0.00 55.97 55.67 1k3j s LYS 64 Cb 0.00 -0.74 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 1k3j s LYS 64 CO 0.00 -0.14 -0.23 0.08 -0.36 0.00 0.00 175.35 174.70 1k3j s VAL 65 N 1.15 1.89 -0.11 4.02 1.01 -1.26 -1.20 120.40 125.90 1k3j s VAL 65 Ca -0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 1k3j s VAL 65 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1k3j s VAL 65 CO -0.01 0.53 0.09 0.26 0.00 0.00 0.00 175.10 175.97 1k3j s TRP 66 N -0.29 3.44 -0.13 5.22 0.51 0.51 -4.89 118.94 123.32 1k3j s TRP 66 Ca 0.01 0.40 -0.00 0.00 -2.12 0.00 0.00 56.10 54.39 1k3j s TRP 66 Cb -0.12 -1.90 -0.02 0.00 -0.81 0.00 0.00 33.47 30.63 1k3j s TRP 66 CO 0.02 0.62 -0.12 0.99 -0.51 0.00 0.00 176.95 177.95 1k3j s THR 67 N -0.90 3.18 0.05 2.01 2.01 -1.26 0.18 115.64 120.91 1k3j s THR 67 Ca 0.14 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1k3j s THR 67 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1k3j s THR 67 CO 0.03 0.52 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.91 1k3j s PHE 68 N 0.29 2.46 -4.75 4.92 0.40 0.51 0.18 117.98 121.99 1k3j s PHE 68 Ca -0.09 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1k3j s PHE 68 Cb -0.15 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1k3j s PHE 68 CO 0.05 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.61 1k3j n GLY 69 N 1.54 -1.30 0.10 4.36 0.00 -0.85 0.16 105.19 109.20 1k3j n GLY 69 Ca -0.16 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1k3j n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j n ARG 70 N 0.00 1.13 -2.97 1.61 1.74 0.23 -2.29 116.66 116.11 1k3j n ARG 70 Ca 0.00 -0.19 -0.40 0.00 -0.77 0.00 0.00 57.85 56.49 1k3j n ARG 70 Cb 0.00 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k3j s ASN 71 N -1.57 7.16 0.23 0.55 3.84 0.82 -4.86 114.94 121.10 1k3j s ASN 71 Ca 0.28 1.39 0.20 0.00 0.21 0.00 0.00 52.86 54.94 1k3j s ASN 71 Cb 0.13 -2.46 0.92 0.00 -0.55 0.00 0.00 41.25 39.29 1k3j s ASN 71 CO 0.22 -0.06 1.61 -2.65 -2.79 0.00 0.00 177.10 173.43 1k3j n PRO 72 N 3.26 0.14 0.06 0.43 -0.02 -1.26 -1.88 135.00 135.74 1k3j n PRO 72 Ca -0.01 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 1k3j n PRO 72 Cb 0.51 -1.83 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.20 0.02 -1.18 3.55 0.00 -1.95 -3.47 119.26 118.43 1k3j h ALA 73 Ca 0.00 -0.93 -0.67 0.00 0.00 0.00 0.00 54.91 53.32 1k3j h ALA 73 Cb 0.22 0.30 0.10 0.00 0.00 0.00 0.00 17.79 18.41 1k3j h ALA 73 CO 0.00 0.68 -0.35 0.00 0.00 0.00 0.00 179.25 179.59 1k3j h ASP 75 N 1.41 0.00 -3.21 0.00 3.32 0.15 -3.37 116.42 114.72 1k3j h ASP 75 Ca -0.32 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.20 1k3j h ASP 75 Cb 1.42 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.60 1k3j h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.84 1k3j s TYR 76 N -3.94 1.52 -0.45 4.55 5.04 -0.10 -4.92 117.35 119.06 1k3j s TYR 76 Ca -0.04 -0.81 -0.17 0.00 -2.44 0.00 0.00 57.07 53.61 1k3j s TYR 76 Cb 0.09 -1.25 0.04 0.00 0.35 0.00 0.00 41.96 41.20 1k3j s TYR 76 CO 0.29 -0.54 0.45 -1.58 -1.34 0.00 0.00 175.55 172.83 1k3j s HIS 77 N 1.70 3.17 0.52 4.97 5.65 -1.26 -2.00 115.29 128.04 1k3j s HIS 77 Ca 0.04 -0.57 0.05 0.00 0.25 0.00 0.00 55.06 54.82 1k3j s HIS 77 Cb -0.13 -3.05 0.01 0.00 -1.18 0.00 0.00 32.58 28.23 1k3j s HIS 77 CO -0.08 -0.78 0.28 -0.48 -0.65 0.00 0.00 174.74 173.04 1k3j s LEU 78 N 2.05 2.67 0.53 8.88 0.05 -0.97 -4.82 118.68 127.08 1k3j s LEU 78 Ca 0.10 -1.31 -0.21 0.00 0.05 0.00 0.00 54.13 52.75 1k3j s LEU 78 Cb -0.20 -1.13 -0.06 0.00 -2.05 0.00 0.00 46.19 42.75 1k3j s LEU 78 CO 0.11 -0.97 1.16 0.61 -0.55 0.00 0.00 176.35 176.71 1k3j n GLY 79 N -1.58 0.21 3.57 -3.48 0.00 -1.26 -4.57 105.19 98.07 1k3j n GLY 79 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1k3j n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j s ASN 80 N -0.96 6.46 -0.19 1.61 4.22 -1.26 -4.64 114.94 120.17 1k3j s ASN 80 Ca 0.71 -1.64 -0.06 0.00 -2.14 0.00 0.00 52.86 49.73 1k3j s ASN 80 Cb -0.45 -2.57 -0.03 0.00 1.28 0.00 0.00 41.25 39.48 1k3j s ASN 80 CO 0.50 -1.55 0.01 -0.63 -2.04 0.00 0.00 177.10 173.40 1k3j s ILE 81 N 5.28 4.16 0.43 0.54 1.09 -1.26 -4.99 121.20 126.45 1k3j s ILE 81 Ca 0.50 -0.25 0.15 0.00 -1.10 0.00 0.00 60.65 59.95 1k3j s ILE 81 Cb 0.01 -2.88 0.34 0.00 -1.06 0.00 0.00 42.46 38.87 1k3j s ILE 81 CO -0.05 0.43 1.95 0.28 -0.10 0.00 0.00 174.94 177.46 1k3j h SER 82 N 7.28 0.38 0.23 3.58 0.02 -1.99 0.13 113.55 123.16 1k3j h SER 82 Ca -0.35 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 1k3j h SER 82 Cb 1.18 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1k3j h SER 82 CO 0.63 0.21 -0.17 -0.09 -1.14 0.00 0.00 176.83 176.27 1k3j h ARG 83 N 0.41 0.00 -5.98 3.45 9.65 -1.93 -3.43 114.38 116.55 1k3j h ARG 83 Ca 0.33 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.62 1k3j h ARG 83 Cb 0.72 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.26 1k3j h ARG 83 CO -0.10 0.17 -0.49 -0.51 2.80 0.00 0.00 179.97 181.84 1k3j s LEU 84 N -8.25 4.31 0.44 3.80 1.43 0.44 -4.48 118.68 116.36 1k3j s LEU 84 Ca -0.04 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1k3j s LEU 84 Cb 0.15 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1k3j s LEU 84 CO 0.67 0.12 0.63 -0.94 0.23 0.00 0.00 176.35 177.06 1k3j s SER 85 N -2.79 5.78 0.22 2.29 1.04 -1.26 -4.70 113.70 114.27 1k3j s SER 85 Ca 0.34 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 1k3j s SER 85 Cb -0.12 -1.34 0.23 0.00 0.10 0.00 0.00 66.02 64.90 1k3j s SER 85 CO 0.28 -0.70 1.58 0.78 0.98 0.00 0.00 173.24 176.15 1k3j h ASN 86 N 0.48 -1.14 -3.41 7.02 2.35 -1.92 -2.56 115.58 116.40 1k3j h ASN 86 Ca -0.45 0.26 -0.63 0.00 -0.55 0.00 0.00 56.30 54.93 1k3j h ASN 86 Cb 1.26 0.62 -0.41 0.00 0.05 0.00 0.00 38.32 39.84 1k3j h ASN 86 CO 0.55 -0.29 -0.53 -0.54 -1.65 0.00 0.00 177.43 174.96 1k3j s LYS 87 N -6.06 2.45 0.14 0.81 1.02 -1.26 0.75 119.74 117.60 1k3j s LYS 87 Ca -0.14 -3.18 -0.17 0.00 0.02 0.00 0.00 55.97 52.49 1k3j s LYS 87 Cb 0.20 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1k3j s LYS 87 CO 0.72 -1.25 1.80 1.25 -0.92 0.00 0.00 175.35 176.96 1k3j h HIS 88 N 5.71 0.42 -3.91 3.18 2.76 0.20 -3.35 115.15 120.16 1k3j h HIS 88 Ca 0.10 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1k3j h HIS 88 Cb 0.79 -0.14 -0.14 0.00 1.55 0.00 0.00 27.41 29.47 1k3j h HIS 88 CO 0.66 0.26 -0.44 -0.59 -1.30 0.00 0.00 177.93 176.52 1k3j s PHE 89 N -6.17 0.24 -0.00 5.26 -0.71 -0.39 0.15 117.98 116.36 1k3j s PHE 89 Ca -0.13 -0.69 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1k3j s PHE 89 Cb 0.10 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1k3j s PHE 89 CO 0.71 -0.51 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.89 1k3j s GLN 90 N -3.88 0.43 -0.12 1.99 0.74 0.41 0.19 119.66 119.43 1k3j s GLN 90 Ca 0.05 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.24 1k3j s GLN 90 Cb 0.06 -0.40 -0.01 0.00 1.10 0.00 0.00 33.01 33.76 1k3j s GLN 90 CO -0.11 0.11 -0.15 0.42 -0.55 0.00 0.00 175.29 175.01 1k3j s ILE 91 N -0.23 2.88 0.06 -2.34 1.01 0.47 0.16 121.20 123.20 1k3j s ILE 91 Ca 0.01 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1k3j s ILE 91 Cb -0.03 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1k3j s ILE 91 CO -0.00 0.54 -0.10 -1.48 0.00 0.00 0.00 174.94 173.90 1k3j s LEU 92 N 0.23 3.03 -0.13 2.97 2.34 -0.02 0.19 118.68 127.30 1k3j s LEU 92 Ca -0.10 -0.30 0.01 0.00 0.06 0.00 0.00 54.13 53.80 1k3j s LEU 92 Cb -0.16 -1.79 0.02 0.00 -0.56 0.00 0.00 46.19 43.70 1k3j s LEU 92 CO 0.06 0.23 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.21 1k3j s LEU 93 N -1.80 1.67 0.00 1.48 2.96 -0.34 -0.96 118.68 121.70 1k3j s LEU 93 Ca 0.19 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 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 0.10 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1k3j n GLY 94 N 4.49 -1.71 2.85 7.98 0.00 -1.23 -1.28 105.19 116.28 1k3j n GLY 94 Ca -0.18 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 1k3j n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k3j n GLU 95 N -0.31 -2.57 -1.08 1.61 2.13 -0.89 -4.32 120.64 115.22 1k3j n GLU 95 Ca 0.00 2.23 0.15 0.00 0.66 0.00 0.00 57.16 60.20 1k3j n GLU 95 Cb 0.00 -5.52 -0.04 0.00 0.27 0.00 0.00 31.44 26.15 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1k3j n ASP 96 N -0.11 -7.97 -3.40 4.31 9.92 -1.26 -3.76 116.55 114.29 1k3j n ASP 96 Ca 0.09 1.16 -0.32 0.00 -0.53 0.00 0.00 54.79 55.19 1k3j n ASP 96 Cb 0.38 -3.26 -0.04 0.00 -0.64 0.00 0.00 41.12 37.57 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k3j n GLY 97 N -3.16 2.77 3.07 0.44 0.00 -1.26 -4.80 105.19 102.25 1k3j n GLY 97 Ca 0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 4.30 0.21 0.18 1.61 -0.87 -1.25 -5.04 114.94 114.08 1k3j s ASN 98 Ca 0.47 -0.53 0.09 0.00 -1.57 0.00 0.00 52.86 51.33 1k3j s ASN 98 Cb 0.12 0.19 -0.04 0.00 -0.02 0.00 0.00 41.25 41.49 1k3j s ASN 98 CO 0.05 -0.44 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.24 1k3j s LEU 99 N -1.93 2.82 0.03 0.60 2.01 -1.26 -3.47 118.68 117.48 1k3j s LEU 99 Ca -0.08 -0.64 0.03 0.00 0.01 0.00 0.00 54.13 53.45 1k3j s LEU 99 Cb -0.03 -1.54 -0.02 0.00 0.01 0.00 0.00 46.19 44.61 1k3j s LEU 99 CO -0.03 0.12 -0.10 -0.76 1.01 0.00 0.00 176.35 176.58 1k3j s LEU 100 N -2.72 2.16 -0.16 1.79 1.02 -0.13 -1.92 118.68 118.72 1k3j s LEU 100 Ca 0.23 -0.41 -0.02 0.00 0.02 0.00 0.00 54.13 53.96 1k3j s LEU 100 Cb -0.09 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.70 1k3j s LEU 100 CO 0.13 -0.03 -0.09 -0.22 0.02 0.00 0.00 176.35 176.16 1k3j s LEU 101 N -1.05 2.84 -0.22 1.79 0.20 -0.33 -0.84 118.68 121.07 1k3j s LEU 101 Ca -0.02 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.50 1k3j s LEU 101 Cb -0.07 -1.67 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1k3j s LEU 101 CO 0.01 0.11 -0.15 0.21 -0.29 0.00 0.00 176.35 176.24 1k3j s ASN 102 N 0.69 3.77 0.29 3.68 2.47 0.41 -2.00 114.94 124.25 1k3j s ASN 102 Ca -0.05 -0.95 -0.29 0.00 0.42 0.00 0.00 52.86 51.99 1k3j s ASN 102 Cb -0.15 -1.53 -0.09 0.00 -1.45 0.00 0.00 41.25 38.03 1k3j s ASN 102 CO 0.02 -0.09 1.04 1.51 -3.72 0.00 0.00 177.10 175.86 1k3j s ASP 103 N 1.23 7.31 -0.27 -4.21 1.47 -1.25 0.16 116.67 121.10 1k3j s ASP 103 Ca -0.01 2.12 0.18 0.00 1.18 0.00 0.00 52.55 56.03 1k3j s ASP 103 Cb -0.16 -2.61 0.44 0.00 -0.34 0.00 0.00 42.92 40.25 1k3j s ASP 103 CO -0.09 -0.10 1.29 2.30 0.68 0.00 0.00 175.17 179.26 1k3j n ILE 104 N 1.07 0.62 -3.85 2.11 -5.35 -0.51 0.18 119.36 113.63 1k3j n ILE 104 Ca -0.00 -1.89 -0.28 0.00 -0.27 0.00 0.00 62.75 60.30 1k3j n ILE 104 Cb 0.46 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 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 -2.47 6.37 0.31 7.28 0.01 0.41 -4.22 113.70 121.38 1k3j s SER 105 Ca 0.19 0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.82 1k3j s SER 105 Cb 0.36 -1.96 0.51 0.00 0.21 0.00 0.00 66.02 65.14 1k3j s SER 105 CO -0.08 0.06 1.72 0.74 0.41 0.00 0.00 173.24 176.09 1k3j h THR 106 N 1.77 1.31 0.00 1.44 2.02 -1.87 -3.17 112.91 114.41 1k3j h THR 106 Ca -0.47 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1k3j h THR 106 Cb 1.18 1.71 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 0.00 175.52 175.81 1k3j n ASN 107 N -4.03 0.15 0.00 4.18 3.02 -1.26 -5.09 115.26 112.23 1k3j n ASN 107 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1k3j n ASN 107 Cb 0.47 1.73 0.00 0.00 -0.61 0.00 0.00 39.78 41.37 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 3.23 3.36 7.41 0.00 -1.20 -4.87 105.19 114.36 1k3j n GLY 108 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.73 2.46 0.09 2.61 2.01 -1.26 -4.34 115.64 114.48 1k3j s THR 109 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 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 -0.44 2.58 -0.21 4.92 0.51 0.36 -2.52 118.94 124.14 1k3j s TRP 110 Ca 0.05 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.80 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 0.36 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.55 1k3j s LEU 111 N -1.96 2.41 -1.68 2.99 2.96 0.12 0.14 118.68 123.65 1k3j s LEU 111 Ca 0.18 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 1k3j s LEU 111 Cb -0.11 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 111 CO 0.09 -0.16 0.49 0.59 -1.32 0.00 0.00 176.35 176.05 1k3j n ASN 112 N 4.66 -1.42 0.00 3.68 3.02 -1.07 0.92 115.26 125.05 1k3j n ASN 112 Ca -0.14 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1k3j n ASN 112 Cb 0.46 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 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 -1.66 2.24 3.48 7.41 0.00 -1.26 -5.01 105.19 110.40 1k3j n GLY 113 Ca -0.06 0.00 -0.38 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 -0.44 3.63 -0.05 1.61 0.74 0.26 -5.06 119.66 120.36 1k3j s GLN 114 Ca 0.00 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.60 1k3j s GLN 114 Cb 0.00 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1k3j s GLN 114 CO 0.00 -0.26 1.32 0.21 -0.55 0.00 0.00 175.29 176.00 1k3j s LYS 115 N 1.66 4.30 0.74 1.67 2.47 -1.26 0.13 119.74 129.44 1k3j s LYS 115 Ca 0.06 1.82 -0.03 0.00 -1.56 0.00 0.00 55.97 56.26 1k3j s LYS 115 Cb -0.16 -3.62 0.12 0.00 -1.46 0.00 0.00 37.83 32.72 1k3j s LYS 115 CO 0.07 -0.56 1.02 0.14 0.16 0.00 0.00 175.35 176.18 1k3j s VAL 116 N 2.57 2.17 -0.15 4.02 -7.23 -1.05 -4.93 120.40 115.80 1k3j s VAL 116 Ca 0.60 -0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 60.01 1k3j s VAL 116 Cb -0.28 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1k3j s VAL 116 CO 0.23 0.00 0.88 -1.83 -0.31 0.00 0.00 175.10 174.07 1k3j s GLU 117 N -5.21 4.34 0.95 4.82 -1.05 -1.26 -4.73 118.70 116.55 1k3j s GLU 117 Ca 0.66 1.12 -0.13 0.00 -0.15 0.00 0.00 54.97 56.46 1k3j s GLU 117 Cb -0.06 -3.56 0.01 0.00 -0.44 0.00 0.00 34.13 30.08 1k3j s GLU 117 CO 0.45 -0.31 0.23 1.17 0.95 0.00 0.00 175.26 177.75 1k3j n LYS 118 N 5.11 -0.23 -2.67 -4.83 4.81 -1.26 -2.15 118.16 116.94 1k3j n LYS 118 Ca 0.05 -0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1k3j n LYS 118 Cb 0.49 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.79 1k3j n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1k3j n ASN 119 N -0.56 -0.97 -4.56 3.14 0.23 0.49 -4.86 115.26 108.16 1k3j n ASN 119 Ca 0.06 -0.14 -0.31 0.00 -0.53 0.00 0.00 54.58 53.65 1k3j n ASN 119 Cb 0.54 -0.91 -0.11 0.00 -2.08 0.00 0.00 39.78 37.22 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 -1.94 4.38 -0.03 0.53 0.15 -0.91 -4.91 113.70 110.97 1k3j s SER 120 Ca 0.25 -0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.42 1k3j s SER 120 Cb -0.14 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.19 1k3j s SER 120 CO 0.30 0.26 0.66 0.20 1.20 0.00 0.00 173.24 175.86 1k3j s ASN 121 N -1.52 7.00 0.06 5.45 0.02 -1.26 -3.87 114.94 120.82 1k3j s ASN 121 Ca 0.17 1.20 0.06 0.00 -1.02 0.00 0.00 52.86 53.27 1k3j s ASN 121 Cb -0.11 -2.40 -0.03 0.00 0.02 0.00 0.00 41.25 38.74 1k3j s ASN 121 CO 0.08 -0.01 -0.16 -1.10 0.02 0.00 0.00 177.10 175.93 1k3j s GLN 122 N 0.31 0.95 -0.17 -0.60 -1.52 -0.85 -4.91 119.66 112.86 1k3j s GLN 122 Ca 0.35 -0.92 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 1k3j s GLN 122 Cb -0.18 -1.00 -0.02 0.00 -0.22 0.00 0.00 33.01 31.58 1k3j s GLN 122 CO 0.18 0.24 1.41 -1.17 -0.25 0.00 0.00 175.29 175.69 1k3j s LEU 123 N -1.51 4.13 0.80 2.90 2.96 -1.26 -1.18 118.68 125.51 1k3j s LEU 123 Ca 0.01 1.73 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 1k3j s LEU 123 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1k3j s LEU 123 CO 0.02 -0.92 0.60 -0.11 -1.32 0.00 0.00 176.35 174.62 1k3j n LEU 124 N 7.14 1.10 -4.32 -0.68 7.94 -0.81 -4.90 117.00 122.47 1k3j n LEU 124 Ca 0.15 0.52 -0.23 0.00 -1.11 0.00 0.00 56.01 55.34 1k3j n LEU 124 Cb 0.45 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 1k3j n LEU 124 CO 0.60 -3.04 -0.50 -0.44 -1.11 0.00 0.00 177.39 172.90 1k3j s SER 125 N -1.72 2.67 -0.10 1.96 0.01 -1.26 -4.97 113.70 110.28 1k3j s SER 125 Ca 0.64 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1k3j s SER 125 Cb -0.30 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1k3j s SER 125 CO 0.60 0.01 1.42 -1.58 0.41 0.00 0.00 173.24 174.09 1k3j s GLN 126 N -2.47 4.22 -1.84 12.44 2.00 -1.26 -2.72 119.66 130.03 1k3j s GLN 126 Ca 0.13 1.88 0.00 0.00 -2.00 0.00 0.00 55.36 55.37 1k3j s GLN 126 Cb -0.07 -3.81 0.00 0.00 0.80 0.00 0.00 33.01 29.92 1k3j s GLN 126 CO 0.06 -0.73 0.00 0.41 -0.50 0.00 0.00 175.29 174.53 1k3j n GLY 127 N 3.79 0.70 3.27 2.59 0.00 -1.03 -4.94 105.19 109.57 1k3j n GLY 127 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.56 -2.92 -3.78 1.61 2.03 -1.08 -4.56 116.55 106.29 1k3j n ASP 128 Ca -0.21 -0.44 -0.13 0.00 0.52 0.00 0.00 54.79 54.54 1k3j n ASP 128 Cb 0.65 -1.03 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 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 -4.26 0.19 -0.14 -0.67 2.12 -1.26 -0.62 118.70 114.07 1k3j s GLU 129 Ca 0.60 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.29 1k3j s GLU 129 Cb -0.15 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1k3j s GLU 129 CO 0.58 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 175.49 1k3j s ILE 130 N 0.61 2.89 -0.10 -3.70 1.01 0.38 -2.60 121.20 119.70 1k3j s ILE 130 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1k3j s ILE 130 Cb -0.06 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1k3j s ILE 130 CO -0.03 0.52 0.06 -0.89 0.00 0.00 0.00 174.94 174.59 1k3j s THR 131 N 0.53 4.78 0.05 2.92 2.01 0.37 0.34 115.64 126.63 1k3j s THR 131 Ca -0.09 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1k3j s THR 131 Cb -0.16 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1k3j s THR 131 CO 0.04 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.23 1k3j s VAL 132 N -0.95 0.20 0.00 3.82 -7.23 0.28 0.14 120.40 116.66 1k3j s VAL 132 Ca 0.14 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k3j s VAL 132 Cb -0.12 -1.31 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 0.00 175.10 174.53 1k3j n GLY 133 N 0.35 0.79 3.76 2.32 0.00 -1.26 0.10 105.19 111.25 1k3j n GLY 133 Ca -0.16 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.50 3.68 0.00 1.61 1.01 -1.26 -3.30 120.40 119.64 1k3j s VAL 134 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1k3j s VAL 134 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1k3j s VAL 134 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1k3j n GLY 135 N 1.22 2.87 3.10 4.51 0.00 -1.26 -5.00 105.19 110.63 1k3j n GLY 135 Ca -0.01 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 1.39 0.30 1.61 1.01 -1.26 -5.03 120.40 118.42 1k3j s VAL 136 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1k3j s VAL 136 Cb 0.00 -1.22 0.30 0.00 0.00 0.00 0.00 36.38 35.46 1k3j s VAL 136 CO 0.00 0.41 1.76 1.05 0.00 0.00 0.00 175.10 178.32 1k3j h GLU 137 N 6.55 0.69 -0.33 2.72 4.11 -1.99 0.91 114.58 127.25 1k3j h GLU 137 Ca -0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1k3j h GLU 137 Cb 1.19 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1k3j h GLU 137 CO 0.48 0.46 0.00 0.45 0.07 0.00 0.00 179.01 180.47 1k3j n SER 138 N -4.80 2.44 -0.63 3.06 2.88 -1.26 -4.17 113.62 111.14 1k3j n SER 138 Ca 0.24 -1.88 0.05 0.00 -1.33 0.00 0.00 58.87 55.95 1k3j n SER 138 Cb 0.61 -0.21 0.20 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.82 2.47 -4.66 -3.46 -0.08 0.31 -5.00 116.55 106.95 1k3j n ASP 139 Ca 0.17 -3.47 -0.35 0.00 -1.51 0.00 0.00 54.79 49.63 1k3j n ASP 139 Cb 0.43 -0.53 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 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 -3.06 4.23 -0.05 5.18 1.01 -1.21 -4.39 121.20 122.91 1k3j s ILE 140 Ca 0.39 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1k3j s ILE 140 Cb 0.35 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 1k3j s ILE 140 CO 0.00 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.13 1k3j s LEU 141 N -0.80 1.95 0.11 2.97 2.96 0.28 -4.96 118.68 121.19 1k3j s LEU 141 Ca 0.12 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1k3j s LEU 141 Cb -0.11 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1k3j s LEU 141 CO 0.02 0.17 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.57 1k3j s SER 142 N 0.06 4.39 0.01 3.68 0.15 -1.26 0.10 113.70 120.82 1k3j s SER 142 Ca -0.06 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1k3j s SER 142 Cb -0.13 -0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 1k3j s SER 142 CO 0.03 0.17 -0.06 -0.76 1.20 0.00 0.00 173.24 173.82 1k3j s LEU 143 N -2.28 2.07 -0.09 3.45 2.01 0.15 -3.70 118.68 120.29 1k3j s LEU 143 Ca 0.22 -0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.18 1k3j s LEU 143 Cb -0.11 -0.25 -0.02 0.00 0.01 0.00 0.00 46.19 45.82 1k3j s LEU 143 CO 0.14 0.00 -0.14 -0.69 1.01 0.00 0.00 176.35 176.67 1k3j s VAL 144 N -0.42 3.03 -0.19 -1.59 1.01 0.26 0.14 120.40 122.65 1k3j s VAL 144 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1k3j s VAL 144 Cb -0.04 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1k3j s VAL 144 CO -0.00 0.56 0.04 -0.63 0.00 0.00 0.00 175.10 175.07 1k3j s ILE 145 N -0.23 4.46 -0.22 2.22 1.09 0.21 0.13 121.20 128.87 1k3j s ILE 145 Ca 0.01 -0.15 -0.03 0.00 -1.10 0.00 0.00 60.65 59.38 1k3j s ILE 145 Cb -0.13 -3.01 -0.01 0.00 -1.06 0.00 0.00 42.46 38.25 1k3j s ILE 145 CO 0.03 0.44 -0.06 0.12 -0.10 0.00 0.00 174.94 175.37 1k3j s PHE 146 N 0.67 2.94 0.03 3.97 2.19 0.39 -2.46 117.98 125.71 1k3j s PHE 146 Ca 0.02 -0.99 -0.25 0.00 0.33 0.00 0.00 56.93 56.04 1k3j s PHE 146 Cb -0.13 -2.09 -0.05 0.00 -1.31 0.00 0.00 43.02 39.43 1k3j s PHE 146 CO 0.02 -0.57 0.76 0.42 1.83 0.00 0.00 175.22 177.68 1k3j s ILE 147 N 1.46 4.77 -0.56 3.12 1.01 -1.26 0.12 121.20 129.86 1k3j s ILE 147 Ca 0.06 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 62.04 1k3j s ILE 147 Cb -0.14 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1k3j s ILE 147 CO -0.04 0.35 1.13 0.20 0.00 0.00 0.00 174.94 176.58 1k3j s ASN 148 N 0.04 6.46 0.47 3.58 -0.87 -1.14 -4.89 114.94 118.58 1k3j s ASN 148 Ca 0.38 0.07 0.14 0.00 -1.57 0.00 0.00 52.86 51.89 1k3j s ASN 148 Cb -0.20 -2.53 1.10 0.00 -0.02 0.00 0.00 41.25 39.61 1k3j s ASN 148 CO 0.22 -1.38 2.06 -0.78 -2.57 0.00 0.00 177.10 174.65 1k3j h ASP 149 N 9.44 0.23 -0.51 -1.22 1.82 -1.93 -1.90 116.42 122.35 1k3j h ASP 149 Ca -0.25 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.41 1k3j h ASP 149 Cb 1.06 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 1k3j h ASP 149 CO 1.15 0.16 0.32 0.50 -1.61 0.00 0.00 179.24 179.76 1k3j h LYS 150 N 0.27 0.62 -0.60 0.28 3.11 -1.90 -0.49 116.57 117.85 1k3j h LYS 150 Ca 0.15 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.97 1k3j h LYS 150 Cb 0.24 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 1k3j h LYS 150 CO -0.03 0.41 0.38 0.35 -2.81 0.00 0.00 179.45 177.75 1k3j h PHE 151 N 0.64 0.71 -0.44 1.91 3.57 -1.57 -2.16 116.94 119.60 1k3j h PHE 151 Ca 0.20 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1k3j h PHE 151 Cb -0.02 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1k3j h PHE 151 CO -0.05 0.42 -0.03 0.87 -2.23 0.00 0.00 178.31 177.29 1k3j h LYS 152 N 0.75 0.73 -0.40 1.11 1.57 -1.32 -2.98 116.57 116.04 1k3j h LYS 152 Ca 0.24 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1k3j h LYS 152 Cb -0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1k3j h LYS 152 CO -0.09 0.76 0.23 1.96 -0.57 0.00 0.00 179.45 181.75 1k3j h GLN 153 N 0.68 0.45 -0.56 3.15 4.20 -0.47 0.19 115.11 122.76 1k3j h GLN 153 Ca 0.13 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1k3j h GLN 153 Cb 0.46 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1k3j h GLN 153 CO 0.02 0.30 0.35 0.00 -0.67 0.00 0.00 178.83 178.84 1k3j h LEU 155 N 0.71 0.62 -0.07 0.00 -0.00 -1.33 0.97 115.31 116.20 1k3j h LEU 155 Ca 0.21 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1k3j h LEU 155 Cb -0.03 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1k3j h LEU 155 CO -0.07 0.93 -0.08 -0.08 -0.00 0.00 0.00 178.44 179.14 1k3j h GLU 156 N 0.49 0.17 0.11 1.13 4.81 -0.14 -3.29 114.58 117.86 1k3j h GLU 156 Ca 0.05 -0.09 -0.27 0.00 -0.13 0.00 0.00 59.36 58.91 1k3j h GLU 156 Cb 0.87 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1k3j h GLU 156 CO 0.07 0.62 -1.19 0.37 -0.73 0.00 0.00 179.01 178.16 1k3j h GLN 157 N -0.27 0.40 -6.29 1.92 5.75 -0.52 -3.49 115.11 112.60 1k3j h GLN 157 Ca 0.01 -0.57 -0.15 0.00 -0.15 0.00 0.00 58.65 57.79 1k3j h GLN 157 Cb 0.59 0.20 0.01 0.00 1.07 0.00 0.00 27.48 29.35 1k3j h GLN 157 CO 0.02 1.24 -1.06 0.27 -2.65 0.00 0.00 178.83 176.65 1k3j n ASN 158 N -3.65 -6.35 -4.32 -0.69 0.23 0.33 -4.95 115.26 95.87 1k3j n ASN 158 Ca -0.10 0.28 -0.36 0.00 -0.53 0.00 0.00 54.58 53.87 1k3j n ASN 158 Cb 0.98 -2.08 -0.13 0.00 -2.08 0.00 0.00 39.78 36.47 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1k3j s LYS 159 N -1.67 3.11 -0.28 -3.83 2.20 -1.26 -5.08 119.74 112.93 1k3j s LYS 159 Ca 0.16 -0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 1k3j s LYS 159 Cb -0.02 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1k3j s LYS 159 CO 0.43 -0.39 0.19 0.14 -0.36 0.00 0.00 175.35 175.36 1k3j s VAL 160 N 1.47 5.30 -0.01 4.02 -7.23 -1.26 -4.82 120.40 117.87 1k3j s VAL 160 Ca 0.03 0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 1k3j s VAL 160 Cb -0.17 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.26 1k3j s VAL 160 CO 0.00 0.25 0.03 -0.67 -0.31 0.00 0.00 175.10 174.41 1k3j n ASP 161 N 5.06 -8.45 -4.43 4.85 -0.08 -1.26 -4.86 116.55 107.39 1k3j n ASP 161 Ca -0.14 1.82 -0.44 0.00 -1.51 0.00 0.00 54.79 54.52 1k3j n ASP 161 Cb 0.52 -5.29 -0.03 0.00 2.34 0.00 0.00 41.12 38.66 1k3j n ASP 161 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1k3j s ARG 162 N -0.62 3.34 -0.24 -0.67 6.06 -1.26 -5.01 118.95 120.55 1k3j s ARG 162 Ca -0.04 -1.46 -0.29 0.00 -2.50 0.00 0.00 55.73 51.44 1k3j s ARG 162 Cb 0.00 -4.55 0.01 0.00 0.06 0.00 0.00 34.95 30.47 1k3j s ARG 162 CO 0.11 -1.70 1.10 0.42 -2.50 0.00 0.00 175.30 172.72 1k3j s ILE 163 N 2.89 4.55 -2.19 4.11 1.01 -1.26 -5.30 121.20 125.01 1k3j s ILE 163 Ca 0.24 1.85 0.31 0.00 0.00 0.00 0.00 60.65 63.04 1k3j s ILE 163 Cb -0.13 -4.28 0.78 0.00 0.01 0.00 0.00 42.46 38.84 1k3j s ILE 163 CO -0.01 -0.26 2.05 -1.14 0.00 0.00 0.00 174.94 175.58