#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjk s THR 13 N 0.00 1.33 0.00 1.55 -4.23 -1.26 -4.50 115.64 108.52 1jjk s THR 13 Ca 0.00 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1jjk s THR 13 Cb 0.00 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1jjk s THR 13 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1jjk n ASN 14 N -1.62 3.98 -4.77 3.99 3.02 -1.25 -5.04 115.26 113.57 1jjk n ASN 14 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.04 1jjk n ASN 14 Cb 0.65 0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 40.41 1jjk n ASN 14 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1jjk s SER 15 N -2.09 6.52 -0.01 6.41 0.15 -1.26 -4.84 113.70 118.57 1jjk s SER 15 Ca 0.00 2.89 0.02 0.00 0.70 0.00 0.00 55.95 59.56 1jjk s SER 15 Cb 0.00 -2.66 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1jjk s SER 15 CO 0.00 -0.74 0.79 -0.81 1.20 0.00 0.00 173.24 173.67 1jjk n PRO 16 N 0.82 1.30 -3.52 5.44 -0.04 -1.26 -4.80 135.00 132.94 1jjk n PRO 16 Ca 0.01 -0.29 -0.37 0.00 -0.04 0.00 0.00 63.50 62.82 1jjk n PRO 16 Cb 0.40 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1jjk n PRO 16 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jjk s VAL 17 N -1.45 5.30 -0.15 0.52 1.01 -1.26 -4.27 120.40 120.10 1jjk s VAL 17 Ca 0.05 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1jjk s VAL 17 Cb 0.04 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1jjk s VAL 17 CO 0.02 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1jjk s VAL 18 N 0.58 1.62 -0.19 2.92 1.01 -1.26 -0.52 120.40 124.57 1jjk s VAL 18 Ca 0.16 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1jjk s VAL 18 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1jjk s VAL 18 CO 0.04 0.47 0.43 -0.69 0.00 0.00 0.00 175.10 175.35 1jjk s VAL 19 N 1.40 5.18 -0.51 2.92 1.01 0.16 -1.81 120.40 128.75 1jjk s VAL 19 Ca 0.04 0.80 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 1jjk s VAL 19 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jjk s VAL 19 CO -0.10 0.25 1.52 0.00 0.00 0.00 0.00 175.10 176.78 1jjk s ALA 20 N 1.23 2.78 -1.26 5.51 0.00 -0.52 -1.93 121.76 127.58 1jjk s ALA 20 Ca 0.21 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 1jjk s ALA 20 Cb -0.15 -4.09 0.07 0.00 0.00 0.00 0.00 23.12 18.96 1jjk s ALA 20 CO 0.08 -2.92 1.69 -0.51 0.00 0.00 0.00 175.76 174.11 1jjk s LEU 21 N 6.45 3.82 -0.83 0.00 1.43 -1.00 -4.73 118.68 123.82 1jjk s LEU 21 Ca 0.60 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1jjk s LEU 21 Cb -0.13 -2.57 0.34 0.00 0.03 0.00 0.00 46.19 43.86 1jjk s LEU 21 CO 0.27 -1.21 1.68 0.47 0.23 0.00 0.00 176.35 177.79 1jjk n ASP 22 N 8.40 6.68 -4.87 2.29 9.92 -1.26 -4.64 116.55 133.07 1jjk n ASP 22 Ca 0.47 -3.74 -0.32 0.00 -0.53 0.00 0.00 54.79 50.66 1jjk n ASP 22 Cb 0.47 -0.96 -0.05 0.00 -0.64 0.00 0.00 41.12 39.93 1jjk n ASP 22 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jjk s TYR 23 N -4.03 3.45 -1.29 1.24 1.51 -1.26 -4.98 117.35 111.98 1jjk s TYR 23 Ca 0.46 0.91 0.17 0.00 -1.01 0.00 0.00 57.07 57.59 1jjk s TYR 23 Cb 0.31 -2.28 0.65 0.00 -0.11 0.00 0.00 41.96 40.52 1jjk s TYR 23 CO -0.23 0.29 1.54 1.58 -1.11 0.00 0.00 175.55 177.62 1jjk n HIS 24 N 0.01 1.30 -3.73 2.71 -0.00 -1.26 -4.84 115.22 109.41 1jjk n HIS 24 Ca -0.00 -0.53 -0.12 0.00 0.46 0.00 0.00 57.72 57.52 1jjk n HIS 24 Cb 0.52 -0.20 -0.13 0.00 -0.12 0.00 0.00 29.99 30.06 1jjk n HIS 24 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1jjk s ASN 25 N -0.87 -0.26 0.11 0.26 2.47 -1.26 -5.06 114.94 110.33 1jjk s ASN 25 Ca 0.46 0.52 -0.20 0.00 0.42 0.00 0.00 52.86 54.06 1jjk s ASN 25 Cb 0.29 0.41 -0.07 0.00 -1.45 0.00 0.00 41.25 40.42 1jjk s ASN 25 CO 0.23 -0.16 1.72 -0.09 -3.72 0.00 0.00 177.10 175.07 1jjk h ARG 26 N 7.16 0.28 0.41 0.43 2.43 -2.00 -2.52 114.38 120.58 1jjk h ARG 26 Ca -0.40 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1jjk h ARG 26 Cb 1.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1jjk h ARG 26 CO 0.38 0.26 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.45 1jjk h ASP 27 N 0.23 -0.47 -0.99 -3.80 3.32 -1.97 0.28 116.42 113.02 1jjk h ASP 27 Ca 0.07 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.29 1jjk h ASP 27 Cb 0.05 0.12 -0.19 0.00 0.22 0.00 0.00 39.33 39.54 1jjk h ASP 27 CO -0.01 -0.26 -0.22 -0.78 -1.72 0.00 0.00 179.24 176.25 1jjk h ASP 28 N -0.66 -0.88 0.07 6.45 -0.00 -1.98 0.50 116.42 119.91 1jjk h ASP 28 Ca -0.06 0.30 -0.00 0.00 -0.00 0.00 0.00 57.03 57.27 1jjk h ASP 28 Cb 0.48 0.60 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 1jjk h ASP 28 CO 0.09 -0.33 -0.03 0.00 -0.00 0.00 0.00 179.24 178.97 1jjk h ALA 29 N 1.99 -0.09 -0.20 -0.78 0.00 -1.09 -3.03 119.26 116.06 1jjk h ALA 29 Ca 0.49 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1jjk h ALA 29 Cb 0.77 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jjk h ALA 29 CO -1.01 -0.28 0.24 -0.07 0.00 0.00 0.00 179.25 178.13 1jjk h LEU 30 N -0.63 0.00 0.25 0.00 3.38 0.15 -1.66 115.31 116.79 1jjk h LEU 30 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jjk h LEU 30 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jjk h LEU 30 CO 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.41 1jjk h ALA 31 N 1.71 -1.04 -0.77 1.53 0.00 0.04 -2.07 119.26 118.66 1jjk h ALA 31 Ca 0.10 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1jjk h ALA 31 Cb 0.57 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1jjk h ALA 31 CO -0.00 -1.02 -0.16 0.35 0.00 0.00 0.00 179.25 178.42 1jjk h PHE 32 N -0.36 -0.35 -0.35 0.00 3.57 -1.32 -1.77 116.94 116.35 1jjk h PHE 32 Ca -0.03 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1jjk h PHE 32 Cb 0.28 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1jjk h PHE 32 CO 0.09 -0.32 -0.06 0.28 -2.23 0.00 0.00 178.31 176.06 1jjk h VAL 33 N 0.01 0.67 -0.28 1.41 2.07 -1.18 -1.48 116.25 117.48 1jjk h VAL 33 Ca 0.38 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.91 1jjk h VAL 33 Cb 0.60 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1jjk h VAL 33 CO -0.78 0.00 0.18 0.44 0.02 0.00 0.00 177.57 177.44 1jjk h ASP 34 N 0.03 0.26 0.12 0.57 3.32 -0.60 -1.27 116.42 118.84 1jjk h ASP 34 Ca 0.17 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1jjk h ASP 34 Cb 0.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1jjk h ASP 34 CO -0.34 0.19 -0.18 0.11 -1.72 0.00 0.00 179.24 177.29 1jjk h LYS 35 N 0.31 0.13 0.00 3.56 1.57 -1.02 -3.44 116.57 117.68 1jjk h LYS 35 Ca 0.11 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1jjk h LYS 35 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1jjk h LYS 35 CO -0.02 0.32 -0.03 0.44 -0.57 0.00 0.00 179.45 179.59 1jjk n ILE 36 N -4.26 0.00 -3.71 1.86 -5.35 -0.48 -5.01 119.36 102.41 1jjk n ILE 36 Ca -0.01 -0.57 -0.13 0.00 -0.27 0.00 0.00 62.75 61.76 1jjk n ILE 36 Cb 0.28 -0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 37.31 1jjk n ILE 36 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jjk s ASP 37 N -2.02 -0.48 0.06 7.28 -1.08 -1.26 -4.98 116.67 114.18 1jjk s ASP 37 Ca 0.16 0.92 -0.11 0.00 -0.52 0.00 0.00 52.55 53.00 1jjk s ASP 37 Cb -0.01 0.94 -0.02 0.00 -1.46 0.00 0.00 42.92 42.36 1jjk s ASP 37 CO 0.10 -0.18 0.58 -2.65 0.52 0.00 0.00 175.17 173.54 1jjk n PRO 38 N 2.75 -0.15 -0.70 4.34 -0.02 -1.26 0.12 135.00 140.07 1jjk n PRO 38 Ca -0.14 0.57 0.53 0.00 -2.02 0.00 0.00 63.50 62.45 1jjk n PRO 38 Cb 0.57 -0.84 0.83 0.00 -0.02 0.00 0.00 33.50 34.03 1jjk n PRO 38 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jjk h ARG 39 N 0.00 0.00 0.05 -0.52 1.12 -1.97 0.14 114.38 113.21 1jjk h ARG 39 Ca 0.06 -0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.67 1jjk h ARG 39 Cb 0.14 -0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1jjk h ARG 39 CO -0.33 0.00 -1.04 -0.44 -3.11 0.00 0.00 179.97 175.05 1jjk h ASP 40 N 0.00 0.82 -5.56 -3.80 3.32 0.59 -3.32 116.42 108.47 1jjk h ASP 40 Ca 0.94 -0.79 0.22 0.00 0.02 0.00 0.00 57.03 57.43 1jjk h ASP 40 Cb 3.76 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 43.01 1jjk h ASP 40 CO -0.02 1.51 0.69 0.00 -1.72 0.00 0.00 179.24 179.70 1jjk s ARG 42 N -2.14 2.48 0.02 0.00 0.52 0.32 -4.51 118.95 115.64 1jjk s ARG 42 Ca 0.24 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1jjk s ARG 42 Cb -0.02 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1jjk s ARG 42 CO 0.03 0.46 0.08 -0.51 0.02 0.00 0.00 175.30 175.38 1jjk s LEU 43 N -2.96 3.85 -0.28 2.53 1.43 -0.87 -0.67 118.68 121.71 1jjk s LEU 43 Ca 0.28 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1jjk s LEU 43 Cb -0.09 -2.31 0.08 0.00 0.03 0.00 0.00 46.19 43.89 1jjk s LEU 43 CO 0.19 0.25 -0.01 -0.75 0.23 0.00 0.00 176.35 176.26 1jjk s LYS 44 N -1.89 1.51 0.08 1.70 2.20 -0.81 -1.19 119.74 121.34 1jjk s LYS 44 Ca 0.24 -1.27 -0.21 0.00 -0.36 0.00 0.00 55.97 54.38 1jjk s LYS 44 Cb -0.12 -2.68 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 1jjk s LYS 44 CO 0.16 -0.74 0.62 0.08 -0.36 0.00 0.00 175.35 175.10 1jjk s VAL 45 N 1.27 4.69 0.00 4.02 1.01 -0.79 -2.37 120.40 128.23 1jjk s VAL 45 Ca 0.01 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1jjk s VAL 45 Cb -0.19 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1jjk s VAL 45 CO -0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1jjk n GLY 46 N 1.80 5.13 0.36 4.51 0.00 -1.26 0.23 105.19 115.97 1jjk n GLY 46 Ca -0.09 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 1jjk n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjk h LYS 47 N 0.00 -0.25 0.00 1.61 1.57 -1.89 0.70 116.57 118.30 1jjk h LYS 47 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1jjk h LYS 47 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jjk h LYS 47 CO 0.00 -0.17 0.00 -1.91 -0.57 0.00 0.00 179.45 176.80 1jjk n GLU 48 N -5.42 0.00 0.00 3.15 2.13 -1.26 -0.92 120.64 118.33 1jjk n GLU 48 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1jjk n GLU 48 Cb 0.35 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 30.95 1jjk n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1jjk n PHE 50 N -0.42 0.00 0.25 4.31 -0.00 0.24 -2.64 117.46 119.20 1jjk n PHE 50 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.61 1jjk n PHE 50 Cb 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 39.48 40.28 1jjk n PHE 50 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1jjk h THR 51 N 0.00 0.00 0.01 -2.13 2.02 -1.23 0.11 112.91 111.69 1jjk h THR 51 Ca 0.00 -0.06 -0.39 0.00 0.77 0.00 0.00 66.41 66.74 1jjk h THR 51 Cb 0.00 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1jjk h THR 51 CO 0.00 0.00 -2.43 0.18 0.37 0.00 0.00 175.52 173.64 1jjk n LEU 52 N -2.59 2.64 0.00 2.58 4.77 -1.08 -4.74 117.00 118.58 1jjk n LEU 52 Ca -0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1jjk n LEU 52 Cb 0.08 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1jjk n LEU 52 CO 0.15 0.89 0.33 0.49 -1.33 0.00 0.00 177.39 177.92 1jjk n PHE 53 N -3.22 0.00 -3.87 -1.77 3.01 -1.11 -5.12 117.46 105.37 1jjk n PHE 53 Ca -0.43 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 57.82 1jjk n PHE 53 Cb 1.01 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 1jjk n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jjk n GLY 54 N -0.21 -0.19 0.12 1.37 0.00 0.37 -3.02 105.19 103.62 1jjk n GLY 54 Ca 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1jjk n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jjk n PRO 55 N -1.03 0.16 -0.07 1.61 -0.04 -1.26 -2.74 135.00 131.63 1jjk n PRO 55 Ca 0.00 0.44 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1jjk n PRO 55 Cb 0.00 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 1jjk n PRO 55 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1jjk h GLN 56 N 0.00 0.27 0.00 0.54 5.75 -1.98 -0.83 115.11 118.86 1jjk h GLN 56 Ca 0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1jjk h GLN 56 Cb 0.28 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1jjk h GLN 56 CO 0.00 0.18 -0.14 0.35 -2.65 0.00 0.00 178.83 176.57 1jjk h PHE 57 N 0.27 0.00 -0.09 3.99 3.57 -1.42 -1.03 116.94 122.24 1jjk h PHE 57 Ca 0.11 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1jjk h PHE 57 Cb 0.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1jjk h PHE 57 CO -0.10 0.14 -0.46 0.28 -2.23 0.00 0.00 178.31 175.94 1jjk h VAL 58 N 0.00 1.33 -0.46 1.41 2.07 -1.29 -2.50 116.25 116.82 1jjk h VAL 58 Ca -0.00 -1.64 -0.13 0.00 0.82 0.00 0.00 66.70 65.75 1jjk h VAL 58 Cb 0.24 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1jjk h VAL 58 CO 0.02 0.48 -0.22 0.03 0.02 0.00 0.00 177.57 177.90 1jjk h ARG 59 N 0.17 0.94 -0.08 1.57 3.08 -0.13 -1.98 114.38 117.95 1jjk h ARG 59 Ca 0.01 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1jjk h ARG 59 Cb 0.88 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1jjk h ARG 59 CO 0.07 1.06 0.05 0.93 -1.07 0.00 0.00 179.97 181.01 1jjk h GLU 60 N 0.81 0.10 -0.11 0.04 5.08 -1.20 0.49 114.58 119.79 1jjk h GLU 60 Ca 0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1jjk h GLU 60 Cb 0.79 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1jjk h GLU 60 CO 0.07 0.08 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.06 1jjk h LEU 61 N 0.10 0.13 -0.05 1.33 3.38 -1.36 -1.45 115.31 117.39 1jjk h LEU 61 Ca 0.03 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1jjk h LEU 61 Cb -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1jjk h LEU 61 CO -0.01 0.19 -1.02 1.56 0.09 0.00 0.00 178.44 179.26 1jjk h GLN 62 N 0.15 0.09 -0.25 1.13 4.20 -0.64 -2.97 115.11 116.81 1jjk h GLN 62 Ca 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1jjk h GLN 62 Cb 0.15 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1jjk h GLN 62 CO 0.00 1.02 0.10 0.37 -0.67 0.00 0.00 178.83 179.66 1jjk h GLN 63 N 0.03 0.34 -0.02 1.46 5.75 0.10 0.27 115.11 123.04 1jjk h GLN 63 Ca -0.04 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1jjk h GLN 63 Cb 1.74 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.22 1jjk h GLN 63 CO 0.14 0.29 0.00 0.54 -2.65 0.00 0.00 178.83 177.15 1jjk n ARG 64 N -4.44 1.16 0.00 1.69 1.74 -0.88 -4.93 116.66 111.00 1jjk n ARG 64 Ca 0.01 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1jjk n ARG 64 Cb 0.12 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1jjk n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jjk n GLY 65 N 0.96 1.67 3.76 -0.13 0.00 0.93 -4.84 105.19 107.54 1jjk n GLY 65 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1jjk n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jjk s PHE 66 N -2.33 2.61 -0.21 1.61 0.40 -1.13 -4.90 117.98 114.02 1jjk s PHE 66 Ca 0.00 1.37 -0.16 0.00 -0.60 0.00 0.00 56.93 57.54 1jjk s PHE 66 Cb 0.00 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1jjk s PHE 66 CO 0.00 -1.92 0.42 -0.51 0.70 0.00 0.00 175.22 173.91 1jjk s ASP 67 N -3.54 6.44 -0.01 1.36 1.11 -1.26 -4.50 116.67 116.27 1jjk s ASP 67 Ca 0.61 0.52 -0.02 0.00 0.18 0.00 0.00 52.55 53.85 1jjk s ASP 67 Cb -0.17 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1jjk s ASP 67 CO 0.56 -0.11 0.14 -0.63 1.18 0.00 0.00 175.17 176.31 1jjk s ILE 68 N 1.46 5.13 -0.35 0.77 -1.09 -1.26 -2.05 121.20 123.81 1jjk s ILE 68 Ca 0.20 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1jjk s ILE 68 Cb -0.15 -3.37 0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1jjk s ILE 68 CO 0.08 0.34 0.09 0.12 -1.23 0.00 0.00 174.94 174.34 1jjk s PHE 69 N -1.26 3.60 -0.47 3.97 5.36 -0.33 -1.26 117.98 127.59 1jjk s PHE 69 Ca 0.25 -2.59 -0.29 0.00 -0.96 0.00 0.00 56.93 53.34 1jjk s PHE 69 Cb -0.12 -2.85 0.01 0.00 -0.34 0.00 0.00 43.02 39.72 1jjk s PHE 69 CO 0.16 -0.93 1.36 -1.17 -1.46 0.00 0.00 175.22 173.18 1jjk s LEU 70 N 1.05 3.54 -0.86 6.12 2.96 -1.26 -1.89 118.68 128.33 1jjk s LEU 70 Ca 0.06 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1jjk s LEU 70 Cb -0.21 -3.41 0.22 0.00 0.50 0.00 0.00 46.19 43.30 1jjk s LEU 70 CO -0.05 -1.48 0.77 -0.62 -1.32 0.00 0.00 176.35 173.65 1jjk s ASP 71 N 3.78 6.35 0.00 3.68 2.15 0.14 -2.55 116.67 130.22 1jjk s ASP 71 Ca 0.56 -3.19 0.06 0.00 0.43 0.00 0.00 52.55 50.42 1jjk s ASP 71 Cb -0.11 -2.06 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 1jjk s ASP 71 CO 0.30 -0.37 0.55 0.18 -0.17 0.00 0.00 175.17 175.67 1jjk n LEU 72 N 3.17 1.12 -4.03 -1.34 4.77 -1.26 -2.82 117.00 116.61 1jjk n LEU 72 Ca 0.17 -0.84 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 1jjk n LEU 72 Cb 0.41 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1jjk n LEU 72 CO 0.37 0.24 -0.15 0.29 -1.33 0.00 0.00 177.39 176.81 1jjk n LYS 73 N -0.12 -0.35 -1.58 3.23 5.02 -1.26 -4.78 118.16 118.31 1jjk n LYS 73 Ca 0.03 -0.05 -0.48 0.00 -2.02 0.00 0.00 58.31 55.79 1jjk n LYS 73 Cb 0.14 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1jjk n LYS 73 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jjk n PHE 74 N -4.37 1.30 -2.90 2.13 0.99 -1.18 -4.33 117.46 109.11 1jjk n PHE 74 Ca -0.10 0.68 -0.10 0.00 -0.00 0.00 0.00 57.45 57.93 1jjk n PHE 74 Cb 0.46 -2.28 -0.01 0.00 -1.00 0.00 0.00 39.48 36.66 1jjk n PHE 74 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 1jjk n HIS 75 N 1.22 -3.06 -3.30 1.38 -0.00 -1.26 -0.38 115.22 109.81 1jjk n HIS 75 Ca 0.14 -1.89 0.00 0.00 0.46 0.00 0.00 57.72 56.43 1jjk n HIS 75 Cb 0.27 1.19 0.00 0.00 -0.12 0.00 0.00 29.99 31.32 1jjk n HIS 75 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1jjk n ASP 76 N 2.64 0.50 -4.80 0.26 -0.08 -1.26 -5.07 116.55 108.75 1jjk n ASP 76 Ca 0.19 -0.30 -0.34 0.00 -1.51 0.00 0.00 54.79 52.83 1jjk n ASP 76 Cb 0.55 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.98 1jjk n ASP 76 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1jjk s ILE 77 N -0.87 3.82 0.30 5.18 -4.36 -1.26 -4.77 121.20 119.24 1jjk s ILE 77 Ca 0.00 1.18 -0.01 0.00 -0.26 0.00 0.00 60.65 61.56 1jjk s ILE 77 Cb 0.00 -3.50 0.42 0.00 1.25 0.00 0.00 42.46 40.62 1jjk s ILE 77 CO 0.00 -0.20 1.57 -0.65 0.24 0.00 0.00 174.94 175.90 1jjk h PRO 78 N 1.76 0.01 0.21 0.37 0.11 -1.93 0.08 132.00 132.61 1jjk h PRO 78 Ca -0.49 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1jjk h PRO 78 Cb 1.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1jjk h PRO 78 CO 0.60 0.01 -0.23 -0.97 -0.21 0.00 0.00 178.00 177.19 1jjk h ASN 79 N 0.01 -0.62 -0.22 -2.05 -0.73 -1.97 -2.03 115.58 107.96 1jjk h ASN 79 Ca 0.56 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.83 1jjk h ASN 79 Cb 1.08 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.85 1jjk h ASN 79 CO -0.94 -0.34 -0.00 0.74 -0.37 0.00 0.00 177.43 176.53 1jjk h THR 80 N -0.48 0.84 -0.28 -3.57 2.02 -1.39 -2.27 112.91 107.78 1jjk h THR 80 Ca 0.00 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1jjk h THR 80 Cb 0.46 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.56 1jjk h THR 80 CO -0.07 0.01 -0.54 0.00 0.37 0.00 0.00 175.52 175.29 1jjk h ALA 81 N 1.19 -0.80 -0.78 6.16 0.00 -1.07 0.24 119.26 124.20 1jjk h ALA 81 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1jjk h ALA 81 Cb 0.14 1.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1jjk h ALA 81 CO -0.18 -1.05 0.44 0.00 0.00 0.00 0.00 179.25 178.45 1jjk h ALA 82 N -0.11 1.09 -0.54 0.00 0.00 -1.19 0.16 119.26 118.67 1jjk h ALA 82 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1jjk h ALA 82 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jjk h ALA 82 CO -0.52 0.08 0.11 0.45 0.00 0.00 0.00 179.25 179.36 1jjk h HIS 83 N 0.75 0.94 0.36 0.00 -0.00 -0.69 -2.05 115.15 114.45 1jjk h HIS 83 Ca 0.37 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1jjk h HIS 83 Cb 0.32 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1jjk h HIS 83 CO -0.07 0.83 -0.17 0.00 -0.00 0.00 0.00 177.93 178.51 1jjk h ALA 84 N 1.00 -0.48 -0.65 2.45 0.00 0.37 -1.31 119.26 120.64 1jjk h ALA 84 Ca 0.17 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1jjk h ALA 84 Cb 0.38 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1jjk h ALA 84 CO 0.01 -0.76 0.16 0.28 0.00 0.00 0.00 179.25 178.94 1jjk h VAL 85 N -0.50 0.61 -0.24 0.00 2.07 -0.60 0.87 116.25 118.46 1jjk h VAL 85 Ca -0.05 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1jjk h VAL 85 Cb 0.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1jjk h VAL 85 CO 0.08 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 1jjk h ALA 86 N 1.52 1.32 -0.17 1.67 0.00 -1.13 -0.08 119.26 122.39 1jjk h ALA 86 Ca 0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jjk h ALA 86 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jjk h ALA 86 CO -0.43 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.22 1jjk h ALA 87 N 1.49 1.60 -0.09 0.00 0.00 0.33 0.54 119.26 123.14 1jjk h ALA 87 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1jjk h ALA 87 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jjk h ALA 87 CO 0.03 0.29 -0.36 0.00 0.00 0.00 0.00 179.25 179.22 1jjk h ALA 88 N 1.71 0.16 -0.26 0.00 0.00 -0.43 -2.47 119.26 117.96 1jjk h ALA 88 Ca 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1jjk h ALA 88 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jjk h ALA 88 CO 0.01 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.73 1jjk h ALA 89 N 0.46 2.06 -0.08 0.00 0.00 -0.05 0.31 119.26 121.95 1jjk h ALA 89 Ca -0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1jjk h ALA 89 Cb 1.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1jjk h ALA 89 CO 0.07 -0.36 -0.84 -0.44 0.00 0.00 0.00 179.25 177.68 1jjk h ASP 90 N 0.00 0.77 0.12 0.00 3.32 -0.67 -3.12 116.42 116.84 1jjk h ASP 90 Ca 0.12 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1jjk h ASP 90 Cb 0.58 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1jjk h ASP 90 CO -0.00 1.33 -0.05 0.25 -1.72 0.00 0.00 179.24 179.05 1jjk h LEU 91 N 0.41 0.00 0.00 1.55 6.46 -0.49 -3.46 115.31 119.78 1jjk h LEU 91 Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1jjk h LEU 91 Cb 1.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1jjk h LEU 91 CO 0.16 0.05 0.00 0.61 -0.62 0.00 0.00 178.44 178.64 1jjk n GLY 92 N -1.13 0.68 3.45 3.75 0.00 -0.99 -4.97 105.19 105.98 1jjk n GLY 92 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1jjk n GLY 92 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jjk n VAL 93 N -2.02 2.04 0.44 1.61 0.24 -1.25 -4.97 118.33 114.42 1jjk n VAL 93 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 1jjk n VAL 93 Cb 0.00 -0.61 0.45 0.00 -1.47 0.00 0.00 33.84 32.21 1jjk n VAL 93 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1jjk n TRP 94 N -1.68 0.65 -3.59 6.34 -0.00 -0.39 -4.25 117.44 114.51 1jjk n TRP 94 Ca 0.11 0.25 -0.09 0.00 -0.00 0.00 0.00 57.50 57.77 1jjk n TRP 94 Cb 0.47 -0.90 -0.05 0.00 -0.00 0.00 0.00 31.31 30.83 1jjk n TRP 94 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1jjk s VAL 96 N -3.24 0.00 0.13 5.87 0.11 0.42 -1.33 120.40 122.35 1jjk s VAL 96 Ca 0.05 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1jjk s VAL 96 Cb 0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1jjk s VAL 96 CO 0.38 0.00 0.35 0.21 -3.33 0.00 0.00 175.10 172.71 1jjk s ASN 97 N -1.09 6.47 -0.11 3.54 3.84 -1.06 -2.56 114.94 123.98 1jjk s ASN 97 Ca 0.00 0.54 -0.24 0.00 0.21 0.00 0.00 52.86 53.38 1jjk s ASN 97 Cb -0.01 -2.07 0.06 0.00 -0.55 0.00 0.00 41.25 38.68 1jjk s ASN 97 CO -0.00 0.07 0.57 -0.69 -2.79 0.00 0.00 177.10 174.26 1jjk s VAL 98 N -1.63 0.01 -0.23 -5.21 1.01 -0.67 -3.08 120.40 110.61 1jjk s VAL 98 Ca 0.40 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1jjk s VAL 98 Cb -0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1jjk s VAL 98 CO 0.25 -0.05 0.64 -1.00 0.00 0.00 0.00 175.10 174.94 1jjk s HIS 99 N -0.67 3.32 0.37 5.22 3.76 0.49 0.81 115.29 128.58 1jjk s HIS 99 Ca -0.08 0.88 0.06 0.00 -0.15 0.00 0.00 55.06 55.77 1jjk s HIS 99 Cb -0.03 -2.84 0.73 0.00 1.11 0.00 0.00 32.58 31.56 1jjk s HIS 99 CO 0.05 -0.28 1.97 0.00 -0.85 0.00 0.00 174.74 175.64 1jjk h ALA 100 N 7.73 1.55 0.00 -1.40 0.00 -1.42 -1.69 119.26 124.03 1jjk h ALA 100 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1jjk h ALA 100 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jjk h ALA 100 CO 0.78 0.35 0.01 0.43 0.00 0.00 0.00 179.25 180.83 1jjk n SER 101 N -4.38 0.00 -0.19 0.00 7.64 -1.26 -1.47 113.62 113.95 1jjk n SER 101 Ca 0.03 0.17 0.14 0.00 1.01 0.00 0.00 58.87 60.22 1jjk n SER 101 Cb 0.14 -0.17 0.62 0.00 -1.01 0.00 0.00 64.21 63.79 1jjk n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jjk n GLY 102 N -1.14 -0.72 0.00 0.23 0.00 -0.63 -5.04 105.19 97.89 1jjk n GLY 102 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1jjk n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jjk n GLY 103 N 1.22 0.48 0.11 -0.02 0.00 -0.55 -4.82 105.19 101.62 1jjk n GLY 103 Ca 0.17 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1jjk n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjk h ALA 104 N 0.00 -0.20 0.00 4.61 0.00 -1.94 -3.42 119.26 118.31 1jjk h ALA 104 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1jjk h ALA 104 Cb 0.00 0.08 0.06 0.00 0.00 0.00 0.00 17.79 17.93 1jjk h ALA 104 CO 0.00 -0.59 0.85 0.54 0.00 0.00 0.00 179.25 180.05 1jjk n ARG 105 N -5.15 0.00 0.00 0.00 1.74 -1.26 -4.45 116.66 107.53 1jjk n ARG 105 Ca -0.09 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 1jjk n ARG 105 Cb 0.12 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1jjk n ARG 105 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1jjk n THR 108 N 4.95 0.00 -0.12 0.55 -1.04 -1.26 -4.65 114.28 112.71 1jjk n THR 108 Ca 0.18 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.13 1jjk n THR 108 Cb 0.25 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.77 1jjk n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jjk h ALA 109 N 0.00 0.49 0.13 2.41 0.00 -1.91 -1.93 119.26 118.46 1jjk h ALA 109 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jjk h ALA 109 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jjk h ALA 109 CO 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.02 1jjk h ALA 110 N 1.21 -0.18 -0.28 0.00 0.00 -1.86 -1.92 119.26 116.23 1jjk h ALA 110 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1jjk h ALA 110 Cb 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1jjk h ALA 110 CO -0.12 -0.60 -0.44 -0.09 0.00 0.00 0.00 179.25 178.01 1jjk h ARG 111 N -0.19 -0.39 -0.64 0.00 2.43 -1.85 -1.59 114.38 112.14 1jjk h ARG 111 Ca -0.02 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1jjk h ARG 111 Cb 0.14 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 1jjk h ARG 111 CO 0.03 -0.26 0.26 0.93 -1.51 0.00 0.00 179.97 179.41 1jjk h GLU 112 N -0.41 0.43 0.00 0.20 5.08 -1.25 -0.16 114.58 118.47 1jjk h GLU 112 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jjk h GLU 112 Cb 0.61 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1jjk h GLU 112 CO -0.50 0.28 0.34 0.00 -1.00 0.00 0.00 179.01 178.13 1jjk h ALA 113 N 1.44 1.28 0.00 3.43 0.00 -0.46 -1.17 119.26 123.77 1jjk h ALA 113 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1jjk h ALA 113 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1jjk h ALA 113 CO -0.31 -0.28 -1.77 1.28 0.00 0.00 0.00 179.25 178.17 1jjk n LEU 114 N -2.38 0.40 -0.35 0.00 4.77 -0.08 -4.36 117.00 115.01 1jjk n LEU 114 Ca -0.01 0.17 0.24 0.00 -0.03 0.00 0.00 56.01 56.38 1jjk n LEU 114 Cb 0.37 0.14 0.48 0.00 -2.33 0.00 0.00 43.42 42.08 1jjk n LEU 114 CO 0.08 0.15 1.15 0.58 -1.33 0.00 0.00 177.39 178.02 1jjk h VAL 115 N 0.00 0.35 0.00 4.08 2.07 -1.21 0.31 116.25 121.85 1jjk h VAL 115 Ca -0.19 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jjk h VAL 115 Cb 1.50 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1jjk h VAL 115 CO 0.02 0.06 0.05 -0.65 0.02 0.00 0.00 177.57 177.08 1jjk h PRO 116 N 0.36 0.00 0.00 1.57 0.11 -1.76 -1.45 132.00 130.83 1jjk h PRO 116 Ca 0.71 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.82 1jjk h PRO 116 Cb 1.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.78 1jjk h PRO 116 CO -0.53 0.00 -0.95 1.19 -0.21 0.00 0.00 178.00 177.51 1jjk n PHE 117 N -2.88 0.00 0.00 0.65 3.01 0.11 -5.03 117.46 113.32 1jjk n PHE 117 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1jjk n PHE 117 Cb 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1jjk n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jjk n GLY 118 N 1.44 1.96 0.25 1.37 0.00 -0.55 -1.23 105.19 108.43 1jjk n GLY 118 Ca 0.03 0.46 0.14 0.00 0.00 0.00 0.00 46.02 46.65 1jjk n GLY 118 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jjk h LYS 119 N 0.00 0.00 -0.17 1.61 1.63 -1.93 -2.75 116.57 114.96 1jjk h LYS 119 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jjk h LYS 119 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1jjk h LYS 119 CO 0.00 0.11 0.00 -0.25 -3.45 0.00 0.00 179.45 175.86 1jjk n ASP 120 N -3.24 1.62 -4.75 4.20 8.00 -0.36 -4.92 116.55 117.10 1jjk n ASP 120 Ca 0.01 -1.71 -0.41 0.00 0.71 0.00 0.00 54.79 53.38 1jjk n ASP 120 Cb 0.37 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1jjk n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jjk s ALA 121 N -1.78 3.46 1.04 2.24 0.00 -1.04 -4.98 121.76 120.70 1jjk s ALA 121 Ca 0.32 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 1jjk s ALA 121 Cb 0.17 -3.42 0.21 0.00 0.00 0.00 0.00 23.12 20.08 1jjk s ALA 121 CO 0.25 -0.42 1.12 -1.25 0.00 0.00 0.00 175.76 175.47 1jjk s PRO 122 N -1.04 0.07 0.06 0.00 0.04 -1.26 -4.96 135.00 127.91 1jjk s PRO 122 Ca 0.50 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 1jjk s PRO 122 Cb -0.35 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1jjk s PRO 122 CO 0.43 -2.91 0.96 -0.51 0.04 0.00 0.00 177.00 175.01 1jjk s LEU 123 N -6.49 4.44 -0.32 -3.56 1.43 -0.44 -4.83 118.68 108.90 1jjk s LEU 123 Ca 0.67 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 1jjk s LEU 123 Cb -0.15 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1jjk s LEU 123 CO 0.56 -0.15 0.18 -0.22 0.23 0.00 0.00 176.35 176.96 1jjk s LEU 124 N 0.43 4.25 0.05 1.79 2.96 -1.26 -0.44 118.68 126.47 1jjk s LEU 124 Ca 0.49 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1jjk s LEU 124 Cb -0.22 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1jjk s LEU 124 CO 0.29 -0.20 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.34 1jjk s ILE 125 N 1.66 1.16 -0.08 6.68 1.09 -1.06 -1.43 121.20 129.22 1jjk s ILE 125 Ca 0.05 -1.12 0.02 0.00 -1.10 0.00 0.00 60.65 58.50 1jjk s ILE 125 Cb -0.17 -1.07 -0.03 0.00 -1.06 0.00 0.00 42.46 40.14 1jjk s ILE 125 CO 0.08 -0.05 -0.11 0.00 -0.10 0.00 0.00 174.94 174.75 1jjk s ALA 126 N -0.98 2.78 -0.05 9.38 0.00 -1.11 -1.66 121.76 130.11 1jjk s ALA 126 Ca 0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1jjk s ALA 126 Cb -0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1jjk s ALA 126 CO 0.02 0.48 1.00 0.08 0.00 0.00 0.00 175.76 177.33 1jjk s VAL 127 N -0.47 4.82 0.00 0.00 1.01 0.24 -0.15 120.40 125.85 1jjk s VAL 127 Ca 0.06 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1jjk s VAL 127 Cb -0.12 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1jjk s VAL 127 CO 0.02 0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.55 1jjk n THR 128 N 4.24 0.00 -4.11 3.92 -2.24 -0.42 -1.16 114.28 114.50 1jjk n THR 128 Ca 0.07 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1jjk n THR 128 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1jjk n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jjk s VAL 129 N 0.31 4.72 0.25 2.28 1.01 -1.26 -4.71 120.40 122.99 1jjk s VAL 129 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1jjk s VAL 129 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1jjk s VAL 129 CO 0.00 0.53 1.43 -0.76 0.00 0.00 0.00 175.10 176.30 1jjk s LEU 130 N -0.23 4.39 0.65 3.92 1.43 -1.26 -4.67 118.68 122.90 1jjk s LEU 130 Ca 0.08 2.66 0.33 0.00 -1.03 0.00 0.00 54.13 56.16 1jjk s LEU 130 Cb -0.12 -3.62 1.80 0.00 0.03 0.00 0.00 46.19 44.27 1jjk s LEU 130 CO 0.02 -0.69 2.03 0.71 0.23 0.00 0.00 176.35 178.65 1jjk h THR 131 N 3.54 0.07 -0.29 5.49 1.35 -1.94 -3.45 112.91 117.68 1jjk h THR 131 Ca -0.46 0.00 -0.68 0.00 -0.55 0.00 0.00 66.41 64.72 1jjk h THR 131 Cb 1.22 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1jjk h THR 131 CO 0.77 0.00 3.45 -1.54 -0.25 0.00 0.00 175.52 177.96 1jjk n SER 132 N -3.07 8.56 -3.61 5.36 3.41 -1.26 -2.33 113.62 120.68 1jjk n SER 132 Ca -0.01 -2.71 -0.01 0.00 -0.26 0.00 0.00 58.87 55.88 1jjk n SER 132 Cb 0.33 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.76 1jjk n SER 132 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1jjk s GLU 134 N 1.32 0.23 0.58 4.33 2.02 -1.26 -4.64 118.70 121.28 1jjk s GLU 134 Ca 0.66 -0.11 0.28 0.00 0.02 0.00 0.00 54.97 55.83 1jjk s GLU 134 Cb 0.18 0.09 1.49 0.00 0.10 0.00 0.00 34.13 36.00 1jjk s GLU 134 CO -0.07 -0.10 1.94 0.00 0.02 0.00 0.00 175.26 177.05 1jjk h ALA 135 N 2.00 2.23 0.00 5.21 0.00 -1.94 0.50 119.26 127.25 1jjk h ALA 135 Ca -0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1jjk h ALA 135 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jjk h ALA 135 CO 0.25 -0.68 -0.18 0.66 0.00 0.00 0.00 179.25 179.29 1jjk h SER 136 N 0.00 0.00 0.15 0.00 4.64 -1.99 -0.77 113.55 115.57 1jjk h SER 136 Ca 0.22 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.20 1jjk h SER 136 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1jjk h SER 136 CO -0.00 0.18 -1.78 0.44 -0.87 0.00 0.00 176.83 174.80 1jjk h ASP 137 N 0.00 0.49 0.49 4.97 5.19 -0.44 -3.30 116.42 123.82 1jjk h ASP 137 Ca -0.00 -0.92 -0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1jjk h ASP 137 Cb 0.44 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 1jjk h ASP 137 CO 0.02 1.79 -0.01 -0.07 -3.12 0.00 0.00 179.24 177.85 1jjk h LEU 138 N -0.00 0.00 -0.63 1.55 3.38 -1.29 -2.25 115.31 116.06 1jjk h LEU 138 Ca -0.37 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1jjk h LEU 138 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1jjk h LEU 138 CO 0.11 0.01 -0.31 1.62 0.09 0.00 0.00 178.44 179.96 1jjk h VAL 139 N 0.00 1.28 0.00 1.22 3.04 -1.22 -2.50 116.25 118.07 1jjk h VAL 139 Ca -0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1jjk h VAL 139 Cb 0.25 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1jjk h VAL 139 CO 0.00 0.48 0.07 0.44 -1.01 0.00 0.00 177.57 177.55 1jjk h ASP 140 N 0.63 0.00 -1.82 3.17 3.32 -1.53 -3.39 116.42 116.80 1jjk h ASP 140 Ca 0.07 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.65 1jjk h ASP 140 Cb 0.83 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1jjk h ASP 140 CO 0.07 0.00 -0.40 -0.76 -1.72 0.00 0.00 179.24 176.43 1jjk s LEU 141 N -5.84 3.75 -0.32 1.55 1.43 -0.94 -5.17 118.68 113.13 1jjk s LEU 141 Ca -0.04 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 1jjk s LEU 141 Cb 0.11 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1jjk s LEU 141 CO 0.35 -0.40 1.93 -0.83 0.23 0.00 0.00 176.35 177.63 1jjk s GLY 142 N -4.07 0.65 0.00 -3.19 0.00 -1.26 -4.92 107.32 94.52 1jjk s GLY 142 Ca 0.43 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1jjk s GLY 142 CO 0.28 3.44 0.00 -1.30 0.00 0.00 0.00 173.10 175.52 1jjk n THR 144 N 7.51 0.00 0.00 0.90 -2.24 -1.26 -5.08 114.28 114.11 1jjk n THR 144 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1jjk n THR 144 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1jjk n THR 144 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jjk n LEU 145 N -0.05 0.00 -3.54 3.22 7.99 -1.26 -5.08 117.00 118.29 1jjk n LEU 145 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1jjk n LEU 145 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1jjk n LEU 145 CO 0.00 0.00 0.29 -0.94 -1.51 0.00 0.00 177.39 175.23 1jjk s SER 146 N -2.26 -0.40 0.00 -1.43 1.04 -1.26 -4.96 113.70 104.43 1jjk s SER 146 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1jjk s SER 146 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1jjk s SER 146 CO 0.00 -0.93 0.26 -2.65 0.98 0.00 0.00 173.24 170.90 1jjk n PRO 147 N -0.31 0.00 -0.30 4.02 -0.02 -1.26 -0.51 135.00 136.62 1jjk n PRO 147 Ca -0.16 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1jjk n PRO 147 Cb 0.64 -0.76 0.19 0.00 -0.02 0.00 0.00 33.50 33.55 1jjk n PRO 147 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jjk n ALA 148 N -1.91 0.34 0.03 3.55 0.00 -1.26 -1.20 120.51 120.05 1jjk n ALA 148 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 53.44 54.34 1jjk n ALA 148 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1jjk n ALA 148 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jjk h ASP 149 N 0.00 -0.11 -0.46 0.00 3.32 -1.82 -2.57 116.42 114.78 1jjk h ASP 149 Ca 0.47 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.60 1jjk h ASP 149 Cb 0.87 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.36 1jjk h ASP 149 CO -0.83 -0.05 -0.42 0.22 -1.72 0.00 0.00 179.24 176.44 1jjk h TYR 150 N -0.08 -1.22 -0.93 4.55 3.20 0.39 0.46 116.97 123.33 1jjk h TYR 150 Ca -0.01 0.07 0.27 0.00 3.14 0.00 0.00 58.73 62.20 1jjk h TYR 150 Cb 0.07 0.60 -0.14 0.00 1.54 0.00 0.00 36.73 38.80 1jjk h TYR 150 CO -0.04 -0.43 0.39 0.00 -1.64 0.00 0.00 178.16 176.44 1jjk h ALA 151 N 0.52 1.57 -0.44 1.82 0.00 -1.19 0.14 119.26 121.68 1jjk h ALA 151 Ca 0.16 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jjk h ALA 151 Cb 0.57 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1jjk h ALA 151 CO -0.61 -0.49 0.27 1.49 0.00 0.00 0.00 179.25 179.91 1jjk h GLU 152 N 0.29 0.59 -0.08 0.00 4.81 -0.48 0.14 114.58 119.84 1jjk h GLU 152 Ca 0.63 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 1jjk h GLU 152 Cb 1.33 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1jjk h GLU 152 CO -0.62 0.43 -0.10 -0.09 -0.73 0.00 0.00 179.01 177.90 1jjk h ARG 153 N 0.58 -0.12 -0.19 1.92 2.43 -0.49 0.10 114.38 118.61 1jjk h ARG 153 Ca 0.16 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1jjk h ARG 153 Cb -0.01 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1jjk h ARG 153 CO -0.03 -0.08 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.19 1jjk h LEU 154 N -0.13 -0.31 -0.94 3.80 4.07 -1.10 -1.48 115.31 119.23 1jjk h LEU 154 Ca 0.07 0.08 0.15 0.00 0.08 0.00 0.00 57.88 58.25 1jjk h LEU 154 Cb 0.22 0.17 -0.09 0.00 1.08 0.00 0.00 40.66 42.04 1jjk h LEU 154 CO -0.16 -0.12 0.55 0.00 -1.08 0.00 0.00 178.44 177.63 1jjk h ALA 155 N 1.10 1.47 -0.21 1.53 0.00 -0.07 0.12 119.26 123.20 1jjk h ALA 155 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jjk h ALA 155 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1jjk h ALA 155 CO -0.24 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.11 1jjk h ALA 156 N 1.58 0.27 -0.62 0.00 0.00 0.15 -0.17 119.26 120.47 1jjk h ALA 156 Ca 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1jjk h ALA 156 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1jjk h ALA 156 CO -0.34 -0.14 0.35 1.25 0.00 0.00 0.00 179.25 180.37 1jjk h LEU 157 N 0.18 0.75 -0.64 0.00 5.85 -0.34 -0.79 115.31 120.32 1jjk h LEU 157 Ca 0.07 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1jjk h LEU 157 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1jjk h LEU 157 CO -0.01 0.59 0.04 0.74 -0.34 0.00 0.00 178.44 179.47 1jjk h THR 158 N 0.85 1.27 0.98 1.05 2.02 -0.36 -2.14 112.91 116.58 1jjk h THR 158 Ca 0.22 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 1jjk h THR 158 Cb 0.00 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1jjk h THR 158 CO -0.04 0.41 -0.49 -0.61 0.37 0.00 0.00 175.52 175.17 1jjk h GLN 159 N 1.01 -1.29 -0.89 6.66 5.75 -0.20 -2.94 115.11 123.22 1jjk h GLN 159 Ca 0.19 0.09 0.23 0.00 -0.15 0.00 0.00 58.65 59.01 1jjk h GLN 159 Cb 0.52 0.29 -0.13 0.00 1.07 0.00 0.00 27.48 29.23 1jjk h GLN 159 CO 0.02 -0.86 0.34 0.87 -2.65 0.00 0.00 178.83 176.55 1jjk h LYS 160 N -1.34 0.30 0.00 1.69 1.57 -1.07 0.13 116.57 117.85 1jjk h LYS 160 Ca -0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1jjk h LYS 160 Cb 1.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1jjk h LYS 160 CO 0.21 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1jjk n GLY 162 N 0.02 0.77 3.79 0.00 0.00 0.44 -4.73 105.19 105.48 1jjk n GLY 162 Ca 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1jjk n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jjk s LEU 163 N 0.00 3.19 0.15 0.99 2.01 -1.12 -4.98 118.68 118.92 1jjk s LEU 163 Ca 0.00 1.81 -0.03 0.00 0.01 0.00 0.00 54.13 55.91 1jjk s LEU 163 Cb 0.00 -4.52 -0.02 0.00 0.01 0.00 0.00 46.19 41.66 1jjk s LEU 163 CO 0.00 -1.70 1.37 0.44 1.01 0.00 0.00 176.35 177.47 1jjk h ASP 164 N -0.60 0.52 -1.04 2.29 3.45 -1.58 -3.45 116.42 116.02 1jjk h ASP 164 Ca -0.45 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 56.64 1jjk h ASP 164 Cb 1.23 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 1jjk h ASP 164 CO 0.54 1.14 0.00 0.61 -1.57 0.00 0.00 179.24 179.96 1jjk n GLY 165 N 0.72 2.37 3.15 2.75 0.00 -1.17 -2.26 105.19 110.76 1jjk n GLY 165 Ca -0.05 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1jjk n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjk s VAL 166 N -2.85 0.12 -0.11 1.61 0.11 -0.67 -2.76 120.40 115.84 1jjk s VAL 166 Ca 0.00 -1.86 0.03 0.00 -2.93 0.00 0.00 61.98 57.22 1jjk s VAL 166 Cb 0.00 -1.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1jjk s VAL 166 CO 0.00 -0.54 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.32 1jjk s VAL 167 N -4.02 2.23 0.35 2.04 1.01 0.79 -2.34 120.40 120.46 1jjk s VAL 167 Ca 0.21 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1jjk s VAL 167 Cb 0.07 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1jjk s VAL 167 CO -0.00 0.55 0.66 0.00 0.00 0.00 0.00 175.10 176.31 1jjk s SER 169 N -2.90 6.62 0.04 0.00 0.15 -1.26 -3.72 113.70 112.63 1jjk s SER 169 Ca 0.17 1.75 0.11 0.00 0.70 0.00 0.00 55.95 58.68 1jjk s SER 169 Cb -0.04 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.23 1jjk s SER 169 CO 0.12 -0.59 1.36 0.00 1.20 0.00 0.00 173.24 175.33 1jjk n ALA 170 N -1.01 1.43 1.31 5.45 0.00 -1.26 -2.25 120.51 124.18 1jjk n ALA 170 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jjk n ALA 170 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1jjk n ALA 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jjk n GLN 171 N -1.61 1.00 0.00 0.00 6.02 -1.26 -2.55 117.38 118.98 1jjk n GLN 171 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1jjk n GLN 171 Cb 0.12 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1jjk n GLN 171 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1jjk n GLU 172 N -0.16 0.48 0.00 -1.09 4.71 -0.96 -4.83 120.64 118.79 1jjk n GLU 172 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1jjk n GLU 172 Cb 0.17 -0.06 0.00 0.00 -1.01 0.00 0.00 31.44 30.55 1jjk n GLU 172 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jjk n ALA 173 N -0.07 1.12 -0.10 0.62 0.00 -1.06 -1.11 120.51 119.91 1jjk n ALA 173 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1jjk n ALA 173 Cb 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1jjk n ALA 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jjk n VAL 174 N -1.29 1.43 -0.00 0.00 0.31 -1.26 -3.05 118.33 114.48 1jjk n VAL 174 Ca 0.00 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 1jjk n VAL 174 Cb 0.02 -2.07 0.50 0.00 -0.91 0.00 0.00 33.84 31.38 1jjk n VAL 174 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1jjk h ARG 175 N -0.91 0.38 0.12 5.55 2.43 -1.85 0.24 114.38 120.35 1jjk h ARG 175 Ca -0.31 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1jjk h ARG 175 Cb 1.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1jjk h ARG 175 CO -0.19 0.25 -0.06 0.74 -1.51 0.00 0.00 179.97 179.21 1jjk h PHE 176 N 0.39 -0.15 -1.43 2.20 0.05 -1.33 -0.73 116.94 115.94 1jjk h PHE 176 Ca 0.19 -0.00 0.42 0.00 3.82 0.00 0.00 57.97 62.39 1jjk h PHE 176 Cb 0.27 0.05 -0.06 0.00 2.00 0.00 0.00 35.95 38.21 1jjk h PHE 176 CO -0.00 -0.09 1.10 -0.22 -0.18 0.00 0.00 178.31 178.91 1jjk h LYS 177 N -0.52 0.00 0.01 1.51 1.63 -1.46 0.92 116.57 118.66 1jjk h LYS 177 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1jjk h LYS 177 Cb 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1jjk h LYS 177 CO 0.03 0.00 -0.00 0.37 -3.45 0.00 0.00 179.45 176.39 1jjk h GLN 178 N 0.00 -0.01 0.00 1.90 5.75 -0.96 -0.97 115.11 120.82 1jjk h GLN 178 Ca 0.68 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.18 1jjk h GLN 178 Cb 2.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.42 1jjk h GLN 178 CO -0.01 -0.01 0.00 0.28 -2.65 0.00 0.00 178.83 176.45 1jjk h VAL 179 N -0.02 0.00 0.00 2.39 2.07 0.10 -3.18 116.25 117.61 1jjk h VAL 179 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jjk h VAL 179 Cb 0.01 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1jjk h VAL 179 CO 0.00 0.00 -0.12 0.49 0.02 0.00 0.00 177.57 177.96 1jjk n PHE 180 N -2.32 0.00 0.00 1.57 3.72 0.29 -5.06 117.46 115.66 1jjk n PHE 180 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jjk n PHE 180 Cb 0.13 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1jjk n PHE 180 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jjk n GLY 181 N 1.13 -1.87 0.02 1.37 0.00 -0.37 -3.91 105.19 101.56 1jjk n GLY 181 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 46.02 44.52 1jjk n GLY 181 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jjk n GLN 182 N -1.54 0.02 0.06 1.61 1.13 -1.26 -2.47 117.38 114.93 1jjk n GLN 182 Ca 0.00 0.49 -0.09 0.00 -1.94 0.00 0.00 57.00 55.46 1jjk n GLN 182 Cb 0.00 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 28.72 1jjk n GLN 182 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1jjk h GLU 183 N 0.00 -0.23 -5.65 -1.09 4.39 -1.93 -3.41 114.58 106.65 1jjk h GLU 183 Ca 0.00 0.02 -0.42 0.00 0.34 0.00 0.00 59.36 59.29 1jjk h GLU 183 Cb 0.03 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jjk h GLU 183 CO 0.00 0.15 1.42 0.12 -1.16 0.00 0.00 179.01 179.54 1jjk s PHE 184 N -3.14 1.19 0.45 4.33 5.99 -1.03 -4.91 117.98 120.86 1jjk s PHE 184 Ca -0.11 1.47 -0.25 0.00 0.00 0.00 0.00 56.93 58.04 1jjk s PHE 184 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 43.02 39.28 1jjk s PHE 184 CO 0.40 -2.39 1.41 0.15 -0.00 0.00 0.00 175.22 174.79 1jjk s LYS 185 N 8.11 3.69 -0.07 10.12 1.02 -0.96 -4.87 119.74 136.79 1jjk s LYS 185 Ca 0.92 2.38 0.05 0.00 0.02 0.00 0.00 55.97 59.33 1jjk s LYS 185 Cb -0.16 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1jjk s LYS 185 CO 0.23 -0.80 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.14 1jjk s LEU 186 N -2.72 1.99 -0.17 3.17 1.43 -1.26 -1.68 118.68 119.44 1jjk s LEU 186 Ca 0.61 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1jjk s LEU 186 Cb -0.43 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1jjk s LEU 186 CO 0.55 0.18 -0.16 -0.69 0.23 0.00 0.00 176.35 176.45 1jjk s VAL 187 N 0.12 1.80 -0.18 -1.59 1.01 -0.99 -1.18 120.40 119.39 1jjk s VAL 187 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1jjk s VAL 187 Cb -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1jjk s VAL 187 CO 0.05 0.46 -0.15 0.42 0.00 0.00 0.00 175.10 175.88 1jjk s THR 188 N 1.39 2.59 0.00 3.92 -4.23 -0.13 -2.29 115.64 116.89 1jjk s THR 188 Ca 0.04 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1jjk s THR 188 Cb -0.13 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1jjk s THR 188 CO -0.11 0.50 0.00 -2.65 -0.54 0.00 0.00 174.62 171.82 1jjk n PRO 189 N 4.46 1.48 -3.02 3.99 -0.02 -1.24 -0.18 135.00 140.48 1jjk n PRO 189 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.16 1jjk n PRO 189 Cb 0.51 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.05 1jjk n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jjk n GLY 190 N 5.00 -0.22 3.16 -1.23 0.00 -1.25 -4.47 105.19 106.18 1jjk n GLY 190 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jjk n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jjk s ILE 191 N -3.27 3.62 -0.29 -0.61 -1.09 -1.26 -4.27 121.20 114.03 1jjk s ILE 191 Ca 0.05 -1.93 -0.06 0.00 -2.23 0.00 0.00 60.65 56.48 1jjk s ILE 191 Cb -0.01 -3.42 0.01 0.00 -1.58 0.00 0.00 42.46 37.46 1jjk s ILE 191 CO 0.54 -0.70 0.06 -0.13 -1.23 0.00 0.00 174.94 173.48 1jjk s ARG 192 N 1.23 3.01 -0.81 2.79 1.81 -1.26 -4.77 118.95 120.94 1jjk s ARG 192 Ca 0.07 -0.91 -0.24 0.00 -1.72 0.00 0.00 55.73 52.93 1jjk s ARG 192 Cb -0.24 -3.32 0.06 0.00 -0.45 0.00 0.00 34.95 31.00 1jjk s ARG 192 CO -0.03 -0.46 1.22 -1.25 -0.68 0.00 0.00 175.30 174.10 1jjk s PRO 193 N 1.46 3.31 0.00 3.54 0.04 -1.26 -3.78 135.00 138.32 1jjk s PRO 193 Ca 0.02 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.26 1jjk s PRO 193 Cb -0.17 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1jjk s PRO 193 CO 0.01 -2.03 0.00 0.00 0.04 0.00 0.00 177.00 175.02 1jjk n GLN 194 N 8.47 0.00 -3.22 4.56 10.64 -1.26 -3.95 117.38 132.63 1jjk n GLN 194 Ca 0.11 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.10 1jjk n GLN 194 Cb 0.49 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.92 1jjk n GLN 194 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jjk n GLY 195 N 0.01 -0.22 3.10 2.61 0.00 -1.26 -5.00 105.19 104.42 1jjk n GLY 195 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1jjk n GLY 195 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jjk s SER 196 N -3.12 2.28 0.17 1.61 0.15 -1.25 -5.10 113.70 108.43 1jjk s SER 196 Ca 0.40 -0.40 -0.34 0.00 0.70 0.00 0.00 55.95 56.31 1jjk s SER 196 Cb -0.18 -1.05 -0.14 0.00 -1.71 0.00 0.00 66.02 62.95 1jjk s SER 196 CO 0.49 0.08 1.58 1.21 1.20 0.00 0.00 173.24 177.80 1jjk n GLU 197 N 3.73 2.19 -0.06 5.44 4.07 -1.26 -4.89 120.64 129.86 1jjk n GLU 197 Ca -0.21 0.79 -0.05 0.00 -0.06 0.00 0.00 57.16 57.62 1jjk n GLU 197 Cb 0.52 -2.56 -0.04 0.00 -0.06 0.00 0.00 31.44 29.30 1jjk n GLU 197 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jjk h ALA 198 N 5.95 0.02 0.00 4.31 0.00 -1.99 -3.48 119.26 124.07 1jjk h ALA 198 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1jjk h ALA 198 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jjk h ALA 198 CO 0.89 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1jjk n GLY 199 N 1.69 0.38 0.00 0.00 0.00 -1.26 -3.18 105.19 102.82 1jjk n GLY 199 Ca -0.06 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1jjk n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jjk n ASP 200 N 5.13 0.00 -4.76 1.61 5.75 -1.26 -4.80 116.55 118.22 1jjk n ASP 200 Ca 0.00 0.37 -0.36 0.00 -0.01 0.00 0.00 54.79 54.79 1jjk n ASP 200 Cb 0.00 -0.45 0.02 0.00 -1.03 0.00 0.00 41.12 39.66 1jjk n ASP 200 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1jjk s GLN 201 N -2.90 3.21 0.00 0.11 2.00 -1.19 -4.54 119.66 116.35 1jjk s GLN 201 Ca 0.13 1.76 0.00 0.00 -2.00 0.00 0.00 55.36 55.24 1jjk s GLN 201 Cb 0.14 -2.02 0.00 0.00 0.80 0.00 0.00 33.01 31.93 1jjk s GLN 201 CO 0.37 -1.00 0.00 0.54 -0.50 0.00 0.00 175.29 174.70 1jjk n ARG 202 N -1.34 0.00 -1.13 1.67 5.12 -1.08 -4.93 116.66 114.97 1jjk n ARG 202 Ca 0.12 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.68 1jjk n ARG 202 Cb 0.50 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.70 1jjk n ARG 202 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1jjk n ARG 203 N -1.38 0.66 -1.68 5.56 1.74 -0.99 -5.05 116.66 115.52 1jjk n ARG 203 Ca 0.00 -1.59 -0.16 0.00 -0.77 0.00 0.00 57.85 55.33 1jjk n ARG 203 Cb 0.00 -3.09 0.09 0.00 -1.02 0.00 0.00 32.46 28.44 1jjk n ARG 203 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1jjk n ILE 204 N 7.29 0.00 -4.28 0.55 5.41 -1.26 -4.52 119.36 122.55 1jjk n ILE 204 Ca 0.46 -0.90 -0.23 0.00 1.00 0.00 0.00 62.75 63.08 1jjk n ILE 204 Cb 0.43 -1.24 -0.07 0.00 -0.71 0.00 0.00 39.64 38.05 1jjk n ILE 204 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1jjk s THR 206 N -2.18 3.49 0.26 1.39 -4.23 -1.25 -4.76 115.64 108.35 1jjk s THR 206 Ca 0.44 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1jjk s THR 206 Cb -0.02 -2.88 0.35 0.00 1.34 0.00 0.00 72.50 71.29 1jjk s THR 206 CO 0.30 -0.37 1.60 -0.65 -0.54 0.00 0.00 174.62 174.96 1jjk h PRO 207 N 1.85 0.02 0.00 3.99 0.11 -1.90 0.16 132.00 136.23 1jjk h PRO 207 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jjk h PRO 207 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jjk h PRO 207 CO 0.61 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 1jjk n GLU 208 N -5.50 0.00 0.19 1.05 -0.58 -1.26 -0.97 120.64 113.56 1jjk n GLU 208 Ca 0.14 0.27 0.16 0.00 -0.42 0.00 0.00 57.16 57.31 1jjk n GLU 208 Cb 0.47 -1.11 0.60 0.00 -0.57 0.00 0.00 31.44 30.83 1jjk n GLU 208 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1jjk h GLN 209 N 0.00 0.00 0.38 3.49 3.07 -1.92 0.10 115.11 120.23 1jjk h GLN 209 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1jjk h GLN 209 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1jjk h GLN 209 CO 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 178.83 178.74 1jjk h ALA 210 N 1.03 -0.51 -0.30 0.06 0.00 -0.21 -2.75 119.26 116.57 1jjk h ALA 210 Ca 0.13 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1jjk h ALA 210 Cb 1.35 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1jjk h ALA 210 CO -0.00 -0.51 0.44 1.25 0.00 0.00 0.00 179.25 180.43 1jjk h LEU 211 N -1.05 0.00 0.24 0.00 5.85 0.98 -1.54 115.31 119.80 1jjk h LEU 211 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1jjk h LEU 211 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1jjk h LEU 211 CO 0.08 0.00 -0.11 0.28 -0.34 0.00 0.00 178.44 178.35 1jjk h SER 212 N 0.00 -0.27 -0.04 1.25 0.02 -1.07 -3.14 113.55 110.30 1jjk h SER 212 Ca 0.14 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1jjk h SER 212 Cb 1.03 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1jjk h SER 212 CO -0.00 0.09 0.10 0.00 -1.14 0.00 0.00 176.83 175.88 1jjk h ALA 213 N -0.03 1.34 0.00 3.77 0.00 -1.00 -3.45 119.26 119.89 1jjk h ALA 213 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jjk h ALA 213 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jjk h ALA 213 CO 0.05 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1jjk n GLY 214 N -1.22 1.24 3.65 0.00 0.00 -1.19 -4.11 105.19 103.56 1jjk n GLY 214 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1jjk n GLY 214 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jjk n VAL 215 N -1.07 1.41 -0.00 1.61 0.24 -1.25 -4.91 118.33 114.37 1jjk n VAL 215 Ca 0.00 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 1jjk n VAL 215 Cb 0.00 -1.33 -0.09 0.00 -1.47 0.00 0.00 33.84 30.94 1jjk n VAL 215 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1jjk h ASP 216 N 3.26 0.72 -1.08 -1.34 3.32 -1.54 -3.46 116.42 116.31 1jjk h ASP 216 Ca -0.44 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 55.91 1jjk h ASP 216 Cb 1.30 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1jjk h ASP 216 CO 0.69 1.31 0.00 -1.22 -1.72 0.00 0.00 179.24 178.30 1jjk n TYR 217 N -4.09 -0.10 -3.48 4.55 4.02 -0.81 -4.67 117.16 112.57 1jjk n TYR 217 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.67 1jjk n TYR 217 Cb 0.71 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.93 1jjk n TYR 217 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1jjk s VAL 219 N -1.82 -0.50 -0.25 -0.72 1.01 0.75 -0.95 120.40 117.92 1jjk s VAL 219 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1jjk s VAL 219 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1jjk s VAL 219 CO 0.00 -0.08 0.08 -0.63 0.00 0.00 0.00 175.10 174.47 1jjk s ILE 220 N 2.47 4.38 0.00 2.22 1.09 -0.75 -3.97 121.20 126.64 1jjk s ILE 220 Ca 0.07 -0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 1jjk s ILE 220 Cb -0.14 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1jjk s ILE 220 CO -0.13 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.66 1jjk n GLY 221 N 4.90 0.25 0.24 6.18 0.00 -1.26 -1.44 105.19 114.07 1jjk n GLY 221 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1jjk n GLY 221 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jjk h ARG 222 N 0.00 0.80 -0.97 1.61 3.08 -1.95 -2.52 114.38 114.43 1jjk h ARG 222 Ca 0.00 -0.12 0.39 0.00 0.07 0.00 0.00 59.98 60.32 1jjk h ARG 222 Cb 0.00 -0.14 -0.18 0.00 0.08 0.00 0.00 29.97 29.73 1jjk h ARG 222 CO 0.00 0.65 0.45 -2.30 -1.07 0.00 0.00 179.97 177.70 1jjk n PRO 223 N -4.56 -0.06 0.01 0.04 -0.02 -1.26 0.20 135.00 129.34 1jjk n PRO 223 Ca 0.03 1.35 -0.17 0.00 -2.02 0.00 0.00 63.50 62.70 1jjk n PRO 223 Cb 0.12 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 1jjk n PRO 223 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jjk h VAL 224 N 0.00 0.77 0.00 -1.45 2.07 -1.84 -3.38 116.25 112.42 1jjk h VAL 224 Ca 0.79 -2.52 -0.13 0.00 0.82 0.00 0.00 66.70 65.66 1jjk h VAL 224 Cb 2.03 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 34.30 1jjk h VAL 224 CO -0.77 0.76 -1.17 0.71 0.02 0.00 0.00 177.57 177.11 1jjk h THR 225 N 0.05 0.49 -0.93 2.57 1.35 -0.08 -3.36 112.91 113.00 1jjk h THR 225 Ca -0.35 -1.89 -0.64 0.00 -0.55 0.00 0.00 66.41 62.98 1jjk h THR 225 Cb 2.03 2.03 -0.33 0.00 -1.73 0.00 0.00 68.15 70.15 1jjk h THR 225 CO 0.10 0.28 0.40 0.00 -0.25 0.00 0.00 175.52 176.05 1jjk n GLN 226 N -2.93 2.93 -4.00 4.72 6.02 0.53 -4.90 117.38 119.76 1jjk n GLN 226 Ca -0.06 -3.53 -0.18 0.00 -0.01 0.00 0.00 57.00 53.22 1jjk n GLN 226 Cb 0.78 -2.28 -0.16 0.00 1.02 0.00 0.00 30.24 29.59 1jjk n GLN 226 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jjk s SER 227 N -2.32 0.60 0.40 1.08 1.04 -1.26 -4.90 113.70 108.35 1jjk s SER 227 Ca 0.61 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.74 1jjk s SER 227 Cb 0.48 -0.30 -0.12 0.00 0.10 0.00 0.00 66.02 66.18 1jjk s SER 227 CO 0.01 -0.09 0.71 0.55 0.98 0.00 0.00 173.24 175.40 1jjk n VAL 228 N 4.12 2.02 -3.54 5.02 3.14 -1.26 -2.61 118.33 125.22 1jjk n VAL 228 Ca -0.26 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.28 1jjk n VAL 228 Cb 0.50 -0.73 0.03 0.00 -1.06 0.00 0.00 33.84 32.59 1jjk n VAL 228 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1jjk n ASP 229 N 1.06 -5.50 -0.10 6.55 4.64 -1.26 -4.81 116.55 117.13 1jjk n ASP 229 Ca 0.11 -0.30 -0.13 0.00 -1.38 0.00 0.00 54.79 53.09 1jjk n ASP 229 Cb 0.38 -1.87 -0.04 0.00 -1.04 0.00 0.00 41.12 38.56 1jjk n ASP 229 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jjk h PRO 230 N 1.57 0.74 -0.94 -0.67 0.13 -1.69 -3.08 132.00 128.05 1jjk h PRO 230 Ca -0.55 -0.38 0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1jjk h PRO 230 Cb 1.39 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 1jjk h PRO 230 CO 0.26 1.00 0.40 0.00 -0.23 0.00 0.00 178.00 179.43 1jjk h ALA 231 N 0.73 1.61 0.72 -0.56 0.00 -1.90 0.25 119.26 120.11 1jjk h ALA 231 Ca 0.05 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1jjk h ALA 231 Cb 0.85 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jjk h ALA 231 CO 0.07 -0.50 -0.34 0.37 0.00 0.00 0.00 179.25 178.84 1jjk h GLN 232 N 0.28 -0.93 -0.66 0.00 5.75 -1.89 -2.72 115.11 114.95 1jjk h GLN 232 Ca 0.64 0.06 0.19 0.00 -0.15 0.00 0.00 58.65 59.39 1jjk h GLN 232 Cb 1.37 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 30.11 1jjk h GLN 232 CO -0.63 -0.60 0.55 1.15 -2.65 0.00 0.00 178.83 176.65 1jjk h THR 233 N -1.04 0.48 0.35 2.39 2.02 -0.53 0.37 112.91 116.95 1jjk h THR 233 Ca -0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1jjk h THR 233 Cb 0.76 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1jjk h THR 233 CO 0.16 0.00 -0.17 0.25 0.37 0.00 0.00 175.52 176.13 1jjk h LEU 234 N 0.00 -0.40 -0.99 2.58 7.12 -0.81 -0.95 115.31 121.86 1jjk h LEU 234 Ca 0.31 -0.13 0.21 0.00 0.13 0.00 0.00 57.88 58.40 1jjk h LEU 234 Cb 1.41 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 41.53 1jjk h LEU 234 CO -0.00 0.05 0.59 0.50 -0.13 0.00 0.00 178.44 179.45 1jjk h LYS 235 N -0.99 0.66 0.00 1.25 3.64 -0.91 0.16 116.57 120.37 1jjk h LYS 235 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jjk h LYS 235 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1jjk h LYS 235 CO 0.08 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 1jjk n ALA 236 N -2.33 -0.37 -0.40 5.00 0.00 -0.01 -1.81 120.51 120.59 1jjk n ALA 236 Ca 0.24 0.00 0.39 0.00 0.00 0.00 0.00 53.44 54.07 1jjk n ALA 236 Cb 0.63 0.08 0.76 0.00 0.00 0.00 0.00 19.45 20.91 1jjk n ALA 236 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1jjk h ILE 237 N 0.00 0.32 0.29 0.00 2.04 -0.36 0.10 117.51 119.90 1jjk h ILE 237 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1jjk h ILE 237 Cb 0.00 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1jjk h ILE 237 CO 0.00 0.00 -0.14 0.78 0.00 0.00 0.00 178.15 178.79 1jjk h ASN 238 N 0.02 -0.33 -0.69 1.72 2.35 -0.76 -2.52 115.58 115.37 1jjk h ASN 238 Ca 0.65 0.01 0.15 0.00 -0.55 0.00 0.00 56.30 56.56 1jjk h ASN 238 Cb 2.56 0.09 -0.13 0.00 0.05 0.00 0.00 38.32 40.89 1jjk h ASN 238 CO -0.03 -0.17 -0.09 0.00 -1.65 0.00 0.00 177.43 175.49 1jjk h ALA 239 N -1.69 0.58 -1.31 -0.83 0.00 -0.42 1.02 119.26 116.61 1jjk h ALA 239 Ca -0.04 0.25 0.40 0.00 0.00 0.00 0.00 54.91 55.52 1jjk h ALA 239 Cb 0.30 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1jjk h ALA 239 CO 0.07 -0.42 0.87 0.77 0.00 0.00 0.00 179.25 180.54 1jjk h SER 240 N 0.05 0.23 -1.52 0.00 0.02 -0.83 0.85 113.55 112.35 1jjk h SER 240 Ca 0.35 0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 60.75 1jjk h SER 240 Cb 0.57 0.07 -0.23 0.00 0.14 0.00 0.00 62.40 62.96 1jjk h SER 240 CO -0.66 -0.08 0.76 0.18 -1.14 0.00 0.00 176.83 175.89 1jjk n LEU 241 N -4.53 7.06 0.00 5.07 4.77 0.35 -4.88 117.00 124.85 1jjk n LEU 241 Ca 0.34 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 1jjk n LEU 241 Cb 1.35 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1jjk n LEU 241 CO 0.27 1.72 0.00 0.00 -1.33 0.00 0.00 177.39 178.05