#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjk s GLY 3 N 0.00 1.64 0.33 0.46 0.00 -1.26 -5.05 107.32 103.45 1pjk s GLY 3 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.13 1pjk s GLY 3 CO 0.00 -1.27 1.08 -1.05 0.00 0.00 0.00 173.10 171.87 1pjk n PRO 4 N 1.04 1.56 -2.09 2.90 -0.02 -1.25 -4.84 135.00 132.30 1pjk n PRO 4 Ca -0.16 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 1pjk n PRO 4 Cb 0.53 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1pjk n PRO 4 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pjk s VAL 5 N -1.12 2.69 0.94 -1.45 1.01 -0.32 -4.98 120.40 117.17 1pjk s VAL 5 Ca 0.59 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1pjk s VAL 5 Cb -0.63 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 32.57 1pjk s VAL 5 CO 0.60 0.08 1.29 -2.84 0.00 0.00 0.00 175.10 174.23 1pjk s PRO 6 N -2.25 0.85 -0.11 2.72 0.02 -1.26 -4.91 135.00 130.06 1pjk s PRO 6 Ca 0.57 -0.28 -0.21 0.00 0.02 0.00 0.00 61.00 61.10 1pjk s PRO 6 Cb -0.37 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.34 1pjk s PRO 6 CO 0.47 -2.29 0.51 0.45 -0.33 0.00 0.00 177.00 175.81 1pjk s SER 7 N -4.78 -0.49 0.21 2.53 0.15 -1.26 -5.08 113.70 104.98 1pjk s SER 7 Ca 0.71 0.72 0.11 0.00 0.70 0.00 0.00 55.95 58.19 1pjk s SER 7 Cb -0.06 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1pjk s SER 7 CO 0.52 -0.36 -0.18 -0.13 1.20 0.00 0.00 173.24 174.29 1pjk s ARG 8 N -0.51 1.75 0.34 5.44 1.81 -1.26 -4.45 118.95 122.07 1pjk s ARG 8 Ca -0.06 -1.49 -0.29 0.00 -1.72 0.00 0.00 55.73 52.17 1pjk s ARG 8 Cb -0.03 -1.94 -0.10 0.00 -0.45 0.00 0.00 34.95 32.43 1pjk s ARG 8 CO 0.04 0.39 1.34 0.00 -0.68 0.00 0.00 175.30 176.39 1pjk s ALA 9 N -1.88 3.51 -0.06 2.13 0.00 -1.26 -4.92 121.76 119.28 1pjk s ALA 9 Ca 0.24 1.32 0.30 0.00 0.00 0.00 0.00 51.96 53.82 1pjk s ALA 9 Cb -0.08 -3.50 1.02 0.00 0.00 0.00 0.00 23.12 20.57 1pjk s ALA 9 CO 0.13 -0.72 1.86 0.00 0.00 0.00 0.00 175.76 177.03 1pjk h ARG 10 N 3.30 0.00 -4.73 0.00 3.08 -1.97 -3.42 114.38 110.64 1pjk h ARG 10 Ca -0.49 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.27 1pjk h ARG 10 Cb 1.23 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.09 1pjk h ARG 10 CO 0.65 0.02 -0.73 0.14 -1.07 0.00 0.00 179.97 178.98 1pjk s VAL 11 N -3.53 0.70 -1.44 2.04 -7.23 -1.26 -4.87 120.40 104.82 1pjk s VAL 11 Ca 0.03 -1.41 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1pjk s VAL 11 Cb 0.08 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 36.01 1pjk s VAL 11 CO 0.59 -0.52 0.59 -1.22 -0.31 0.00 0.00 175.10 174.23 1pjk n TYR 12 N 0.92 -1.94 -0.14 2.82 4.01 -1.26 -4.88 117.16 116.69 1pjk n TYR 12 Ca -0.19 0.53 -0.11 0.00 -0.16 0.00 0.00 57.90 57.97 1pjk n TYR 12 Cb 0.57 -3.90 -0.01 0.00 -0.31 0.00 0.00 39.34 35.69 1pjk n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1pjk h THR 13 N -1.28 1.27 -0.39 -0.72 2.02 -1.89 -3.27 112.91 108.64 1pjk h THR 13 Ca -0.49 -1.19 -0.23 0.00 0.77 0.00 0.00 66.41 65.27 1pjk h THR 13 Cb 1.34 1.20 -0.14 0.00 -1.74 0.00 0.00 68.15 68.81 1pjk h THR 13 CO 0.56 0.40 -0.17 0.47 0.37 0.00 0.00 175.52 177.15 1pjk n ASP 14 N -4.33 2.89 0.25 4.18 8.00 -1.26 -4.35 116.55 121.94 1pjk n ASP 14 Ca -0.01 -3.81 -0.16 0.00 0.71 0.00 0.00 54.79 51.52 1pjk n ASP 14 Cb 0.36 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1pjk n ASP 14 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1pjk h VAL 15 N 1.13 0.57 0.00 2.53 2.07 -1.91 -2.95 116.25 117.69 1pjk h VAL 15 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1pjk h VAL 15 Cb 1.54 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1pjk h VAL 15 CO 0.45 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.63 1pjk n ASN 16 N -5.34 0.00 0.06 0.57 3.02 -1.26 -2.28 115.26 110.03 1pjk n ASN 16 Ca -0.11 -0.25 -0.03 0.00 -0.03 0.00 0.00 54.58 54.16 1pjk n ASN 16 Cb 0.25 -0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1pjk n ASN 16 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1pjk h THR 17 N 0.00 1.06 -0.12 3.41 2.02 -1.85 -3.35 112.91 114.08 1pjk h THR 17 Ca 0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1pjk h THR 17 Cb 0.20 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1pjk h THR 17 CO 0.00 0.60 0.00 1.41 0.37 0.00 0.00 175.52 177.90 1pjk n HIS 18 N -3.16 0.15 -2.53 3.16 8.25 -1.13 -4.95 115.22 115.00 1pjk n HIS 18 Ca -0.05 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.01 1pjk n HIS 18 Cb 0.89 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 32.01 1pjk n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1pjk s ARG 19 N -1.08 3.17 0.98 -0.41 0.52 -0.97 -5.08 118.95 116.08 1pjk s ARG 19 Ca 0.19 0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 1pjk s ARG 19 Cb 0.12 -2.34 0.18 0.00 0.52 0.00 0.00 34.95 33.43 1pjk s ARG 19 CO 0.17 -0.48 1.08 -2.14 0.02 0.00 0.00 175.30 173.96 1pjk s PRO 20 N -4.86 0.53 0.20 3.54 0.02 -1.26 -4.94 135.00 128.24 1pjk s PRO 20 Ca 0.51 0.81 -0.08 0.00 0.02 0.00 0.00 61.00 62.26 1pjk s PRO 20 Cb -0.10 -1.73 0.14 0.00 0.02 0.00 0.00 34.50 32.83 1pjk s PRO 20 CO 0.44 -2.74 1.75 -0.09 -0.33 0.00 0.00 177.00 176.04 1pjk h ARG 21 N -1.91 1.15 0.00 5.54 9.65 -1.98 -2.90 114.38 123.93 1pjk h ARG 21 Ca -0.53 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.12 1pjk h ARG 21 Cb 1.30 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1pjk h ARG 21 CO 0.53 0.96 0.00 1.05 2.80 0.00 0.00 179.97 185.31 1pjk h GLU 22 N 1.11 0.00 0.15 0.20 4.11 -1.92 -0.49 114.58 117.74 1pjk h GLU 22 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1pjk h GLU 22 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pjk h GLU 22 CO -0.01 0.00 -0.07 -0.92 0.07 0.00 0.00 179.01 178.07 1pjk h TYR 23 N 0.00 -0.19 0.00 2.06 3.20 -1.88 -3.40 116.97 116.77 1pjk h TYR 23 Ca 0.00 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 1pjk h TYR 23 Cb 0.25 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1pjk h TYR 23 CO 0.00 0.13 -2.15 -2.67 -1.64 0.00 0.00 178.16 171.82 1pjk n TRP 24 N -5.04 0.00 -2.40 -3.82 4.27 -1.00 -4.77 117.44 104.68 1pjk n TRP 24 Ca -0.09 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.15 1pjk n TRP 24 Cb 0.21 -0.77 -0.03 0.00 -1.36 0.00 0.00 31.31 29.37 1pjk n TRP 24 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1pjk s ASP 25 N -4.96 6.15 0.20 -0.67 2.15 -0.23 -4.78 116.67 114.53 1pjk s ASP 25 Ca -0.08 -1.78 0.22 0.00 0.43 0.00 0.00 52.55 51.33 1pjk s ASP 25 Cb 0.08 -2.58 0.90 0.00 -0.30 0.00 0.00 42.92 41.02 1pjk s ASP 25 CO 0.77 -1.86 1.68 0.00 -0.17 0.00 0.00 175.17 175.58 1pjk n TYR 26 N 10.50 0.64 -0.06 -5.34 4.11 -1.26 -2.98 117.16 122.77 1pjk n TYR 26 Ca 0.43 0.24 -0.12 0.00 -0.00 0.00 0.00 57.90 58.45 1pjk n TYR 26 Cb 0.48 -0.90 -0.06 0.00 -0.00 0.00 0.00 39.34 38.87 1pjk n TYR 26 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1pjk h GLU 27 N 0.00 0.32 -1.87 -3.48 5.08 -1.90 -3.28 114.58 109.45 1pjk h GLU 27 Ca 0.00 -0.11 -0.50 0.00 -1.00 0.00 0.00 59.36 57.76 1pjk h GLU 27 Cb 0.38 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.42 1pjk h GLU 27 CO 0.00 0.54 0.47 0.43 -1.00 0.00 0.00 179.01 179.45 1pjk n SER 28 N -4.71 6.61 -4.25 1.42 7.64 -1.16 -4.91 113.62 114.26 1pjk n SER 28 Ca -0.05 -3.25 -0.32 0.00 1.01 0.00 0.00 58.87 56.26 1pjk n SER 28 Cb 0.23 -1.18 -0.17 0.00 -1.01 0.00 0.00 64.21 62.09 1pjk n SER 28 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1pjk s HIS 29 N -2.00 2.54 -0.06 1.43 5.04 -1.24 -5.04 115.29 115.96 1pjk s HIS 29 Ca 0.54 -0.88 -0.15 0.00 -1.54 0.00 0.00 55.06 53.02 1pjk s HIS 29 Cb 0.37 -1.68 -0.05 0.00 0.04 0.00 0.00 32.58 31.26 1pjk s HIS 29 CO -0.19 -0.32 0.39 0.08 -2.34 0.00 0.00 174.74 172.37 1pjk s VAL 30 N 0.13 5.13 -0.22 0.89 1.01 -1.26 -5.07 120.40 121.01 1pjk s VAL 30 Ca -0.12 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1pjk s VAL 30 Cb -0.16 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1pjk s VAL 30 CO 0.07 0.49 0.44 -0.69 0.00 0.00 0.00 175.10 175.41 1pjk s VAL 31 N -0.45 5.15 -0.61 2.92 1.01 -1.26 -5.03 120.40 122.12 1pjk s VAL 31 Ca 0.23 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 62.77 1pjk s VAL 31 Cb -0.16 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.53 1pjk s VAL 31 CO 0.11 0.19 0.85 -0.70 0.00 0.00 0.00 175.10 175.54 1pjk s GLU 32 N 1.68 3.11 0.90 2.72 2.12 -1.26 -5.03 118.70 122.94 1pjk s GLU 32 Ca 0.20 -0.95 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 1pjk s GLU 32 Cb -0.15 -4.21 0.13 0.00 0.26 0.00 0.00 34.13 30.16 1pjk s GLU 32 CO 0.09 -1.65 1.09 -1.58 -0.54 0.00 0.00 175.26 172.68 1pjk s TRP 33 N 3.48 2.30 0.35 5.30 0.52 -1.26 -4.66 118.94 124.96 1pjk s TRP 33 Ca 0.19 1.26 0.03 0.00 0.02 0.00 0.00 56.10 57.60 1pjk s TRP 33 Cb -0.19 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 28.92 1pjk s TRP 33 CO 0.10 -2.42 0.09 0.20 0.02 0.00 0.00 176.95 174.94 1pjk s GLY 34 N -3.41 2.23 -0.21 0.98 0.00 -0.28 -4.96 107.32 101.68 1pjk s GLY 34 Ca 0.63 -1.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 1pjk s GLY 34 CO 0.57 -1.79 1.61 0.21 0.00 0.00 0.00 173.10 173.70 1pjk s ASN 35 N -3.51 6.41 0.50 1.64 2.47 -1.26 -4.64 114.94 116.55 1pjk s ASN 35 Ca 0.32 1.67 0.29 0.00 0.42 0.00 0.00 52.86 55.56 1pjk s ASN 35 Cb 0.06 -2.53 1.03 0.00 -1.45 0.00 0.00 41.25 38.36 1pjk s ASN 35 CO 0.15 -1.23 1.86 0.06 -3.72 0.00 0.00 177.10 174.22 1pjk h GLN 36 N 10.60 0.00 0.00 0.43 -0.00 -1.95 -3.00 115.11 121.19 1pjk h GLN 36 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1pjk h GLN 36 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 1pjk h GLN 36 CO 1.00 0.05 0.00 -0.44 -0.00 0.00 0.00 178.83 179.44 1pjk h ASP 37 N 0.00 0.00 0.59 0.06 3.32 -1.95 -2.67 116.42 115.77 1pjk h ASP 37 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pjk h ASP 37 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1pjk h ASP 37 CO 0.01 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 177.97 1pjk h ASP 38 N 0.00 0.00 -4.22 6.45 3.32 -1.93 -3.44 116.42 116.60 1pjk h ASP 38 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1pjk h ASP 38 Cb 0.51 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.79 1pjk h ASP 38 CO 0.00 0.00 -0.82 -0.31 -1.72 0.00 0.00 179.24 176.39 1pjk s TYR 39 N -3.77 2.55 -0.14 4.55 1.51 -1.01 0.24 117.35 121.28 1pjk s TYR 39 Ca -0.01 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1pjk s TYR 39 Cb 0.10 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1pjk s TYR 39 CO 0.46 0.06 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.75 1pjk s GLN 40 N -0.60 1.42 0.34 -0.62 0.74 -0.84 -4.97 119.66 115.12 1pjk s GLN 40 Ca 0.09 -0.37 -0.27 0.00 0.05 0.00 0.00 55.36 54.86 1pjk s GLN 40 Cb -0.11 -1.78 -0.09 0.00 1.10 0.00 0.00 33.01 32.13 1pjk s GLN 40 CO 0.00 -0.36 1.11 -0.51 -0.55 0.00 0.00 175.29 174.98 1pjk s LEU 41 N 1.69 4.37 -0.04 3.68 1.43 -1.26 -1.81 118.68 126.73 1pjk s LEU 41 Ca 0.03 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1pjk s LEU 41 Cb -0.14 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1pjk s LEU 41 CO -0.08 -0.35 -0.03 0.52 0.23 0.00 0.00 176.35 176.63 1pjk n VAL 42 N 0.61 0.22 -3.63 -1.59 0.31 -0.67 -4.94 118.33 108.63 1pjk n VAL 42 Ca 0.02 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.15 1pjk n VAL 42 Cb 0.46 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 32.62 1pjk n VAL 42 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1pjk s ARG 43 N -2.08 0.78 -0.09 5.55 3.52 -1.13 -5.02 118.95 120.48 1pjk s ARG 43 Ca -0.05 1.07 -0.29 0.00 -0.13 0.00 0.00 55.73 56.33 1pjk s ARG 43 Cb 0.01 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1pjk s ARG 43 CO 0.09 -0.12 0.99 0.21 -0.81 0.00 0.00 175.30 175.66 1pjk s LYS 44 N 0.85 4.44 -0.11 5.12 2.20 -1.26 -0.39 119.74 130.60 1pjk s LYS 44 Ca -0.04 1.38 0.15 0.00 -0.36 0.00 0.00 55.97 57.10 1pjk s LYS 44 Cb -0.05 -3.53 -0.24 0.00 -1.51 0.00 0.00 37.83 32.51 1pjk s LYS 44 CO -0.07 -0.26 0.41 1.28 -0.36 0.00 0.00 175.35 176.35 1pjk n LEU 45 N 4.80 0.49 0.00 5.43 4.77 0.37 -4.87 117.00 127.99 1pjk n LEU 45 Ca 0.08 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1pjk n LEU 45 Cb 0.49 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1pjk n LEU 45 CO 0.52 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1pjk n GLY 46 N 1.63 0.95 3.40 -0.72 0.00 -1.11 -5.02 105.19 104.32 1pjk n GLY 46 Ca -0.23 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1pjk n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pjk s ARG 47 N -2.00 3.34 0.54 1.61 1.70 -1.26 -1.39 118.95 121.49 1pjk s ARG 47 Ca 0.00 -0.67 0.04 0.00 -0.47 0.00 0.00 55.73 54.63 1pjk s ARG 47 Cb 0.00 -2.64 0.02 0.00 -0.57 0.00 0.00 34.95 31.76 1pjk s ARG 47 CO 0.00 0.26 0.28 0.20 -1.08 0.00 0.00 175.30 174.95 1pjk s GLY 48 N 0.24 2.60 0.32 3.88 0.00 0.47 -5.02 107.32 109.81 1pjk s GLY 48 Ca -0.08 -0.93 0.14 0.00 0.00 0.00 0.00 44.72 43.85 1pjk s GLY 48 CO 0.05 -2.03 1.69 1.70 0.00 0.00 0.00 173.10 174.51 1pjk h LYS 49 N 0.93 0.00 -0.03 2.90 3.64 -2.03 -3.34 116.57 118.64 1pjk h LYS 49 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1pjk h LYS 49 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1pjk h LYS 49 CO 0.62 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.96 1pjk n TYR 50 N -3.76 0.01 0.00 1.91 4.02 -1.26 -4.91 117.16 113.18 1pjk n TYR 50 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1pjk n TYR 50 Cb 0.54 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1pjk n TYR 50 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1pjk n SER 51 N 0.78 0.00 -4.86 7.72 3.41 -1.26 -2.05 113.62 117.37 1pjk n SER 51 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 1pjk n SER 51 Cb 0.35 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1pjk n SER 51 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pjk s GLU 52 N -2.00 3.12 -0.05 4.33 2.02 -0.36 -0.40 118.70 125.36 1pjk s GLU 52 Ca 0.00 -0.80 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 1pjk s GLU 52 Cb 0.00 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.50 1pjk s GLU 52 CO 0.00 0.48 -0.02 0.08 0.02 0.00 0.00 175.26 175.83 1pjk s VAL 53 N -1.82 0.40 -0.02 2.63 1.01 -0.48 -1.08 120.40 121.04 1pjk s VAL 53 Ca 0.33 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1pjk s VAL 53 Cb -0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1pjk s VAL 53 CO 0.26 0.23 -0.22 -0.36 0.00 0.00 0.00 175.10 175.00 1pjk s PHE 54 N 1.42 2.02 0.35 5.22 0.40 0.08 -0.48 117.98 126.99 1pjk s PHE 54 Ca -0.03 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.63 1pjk s PHE 54 Cb -0.13 -1.30 -0.09 0.00 0.51 0.00 0.00 43.02 42.00 1pjk s PHE 54 CO -0.03 -0.04 1.13 -2.00 0.70 0.00 0.00 175.22 174.98 1pjk s GLU 55 N -0.50 4.34 0.35 0.44 2.12 0.48 -0.31 118.70 125.61 1pjk s GLU 55 Ca 0.08 1.78 -0.12 0.00 0.36 0.00 0.00 54.97 57.08 1pjk s GLU 55 Cb -0.09 -2.88 0.03 0.00 0.26 0.00 0.00 34.13 31.45 1pjk s GLU 55 CO -0.01 -0.06 0.65 0.00 -0.54 0.00 0.00 175.26 175.31 1pjk s ALA 56 N -1.35 -0.25 -0.06 6.30 0.00 -0.43 -1.67 121.76 124.30 1pjk s ALA 56 Ca 0.52 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1pjk s ALA 56 Cb -0.30 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1pjk s ALA 56 CO 0.38 -0.92 -0.01 -1.50 0.00 0.00 0.00 175.76 173.72 1pjk s ILE 57 N -2.85 0.38 -0.27 0.00 1.10 -0.75 -1.26 121.20 117.55 1pjk s ILE 57 Ca 0.20 0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 60.12 1pjk s ILE 57 Cb -0.03 -0.50 -0.01 0.00 0.15 0.00 0.00 42.46 42.07 1pjk s ILE 57 CO 0.14 0.23 1.50 0.21 -2.11 0.00 0.00 174.94 174.91 1pjk s ASN 58 N 1.61 6.46 0.42 4.50 3.84 -0.40 -1.98 114.94 129.38 1pjk s ASN 58 Ca -0.01 1.41 0.26 0.00 0.21 0.00 0.00 52.86 54.73 1pjk s ASN 58 Cb -0.13 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.73 1pjk s ASN 58 CO -0.03 -1.23 1.73 -0.29 -2.79 0.00 0.00 177.10 174.49 1pjk h ILE 59 N 6.13 0.00 0.00 -5.21 6.09 -0.54 0.89 117.51 124.87 1pjk h ILE 59 Ca -0.31 -0.76 -0.09 0.00 -1.37 0.00 0.00 64.86 62.34 1pjk h ILE 59 Cb 1.13 1.74 -0.01 0.00 0.47 0.00 0.00 36.82 40.15 1pjk h ILE 59 CO 1.02 0.00 -0.41 0.74 -3.07 0.00 0.00 178.15 176.43 1pjk h THR 60 N 0.00 0.78 0.00 2.19 2.02 -1.91 -3.38 112.91 112.62 1pjk h THR 60 Ca 0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1pjk h THR 60 Cb 0.81 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1pjk h THR 60 CO 0.00 0.40 -0.25 -0.46 0.37 0.00 0.00 175.52 175.58 1pjk n ASN 61 N -3.32 0.00 -0.26 4.18 0.23 -1.21 -5.04 115.26 109.85 1pjk n ASN 61 Ca 0.01 -1.50 -0.03 0.00 -0.53 0.00 0.00 54.58 52.53 1pjk n ASN 61 Cb 0.62 -0.10 -0.01 0.00 -2.08 0.00 0.00 39.78 38.21 1pjk n ASN 61 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1pjk n ASN 62 N 0.00 -4.94 -4.76 0.53 4.05 0.30 -4.98 115.26 105.47 1pjk n ASN 62 Ca 0.00 0.07 -0.39 0.00 0.45 0.00 0.00 54.58 54.72 1pjk n ASN 62 Cb 0.60 -3.20 0.01 0.00 1.23 0.00 0.00 39.78 38.42 1pjk n ASN 62 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1pjk s GLU 63 N -1.98 3.64 0.53 1.20 2.56 -1.21 -4.77 118.70 118.66 1pjk s GLU 63 Ca 0.00 2.21 -0.17 0.00 0.00 0.00 0.00 54.97 57.01 1pjk s GLU 63 Cb 0.00 -2.55 -0.07 0.00 2.00 0.00 0.00 34.13 33.51 1pjk s GLU 63 CO 0.00 -0.78 1.00 0.15 -0.56 0.00 0.00 175.26 175.07 1pjk s LYS 64 N -2.53 3.83 0.18 4.30 1.02 -1.26 -1.28 119.74 123.99 1pjk s LYS 64 Ca 0.63 1.01 -0.21 0.00 0.02 0.00 0.00 55.97 57.42 1pjk s LYS 64 Cb -0.39 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1pjk s LYS 64 CO 0.49 -0.37 0.58 0.08 -0.92 0.00 0.00 175.35 175.21 1pjk s VAL 65 N -2.57 0.01 -0.06 3.17 1.01 -0.39 -4.13 120.40 117.44 1pjk s VAL 65 Ca 0.60 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1pjk s VAL 65 Cb -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1pjk s VAL 65 CO 0.32 -0.05 -0.18 -0.69 0.00 0.00 0.00 175.10 174.50 1pjk s VAL 66 N -3.80 1.52 -0.24 2.92 1.01 -0.80 -1.31 120.40 119.70 1pjk s VAL 66 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1pjk s VAL 66 Cb -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1pjk s VAL 66 CO -0.09 0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1pjk s VAL 67 N 0.21 2.41 -0.50 2.92 1.01 0.57 -0.44 120.40 126.57 1pjk s VAL 67 Ca -0.09 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 1pjk s VAL 67 Cb -0.14 -2.28 0.09 0.00 0.00 0.00 0.00 36.38 34.05 1pjk s VAL 67 CO 0.04 0.14 0.47 -0.75 0.00 0.00 0.00 175.10 175.00 1pjk s LYS 68 N 1.21 3.00 -0.29 2.72 2.20 -0.04 -0.74 119.74 127.81 1pjk s LYS 68 Ca -0.03 -1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 53.93 1pjk s LYS 68 Cb -0.18 -4.19 -0.01 0.00 -1.51 0.00 0.00 37.83 31.95 1pjk s LYS 68 CO -0.06 -1.17 0.74 0.42 -0.36 0.00 0.00 175.35 174.92 1pjk s ILE 69 N 1.78 4.85 0.01 5.43 1.01 -0.24 -0.46 121.20 133.59 1pjk s ILE 69 Ca 0.05 1.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 1pjk s ILE 69 Cb -0.26 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1pjk s ILE 69 CO 0.06 -0.16 0.65 -0.76 0.00 0.00 0.00 174.94 174.73 1pjk s LEU 70 N 2.81 4.43 0.52 2.97 1.43 -0.96 -1.22 118.68 128.66 1pjk s LEU 70 Ca 0.31 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.46 1pjk s LEU 70 Cb -0.15 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 1pjk s LEU 70 CO 0.11 0.08 1.10 -0.54 0.23 0.00 0.00 176.35 177.33 1pjk s LYS 71 N -0.17 3.51 -0.04 1.70 -0.14 -0.87 -4.63 119.74 119.10 1pjk s LYS 71 Ca 0.33 1.53 -0.30 0.00 -1.36 0.00 0.00 55.97 56.17 1pjk s LYS 71 Cb -0.19 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 1pjk s LYS 71 CO 0.19 -0.71 1.54 -1.25 -0.76 0.00 0.00 175.35 174.36 1pjk s PRO 72 N -3.26 4.22 0.13 -1.68 0.04 -1.26 -4.82 135.00 128.36 1pjk s PRO 72 Ca 0.71 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1pjk s PRO 72 Cb -0.21 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1pjk s PRO 72 CO 0.25 -0.75 0.00 0.28 0.04 0.00 0.00 177.00 176.82 1pjk n VAL 73 N 5.16 0.19 -3.66 -0.36 0.31 -1.26 -5.12 118.33 113.59 1pjk n VAL 73 Ca 0.16 0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 1pjk n VAL 73 Cb 0.43 -0.57 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 1pjk n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1pjk s LYS 74 N -1.52 0.42 0.58 5.55 -0.14 -1.26 -5.02 119.74 118.34 1pjk s LYS 74 Ca 0.00 1.07 0.28 0.00 -1.36 0.00 0.00 55.97 55.96 1pjk s LYS 74 Cb 0.00 0.32 1.54 0.00 -1.68 0.00 0.00 37.83 38.02 1pjk s LYS 74 CO 0.00 -0.21 2.02 -0.22 -0.76 0.00 0.00 175.35 176.18 1pjk h LYS 75 N 7.78 0.00 0.60 1.68 3.64 -1.99 -1.66 116.57 126.61 1pjk h LYS 75 Ca -0.23 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1pjk h LYS 75 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1pjk h LYS 75 CO 0.16 0.00 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.80 1pjk h LYS 76 N 0.00 -0.82 0.00 1.90 3.64 -1.96 -2.53 116.57 116.81 1pjk h LYS 76 Ca 0.15 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1pjk h LYS 76 Cb 0.78 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1pjk h LYS 76 CO -0.00 -0.54 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.21 1pjk h LYS 77 N -0.85 0.00 0.06 1.90 3.64 -1.74 -2.62 116.57 116.97 1pjk h LYS 77 Ca -0.08 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 1pjk h LYS 77 Cb 0.67 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1pjk h LYS 77 CO 0.11 0.20 -0.81 0.82 -2.27 0.00 0.00 179.45 177.50 1pjk h ILE 78 N 0.00 1.41 -0.04 2.00 1.08 -1.40 -2.69 117.51 117.87 1pjk h ILE 78 Ca -0.00 -2.28 -0.12 0.00 -0.39 0.00 0.00 64.86 62.07 1pjk h ILE 78 Cb 0.36 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 1pjk h ILE 78 CO 0.03 0.67 -0.53 0.11 -0.69 0.00 0.00 178.15 177.73 1pjk h LYS 79 N -0.07 0.11 -0.41 2.37 1.57 -1.48 -2.85 116.57 115.81 1pjk h LYS 79 Ca -0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1pjk h LYS 79 Cb 1.54 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 1pjk h LYS 79 CO 0.16 0.61 0.19 -0.09 -0.57 0.00 0.00 179.45 179.74 1pjk h ARG 80 N 0.08 0.60 -0.47 3.15 2.43 -1.45 0.07 114.38 118.79 1pjk h ARG 80 Ca -0.00 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1pjk h ARG 80 Cb 0.96 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1pjk h ARG 80 CO 0.07 0.53 0.01 1.49 -1.51 0.00 0.00 179.97 180.57 1pjk h GLU 81 N 0.52 0.82 -0.75 0.20 4.81 -1.43 -2.18 114.58 116.57 1pjk h GLU 81 Ca 0.14 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1pjk h GLU 81 Cb 0.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1pjk h GLU 81 CO -0.02 0.87 0.30 0.82 -0.73 0.00 0.00 179.01 180.26 1pjk h ILE 82 N 0.68 1.25 0.00 2.32 2.04 -1.35 -2.43 117.51 120.02 1pjk h ILE 82 Ca 0.13 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 1pjk h ILE 82 Cb 0.49 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1pjk h ILE 82 CO 0.02 0.32 -0.51 0.50 0.00 0.00 0.00 178.15 178.48 1pjk h LYS 83 N 1.09 0.00 0.14 2.37 1.63 -0.87 -2.12 116.57 118.82 1pjk h LYS 83 Ca 0.25 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.77 1pjk h LYS 83 Cb 0.21 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1pjk h LYS 83 CO -0.02 0.51 -1.28 0.82 -3.45 0.00 0.00 179.45 176.03 1pjk h ILE 84 N 0.00 1.46 -0.41 2.00 2.04 -1.32 -2.38 117.51 118.90 1pjk h ILE 84 Ca -0.01 -3.01 -0.15 0.00 1.00 0.00 0.00 64.86 62.69 1pjk h ILE 84 Cb 1.23 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 40.26 1pjk h ILE 84 CO 0.07 0.88 -0.32 -0.07 0.00 0.00 0.00 178.15 178.70 1pjk h LEU 85 N 0.08 0.99 -0.18 1.44 3.38 -1.41 -1.79 115.31 117.84 1pjk h LEU 85 Ca -0.15 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 1pjk h LEU 85 Cb 2.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1pjk h LEU 85 CO 0.21 1.22 0.01 -0.33 0.09 0.00 0.00 178.44 179.64 1pjk h GLU 86 N 0.79 0.31 -0.67 1.13 5.08 -1.45 -1.70 114.58 118.06 1pjk h GLU 86 Ca 0.08 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1pjk h GLU 86 Cb 0.91 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1pjk h GLU 86 CO 0.08 0.51 0.44 -0.91 -1.00 0.00 0.00 179.01 178.13 1pjk h ASN 87 N 0.07 0.59 -0.15 1.42 2.35 -1.37 -2.82 115.58 115.65 1pjk h ASN 87 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1pjk h ASN 87 Cb 0.37 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1pjk h ASN 87 CO 0.01 0.38 0.00 0.18 -1.65 0.00 0.00 177.43 176.35 1pjk n LEU 88 N -4.48 2.63 -4.68 1.61 4.77 -0.68 -4.96 117.00 111.22 1pjk n LEU 88 Ca 0.10 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.65 1pjk n LEU 88 Cb 0.24 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1pjk n LEU 88 CO 0.34 0.50 1.52 -1.14 -1.33 0.00 0.00 177.39 177.27 1pjk n ARG 89 N 1.00 2.71 0.00 3.23 0.63 -0.65 -2.05 116.66 121.53 1pjk n ARG 89 Ca 0.17 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 1pjk n ARG 89 Cb 0.51 -2.90 0.00 0.00 0.45 0.00 0.00 32.46 30.52 1pjk n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pjk n GLY 90 N 4.35 1.75 3.75 5.14 0.00 -1.26 -5.07 105.19 113.84 1pjk n GLY 90 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1pjk n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pjk s GLY 91 N -2.33 2.07 0.11 -0.02 0.00 -0.87 -4.91 107.32 101.37 1pjk s GLY 91 Ca 0.00 0.58 -0.31 0.00 0.00 0.00 0.00 44.72 44.99 1pjk s GLY 91 CO 0.00 0.96 1.66 2.56 0.00 0.00 0.00 173.10 178.27 1pjk s PRO 92 N -4.24 4.19 -1.94 2.90 0.04 -1.26 -2.73 135.00 131.96 1pjk s PRO 92 Ca 0.68 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.10 1pjk s PRO 92 Cb -0.22 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1pjk s PRO 92 CO 0.47 -0.71 0.00 0.09 0.04 0.00 0.00 177.00 176.88 1pjk n ASN 93 N 5.10 -5.04 -4.79 6.66 3.02 -1.26 -4.00 115.26 114.94 1pjk n ASN 93 Ca 0.16 0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 54.78 1pjk n ASN 93 Cb 0.39 -4.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.08 1pjk n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pjk s ILE 94 N -2.54 5.10 0.34 2.41 -1.09 -1.10 -0.43 121.20 123.89 1pjk s ILE 94 Ca 0.00 0.84 -0.28 0.00 -2.23 0.00 0.00 60.65 58.99 1pjk s ILE 94 Cb 0.00 -3.73 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1pjk s ILE 94 CO 0.00 0.49 1.20 -0.51 -1.23 0.00 0.00 174.94 174.89 1pjk s ILE 95 N -0.43 3.08 -0.20 2.92 -1.16 -1.06 -4.79 121.20 119.56 1pjk s ILE 95 Ca 0.24 1.02 -0.16 0.00 -0.51 0.00 0.00 60.65 61.23 1pjk s ILE 95 Cb -0.16 -3.62 -0.04 0.00 0.61 0.00 0.00 42.46 39.25 1pjk s ILE 95 CO 0.11 0.19 0.41 -0.89 -2.81 0.00 0.00 174.94 171.96 1pjk s THR 96 N -1.25 5.19 -0.46 4.00 2.01 -1.26 -4.88 115.64 119.00 1pjk s THR 96 Ca 0.51 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 62.97 1pjk s THR 96 Cb -0.34 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1pjk s THR 96 CO 0.44 0.24 1.07 -0.22 -0.69 0.00 0.00 174.62 175.46 1pjk s LEU 97 N 1.36 3.77 0.08 4.42 2.96 -1.26 -2.53 118.68 127.48 1pjk s LEU 97 Ca 0.20 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1pjk s LEU 97 Cb -0.15 -3.44 -0.26 0.00 0.50 0.00 0.00 46.19 42.84 1pjk s LEU 97 CO 0.08 -1.15 1.16 0.00 -1.32 0.00 0.00 176.35 175.12 1pjk h ALA 98 N 9.06 0.18 -2.51 5.97 0.00 -0.74 -3.49 119.26 127.73 1pjk h ALA 98 Ca -0.23 -0.91 0.15 0.00 0.00 0.00 0.00 54.91 53.92 1pjk h ALA 98 Cb 1.07 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1pjk h ALA 98 CO 1.09 1.06 0.42 0.34 0.00 0.00 0.00 179.25 182.16 1pjk s ASP 99 N -7.01 -0.20 -0.06 0.00 2.15 -1.03 -5.00 116.67 105.52 1pjk s ASP 99 Ca -0.03 -0.45 -0.01 0.00 0.43 0.00 0.00 52.55 52.49 1pjk s ASP 99 Cb 0.08 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 1pjk s ASP 99 CO 0.87 -1.01 0.01 -0.63 -0.17 0.00 0.00 175.17 174.23 1pjk s ILE 100 N -3.44 0.25 0.16 4.11 1.01 -1.26 -1.50 121.20 120.53 1pjk s ILE 100 Ca 0.12 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1pjk s ILE 100 Cb -0.03 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1pjk s ILE 100 CO 0.03 0.22 -0.14 0.68 0.00 0.00 0.00 174.94 175.74 1pjk s VAL 101 N 1.79 1.51 -0.20 2.92 -7.23 -0.67 -1.13 120.40 117.39 1pjk s VAL 101 Ca 0.02 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1pjk s VAL 101 Cb -0.13 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1pjk s VAL 101 CO -0.04 -0.52 0.78 -0.54 -0.31 0.00 0.00 175.10 174.47 1pjk s LYS 102 N -3.21 4.23 -0.04 4.82 1.02 -1.26 -0.07 119.74 125.23 1pjk s LYS 102 Ca 0.16 0.90 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 1pjk s LYS 102 Cb -0.02 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1pjk s LYS 102 CO 0.04 -0.38 1.21 0.34 -0.92 0.00 0.00 175.35 175.64 1pjk s ASP 103 N 1.24 7.04 0.44 2.83 2.15 -0.99 -4.79 116.67 124.60 1pjk s ASP 103 Ca 0.35 1.85 0.23 0.00 0.43 0.00 0.00 52.55 55.41 1pjk s ASP 103 Cb -0.16 -2.56 0.98 0.00 -0.30 0.00 0.00 42.92 40.88 1pjk s ASP 103 CO 0.10 -0.58 1.86 1.55 -0.17 0.00 0.00 175.17 177.93 1pjk h PRO 104 N 7.41 0.00 0.00 4.34 0.13 -1.96 -0.35 132.00 141.57 1pjk h PRO 104 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1pjk h PRO 104 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1pjk h PRO 104 CO 0.87 0.24 -0.15 0.28 -0.23 0.00 0.00 178.00 179.01 1pjk h VAL 105 N 0.00 1.09 0.00 1.56 2.07 -1.98 -3.37 116.25 115.62 1pjk h VAL 105 Ca -0.00 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 1pjk h VAL 105 Cb 0.68 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1pjk h VAL 105 CO 0.03 0.37 -0.14 0.77 0.02 0.00 0.00 177.57 178.63 1pjk h SER 106 N -1.00 0.00 -2.78 0.57 4.64 -1.99 -3.47 113.55 109.52 1pjk h SER 106 Ca -0.03 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.88 1pjk h SER 106 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 1pjk h SER 106 CO -0.02 0.01 -0.50 0.54 -0.87 0.00 0.00 176.83 175.99 1pjk n ARG 107 N -3.05 -1.68 -4.38 4.77 1.74 -0.14 -5.01 116.66 108.91 1pjk n ARG 107 Ca 0.03 1.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.93 1pjk n ARG 107 Cb 0.54 -5.64 -0.10 0.00 -1.02 0.00 0.00 32.46 26.23 1pjk n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pjk s THR 108 N -2.98 1.96 0.61 0.55 -4.23 -1.25 -4.92 115.64 105.38 1pjk s THR 108 Ca 0.00 -2.23 -0.19 0.00 -1.18 0.00 0.00 61.69 58.08 1pjk s THR 108 Cb 0.00 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1pjk s THR 108 CO 0.00 -0.51 1.29 -0.81 -0.54 0.00 0.00 174.62 174.06 1pjk n PRO 109 N -0.37 1.30 -3.76 3.99 -0.04 -1.26 -2.34 135.00 132.51 1pjk n PRO 109 Ca -0.08 0.49 -0.24 0.00 -0.04 0.00 0.00 63.50 63.64 1pjk n PRO 109 Cb 0.60 -2.52 -0.17 0.00 -0.04 0.00 0.00 33.50 31.36 1pjk n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pjk s ALA 110 N -1.36 0.76 -0.23 0.55 0.00 0.90 -2.27 121.76 120.11 1pjk s ALA 110 Ca 0.79 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1pjk s ALA 110 Cb -0.40 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1pjk s ALA 110 CO 0.44 -0.59 0.60 -0.51 0.00 0.00 0.00 175.76 175.70 1pjk s LEU 111 N 1.95 4.10 -0.29 0.00 1.43 0.40 -1.67 118.68 124.60 1pjk s LEU 111 Ca 0.04 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 1pjk s LEU 111 Cb -0.13 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1pjk s LEU 111 CO -0.06 -0.30 0.31 -0.69 0.23 0.00 0.00 176.35 175.84 1pjk s VAL 112 N 2.17 5.22 0.36 -1.59 1.01 -0.56 -0.86 120.40 126.14 1pjk s VAL 112 Ca 0.26 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.65 1pjk s VAL 112 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1pjk s VAL 112 CO 0.09 0.13 0.21 -0.36 0.00 0.00 0.00 175.10 175.17 1pjk s PHE 113 N 1.96 2.74 0.87 5.22 0.08 0.41 -0.00 117.98 129.26 1pjk s PHE 113 Ca 0.12 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 1pjk s PHE 113 Cb -0.16 -1.78 0.12 0.00 -0.57 0.00 0.00 43.02 40.63 1pjk s PHE 113 CO 0.11 0.23 1.16 -1.83 -0.10 0.00 0.00 175.22 174.78 1pjk s GLU 114 N -3.92 1.31 -0.05 0.44 -1.05 -1.05 -1.91 118.70 112.47 1pjk s GLU 114 Ca 0.40 1.57 -0.15 0.00 -0.15 0.00 0.00 54.97 56.65 1pjk s GLU 114 Cb -0.03 -1.76 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1pjk s GLU 114 CO 0.24 -2.42 0.38 -1.58 0.95 0.00 0.00 175.26 172.84 1pjk s HIS 115 N -2.53 3.64 -0.16 4.83 5.65 -1.26 -4.36 115.29 121.11 1pjk s HIS 115 Ca 0.68 0.88 0.02 0.00 0.25 0.00 0.00 55.06 56.89 1pjk s HIS 115 Cb -0.24 -2.32 0.01 0.00 -1.18 0.00 0.00 32.58 28.86 1pjk s HIS 115 CO 0.55 0.51 -0.21 0.08 -0.65 0.00 0.00 174.74 175.02 1pjk s VAL 116 N -0.54 2.06 -1.24 0.89 1.01 -1.26 -5.02 120.40 116.30 1pjk s VAL 116 Ca 0.22 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1pjk s VAL 116 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1pjk s VAL 116 CO 0.11 0.55 2.14 -3.20 0.00 0.00 0.00 175.10 174.69 1pjk n ASN 117 N 4.30 3.50 -4.80 3.32 2.85 -1.26 -4.95 115.26 118.22 1pjk n ASN 117 Ca -0.20 -2.78 -0.31 0.00 -0.11 0.00 0.00 54.58 51.17 1pjk n ASN 117 Cb 0.51 -1.48 0.06 0.00 1.24 0.00 0.00 39.78 40.11 1pjk n ASN 117 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1pjk s ASN 118 N 3.76 5.12 0.01 1.20 2.47 -1.26 -4.45 114.94 121.79 1pjk s ASN 118 Ca 0.51 1.70 0.05 0.00 0.42 0.00 0.00 52.86 55.53 1pjk s ASN 118 Cb 0.14 -2.51 -0.03 0.00 -1.45 0.00 0.00 41.25 37.40 1pjk s ASN 118 CO -0.02 -1.62 -0.13 -0.89 -3.72 0.00 0.00 177.10 170.73 1pjk s THR 119 N -2.96 3.20 0.19 -5.21 2.01 -1.05 -4.97 115.64 106.85 1pjk s THR 119 Ca 0.59 -0.92 -0.33 0.00 0.31 0.00 0.00 61.69 61.35 1pjk s THR 119 Cb -0.15 -2.35 -0.14 0.00 0.01 0.00 0.00 72.50 69.87 1pjk s THR 119 CO 0.54 0.42 1.43 -0.67 -0.69 0.00 0.00 174.62 175.65 1pjk n ASP 120 N 1.72 2.62 0.25 3.53 2.03 -1.26 -4.79 116.55 120.65 1pjk n ASP 120 Ca -0.16 1.12 0.16 0.00 0.52 0.00 0.00 54.79 56.43 1pjk n ASP 120 Cb 0.52 -1.38 0.60 0.00 -0.72 0.00 0.00 41.12 40.13 1pjk n ASP 120 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1pjk h PHE 121 N 4.71 0.00 -0.11 -0.67 -0.00 -1.96 -2.33 116.94 116.58 1pjk h PHE 121 Ca -0.45 0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 57.32 1pjk h PHE 121 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 1pjk h PHE 121 CO 0.58 0.00 -0.74 0.87 -0.00 0.00 0.00 178.31 179.02 1pjk h LYS 122 N 0.00 0.55 -0.02 6.09 1.57 -2.00 -2.71 116.57 120.04 1pjk h LYS 122 Ca 0.00 -0.44 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1pjk h LYS 122 Cb 0.56 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pjk h LYS 122 CO 0.00 1.07 -0.52 1.96 -0.57 0.00 0.00 179.45 181.39 1pjk h GLN 123 N 0.38 0.06 0.03 3.15 4.20 -1.85 -3.36 115.11 117.71 1pjk h GLN 123 Ca -0.04 -0.04 -0.31 0.00 0.06 0.00 0.00 58.65 58.33 1pjk h GLN 123 Cb 1.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1pjk h GLN 123 CO 0.14 0.57 -1.80 -0.11 -0.67 0.00 0.00 178.83 176.96 1pjk n LEU 124 N -3.92 1.21 0.01 1.46 7.94 -0.91 -3.89 117.00 118.89 1pjk n LEU 124 Ca -0.02 0.36 0.13 0.00 -1.11 0.00 0.00 56.01 55.37 1pjk n LEU 124 Cb 0.54 -0.08 0.43 0.00 0.53 0.00 0.00 43.42 44.83 1pjk n LEU 124 CO 0.41 0.49 0.70 -1.22 -1.11 0.00 0.00 177.39 176.66 1pjk n TYR 125 N -3.12 0.05 1.21 1.96 4.02 -1.03 -2.51 117.16 117.73 1pjk n TYR 125 Ca -0.21 0.01 0.10 0.00 -0.01 0.00 0.00 57.90 57.80 1pjk n TYR 125 Cb 1.05 -0.40 0.36 0.00 -0.02 0.00 0.00 39.34 40.33 1pjk n TYR 125 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1pjk n GLN 126 N -1.55 1.73 0.00 -0.72 6.02 -1.25 -4.37 117.38 117.24 1pjk n GLN 126 Ca 0.06 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 1pjk n GLN 126 Cb 0.34 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1pjk n GLN 126 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1pjk n THR 127 N 0.32 0.00 -2.10 5.09 -1.04 -1.09 -5.07 114.28 110.39 1pjk n THR 127 Ca 0.16 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1pjk n THR 127 Cb 0.32 0.64 -0.02 0.00 -1.82 0.00 0.00 70.33 69.45 1pjk n THR 127 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1pjk s LEU 128 N -1.00 4.41 0.69 -4.42 1.43 -1.05 -5.02 118.68 113.73 1pjk s LEU 128 Ca 0.00 2.59 -0.05 0.00 -1.03 0.00 0.00 54.13 55.65 1pjk s LEU 128 Cb 0.00 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.67 1pjk s LEU 128 CO 0.00 -0.60 0.98 0.42 0.23 0.00 0.00 176.35 177.38 1pjk s THR 129 N -0.29 2.32 0.37 5.49 -4.23 -1.26 -4.89 115.64 113.14 1pjk s THR 129 Ca 0.56 -0.37 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1pjk s THR 129 Cb -0.40 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 70.82 1pjk s THR 129 CO 0.44 0.00 1.91 -0.78 -0.54 0.00 0.00 174.62 175.65 1pjk h ASP 130 N -0.52 0.62 -0.03 3.99 3.58 -1.93 -2.08 116.42 120.06 1pjk h ASP 130 Ca -0.43 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 1pjk h ASP 130 Cb 1.30 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1pjk h ASP 130 CO 0.55 0.35 -0.03 0.22 -2.88 0.00 0.00 179.24 177.45 1pjk h TYR 131 N 0.68 0.08 -0.96 0.28 3.20 -1.95 -2.99 116.97 115.32 1pjk h TYR 131 Ca 0.39 -0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.40 1pjk h TYR 131 Cb 0.58 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 1pjk h TYR 131 CO -0.00 0.54 0.57 -0.44 -1.64 0.00 0.00 178.16 177.19 1pjk h ASP 132 N -0.40 0.75 -0.40 -2.11 3.32 -1.82 0.28 116.42 116.05 1pjk h ASP 132 Ca 0.00 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1pjk h ASP 132 Cb 0.53 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1pjk h ASP 132 CO 0.01 0.32 0.04 0.40 -1.72 0.00 0.00 179.24 178.28 1pjk h ILE 133 N 0.79 1.25 -0.52 0.35 2.04 -1.39 -0.91 117.51 119.11 1pjk h ILE 133 Ca 0.52 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1pjk h ILE 133 Cb 0.72 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1pjk h ILE 133 CO -0.35 0.31 -0.02 0.03 0.00 0.00 0.00 178.15 178.13 1pjk h ARG 134 N 0.51 0.93 0.48 2.37 3.08 -1.28 -1.90 114.38 118.57 1pjk h ARG 134 Ca 0.12 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1pjk h ARG 134 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1pjk h ARG 134 CO 0.01 0.96 -0.36 0.35 -1.07 0.00 0.00 179.97 179.87 1pjk h PHE 135 N 0.80 -0.95 -0.06 3.04 3.57 -0.58 -1.42 116.94 121.34 1pjk h PHE 135 Ca 0.15 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1pjk h PHE 135 Cb 0.55 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1pjk h PHE 135 CO 0.04 -0.52 -0.43 1.88 -2.23 0.00 0.00 178.31 177.04 1pjk h TYR 136 N -0.82 0.15 -0.72 0.41 0.05 -1.22 -2.05 116.97 112.77 1pjk h TYR 136 Ca -0.05 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 1pjk h TYR 136 Cb 0.69 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 1pjk h TYR 136 CO -0.15 0.55 0.24 0.52 -1.05 0.00 0.00 178.16 178.27 1pjk h MET 137 N 0.11 1.12 -0.81 4.88 2.86 -1.13 0.31 114.93 122.25 1pjk h MET 137 Ca 0.01 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1pjk h MET 137 Cb 0.82 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1pjk h MET 137 CO 0.06 0.95 0.35 -0.92 1.06 0.00 0.00 176.91 178.41 1pjk h TYR 138 N 1.06 1.21 -0.46 -0.22 3.20 -1.00 -1.57 116.97 119.19 1pjk h TYR 138 Ca 0.24 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1pjk h TYR 138 Cb 0.28 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1pjk h TYR 138 CO 0.02 0.89 -0.02 0.93 -1.64 0.00 0.00 178.16 178.34 1pjk h GLU 139 N 1.17 0.76 -0.12 1.82 4.39 -0.79 -1.38 114.58 120.43 1pjk h GLU 139 Ca 0.27 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1pjk h GLU 139 Cb 0.17 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1pjk h GLU 139 CO -0.03 0.79 -0.58 0.82 -1.16 0.00 0.00 179.01 178.85 1pjk h ILE 140 N 0.71 1.35 -0.48 3.13 2.04 -0.79 -3.20 117.51 120.27 1pjk h ILE 140 Ca 0.14 -1.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.04 1pjk h ILE 140 Cb 0.47 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1pjk h ILE 140 CO 0.02 0.57 0.02 -0.07 0.00 0.00 0.00 178.15 178.69 1pjk h LEU 141 N 0.29 0.82 -0.92 1.44 3.38 -0.76 -0.81 115.31 118.76 1pjk h LEU 141 Ca -0.00 -0.30 0.18 0.00 0.09 0.00 0.00 57.88 57.85 1pjk h LEU 141 Cb 1.09 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1pjk h LEU 141 CO 0.10 0.92 0.50 0.11 0.09 0.00 0.00 178.44 180.15 1pjk h LYS 142 N 0.70 0.62 -0.27 1.13 1.57 -1.28 -0.20 116.57 118.84 1pjk h LYS 142 Ca 0.14 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1pjk h LYS 142 Cb 0.48 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1pjk h LYS 142 CO 0.02 0.41 -0.36 0.00 -0.57 0.00 0.00 179.45 178.95 1pjk h ALA 143 N 1.62 0.41 -0.18 3.86 0.00 -1.38 -2.52 119.26 121.08 1pjk h ALA 143 Ca 0.53 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1pjk h ALA 143 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pjk h ALA 143 CO -0.40 0.49 -0.36 -0.07 0.00 0.00 0.00 179.25 178.91 1pjk h LEU 144 N 0.47 0.62 -1.08 0.00 3.38 -0.66 -2.30 115.31 115.74 1pjk h LEU 144 Ca 0.03 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 1pjk h LEU 144 Cb 0.95 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1pjk h LEU 144 CO 0.09 1.06 0.05 -0.78 0.09 0.00 0.00 178.44 178.94 1pjk h ASP 145 N 0.21 0.66 -0.01 -0.43 3.58 -1.13 -0.98 116.42 118.31 1pjk h ASP 145 Ca 0.01 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1pjk h ASP 145 Cb 0.96 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1pjk h ASP 145 CO 0.08 0.70 0.01 0.22 -2.88 0.00 0.00 179.24 177.36 1pjk h TYR 146 N 0.67 0.02 -0.25 0.28 3.20 -1.38 -0.40 116.97 119.11 1pjk h TYR 146 Ca 0.14 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 1pjk h TYR 146 Cb 0.35 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1pjk h TYR 146 CO 0.02 0.12 -0.42 0.00 -1.64 0.00 0.00 178.16 176.24 1pjk h HIS 148 N 0.45 0.68 0.00 0.00 3.86 -0.97 -0.54 115.15 118.64 1pjk h HIS 148 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1pjk h HIS 148 Cb 1.01 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1pjk h HIS 148 CO 0.08 0.17 0.00 0.66 0.86 0.00 0.00 177.93 179.70 1pjk h SER 149 N 0.58 0.00 -0.68 2.45 4.64 -0.49 -0.74 113.55 119.31 1pjk h SER 149 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1pjk h SER 149 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1pjk h SER 149 CO -0.34 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.85 1pjk n MET 150 N -2.52 2.72 -2.02 4.77 2.81 -0.31 -4.97 117.12 117.59 1pjk n MET 150 Ca 0.03 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 1pjk n MET 150 Cb 0.32 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1pjk n MET 150 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pjk n GLY 151 N 1.53 0.58 2.77 3.03 0.00 -0.28 -4.93 105.19 107.88 1pjk n GLY 151 Ca 0.23 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1pjk n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pjk s ILE 152 N -2.24 0.15 0.02 -0.61 1.01 -0.29 -1.79 121.20 117.45 1pjk s ILE 152 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1pjk s ILE 152 Cb 0.00 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 1pjk s ILE 152 CO 0.00 0.18 0.24 0.00 0.00 0.00 0.00 174.94 175.36 1pjk s MET 153 N 1.51 3.52 0.02 2.79 0.23 -0.61 -2.71 119.30 124.06 1pjk s MET 153 Ca -0.03 -0.19 -0.16 0.00 -1.03 0.00 0.00 55.69 54.29 1pjk s MET 153 Cb -0.13 -3.06 -0.35 0.00 -1.53 0.00 0.00 34.83 29.76 1pjk s MET 153 CO -0.03 0.64 0.96 1.25 -2.03 0.00 0.00 175.02 175.81 1pjk h HIS 154 N 3.75 0.96 0.00 3.16 2.76 -1.91 -2.13 115.15 121.75 1pjk h HIS 154 Ca -0.49 -0.70 0.00 0.00 -2.20 0.00 0.00 60.37 56.98 1pjk h HIS 154 Cb 1.19 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.11 1pjk h HIS 154 CO 0.67 1.58 0.00 0.54 -1.30 0.00 0.00 177.93 179.41 1pjk n ARG 155 N -3.72 -1.82 -2.68 5.26 1.74 -1.26 -3.13 116.66 111.05 1pjk n ARG 155 Ca -0.18 0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 57.22 1pjk n ARG 155 Cb 1.10 -4.61 0.07 0.00 -1.02 0.00 0.00 32.46 28.00 1pjk n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pjk n ASP 156 N -0.43 0.05 -4.61 0.55 2.03 -1.26 -1.57 116.55 111.31 1pjk n ASP 156 Ca 0.00 -2.57 -0.43 0.00 0.52 0.00 0.00 54.79 52.31 1pjk n ASP 156 Cb 0.39 0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1pjk n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pjk s VAL 157 N -1.75 4.36 0.19 5.18 1.01 -1.26 -4.82 120.40 123.31 1pjk s VAL 157 Ca 0.25 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 1pjk s VAL 157 Cb 0.43 -4.50 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1pjk s VAL 157 CO -0.02 -0.76 0.52 -1.59 0.00 0.00 0.00 175.10 173.25 1pjk s LYS 158 N 4.04 1.37 0.50 2.72 -2.85 -1.26 -4.73 119.74 119.53 1pjk s LYS 158 Ca 0.46 -0.86 0.20 0.00 -1.00 0.00 0.00 55.97 54.77 1pjk s LYS 158 Cb -0.10 0.52 1.25 0.00 -2.06 0.00 0.00 37.83 37.44 1pjk s LYS 158 CO 0.24 -0.58 2.02 -1.35 0.10 0.00 0.00 175.35 175.78 1pjk h PRO 159 N 2.20 0.14 0.00 1.78 0.11 -1.93 -1.69 132.00 132.59 1pjk h PRO 159 Ca -0.29 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1pjk h PRO 159 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1pjk h PRO 159 CO 0.38 0.09 -0.41 0.45 -0.21 0.00 0.00 178.00 178.29 1pjk h HIS 160 N 0.14 0.00 -0.16 0.65 3.86 -1.97 -2.87 115.15 114.81 1pjk h HIS 160 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1pjk h HIS 160 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1pjk h HIS 160 CO -0.00 0.41 0.00 0.09 0.86 0.00 0.00 177.93 179.29 1pjk n ASN 161 N -4.01 0.95 -3.98 2.45 3.02 -0.64 -4.67 115.26 108.39 1pjk n ASN 161 Ca -0.02 -1.88 -0.31 0.00 -0.03 0.00 0.00 54.58 52.34 1pjk n ASN 161 Cb 0.45 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.36 1pjk n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pjk s VAL 162 N -1.79 2.04 -0.20 2.41 1.01 -1.08 -1.24 120.40 121.55 1pjk s VAL 162 Ca 0.17 -2.11 -0.28 0.00 0.00 0.00 0.00 61.98 59.76 1pjk s VAL 162 Cb 0.09 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1pjk s VAL 162 CO 0.13 -0.54 0.98 -0.04 0.00 0.00 0.00 175.10 175.62 1pjk s MET 163 N 1.04 4.29 -0.18 2.72 -1.94 -0.46 -4.93 119.30 119.84 1pjk s MET 163 Ca 0.08 1.26 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 1pjk s MET 163 Cb -0.19 -3.61 0.01 0.00 2.01 0.00 0.00 34.83 33.05 1pjk s MET 163 CO -0.10 -0.51 -0.18 0.42 -0.01 0.00 0.00 175.02 174.64 1pjk s ILE 164 N 2.76 2.25 -0.93 2.53 1.01 -1.26 -0.72 121.20 126.84 1pjk s ILE 164 Ca 0.43 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 1pjk s ILE 164 Cb -0.16 -1.95 0.15 0.00 0.01 0.00 0.00 42.46 40.51 1pjk s ILE 164 CO 0.09 0.53 1.08 -0.62 0.00 0.00 0.00 174.94 176.02 1pjk s ASP 165 N 1.25 6.69 0.54 3.58 2.15 0.70 -2.54 116.67 129.04 1pjk s ASP 165 Ca 0.04 -2.24 0.27 0.00 0.43 0.00 0.00 52.55 51.04 1pjk s ASP 165 Cb -0.13 -2.36 1.52 0.00 -0.30 0.00 0.00 42.92 41.65 1pjk s ASP 165 CO -0.10 -0.95 2.13 -0.74 -0.17 0.00 0.00 175.17 175.34 1pjk h HIS 166 N 8.51 0.00 0.26 -5.34 -0.00 -1.84 0.24 115.15 116.99 1pjk h HIS 166 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1pjk h HIS 166 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1pjk h HIS 166 CO 1.13 0.08 -0.21 1.49 -0.00 0.00 0.00 177.93 180.43 1pjk h GLU 167 N 0.00 -0.47 -0.27 5.26 4.81 -1.92 -3.14 114.58 118.85 1pjk h GLU 167 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pjk h GLU 167 Cb 0.22 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1pjk h GLU 167 CO 0.01 -0.31 0.00 0.72 -0.73 0.00 0.00 179.01 178.70 1pjk n HIS 168 N -5.34 0.34 -3.71 0.92 8.25 -0.95 -4.95 115.22 109.79 1pjk n HIS 168 Ca -0.09 -0.17 -0.28 0.00 -0.26 0.00 0.00 57.72 56.92 1pjk n HIS 168 Cb 0.25 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 1pjk n HIS 168 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pjk n ARG 169 N 1.11 -5.33 -3.60 -0.41 1.74 -0.01 -4.98 116.66 105.18 1pjk n ARG 169 Ca 0.18 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.51 1pjk n ARG 169 Cb 0.52 -5.51 -0.06 0.00 -1.02 0.00 0.00 32.46 26.39 1pjk n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1pjk s LYS 170 N -6.41 3.84 0.02 5.56 2.20 -0.72 -4.97 119.74 119.26 1pjk s LYS 170 Ca 0.58 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 1pjk s LYS 170 Cb -0.29 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1pjk s LYS 170 CO 0.72 0.65 -0.09 -1.17 -0.36 0.00 0.00 175.35 175.11 1pjk s LEU 171 N -0.86 2.11 -0.11 5.43 0.20 -1.26 -0.21 118.68 123.97 1pjk s LEU 171 Ca 0.21 -0.31 -0.06 0.00 0.69 0.00 0.00 54.13 54.66 1pjk s LEU 171 Cb -0.15 -0.36 0.05 0.00 -0.43 0.00 0.00 46.19 45.30 1pjk s LEU 171 CO 0.10 -0.00 0.27 -0.13 -0.29 0.00 0.00 176.35 176.29 1pjk s ARG 172 N -0.75 0.22 -0.20 1.98 1.81 0.10 -4.56 118.95 117.56 1pjk s ARG 172 Ca -0.01 0.58 -0.23 0.00 -1.72 0.00 0.00 55.73 54.36 1pjk s ARG 172 Cb -0.06 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.32 1pjk s ARG 172 CO 0.00 -0.17 0.73 -1.17 -0.68 0.00 0.00 175.30 174.00 1pjk s LEU 173 N 1.39 4.14 0.00 2.53 2.96 0.43 -1.36 118.68 128.76 1pjk s LEU 173 Ca -0.08 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1pjk s LEU 173 Cb -0.10 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.56 1pjk s LEU 173 CO -0.09 -0.36 0.17 2.30 -1.32 0.00 0.00 176.35 177.04 1pjk n ILE 174 N 4.84 0.00 -3.06 6.68 -5.35 -0.37 -2.57 119.36 119.53 1pjk n ILE 174 Ca 0.02 -2.34 -0.17 0.00 -0.27 0.00 0.00 62.75 59.98 1pjk n ILE 174 Cb 0.49 0.28 0.02 0.00 -1.74 0.00 0.00 39.64 38.69 1pjk n ILE 174 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1pjk n ASP 175 N -1.52 -7.16 -1.96 7.28 4.64 -1.26 -4.88 116.55 111.69 1pjk n ASP 175 Ca -0.14 0.38 -0.16 0.00 -1.38 0.00 0.00 54.79 53.49 1pjk n ASP 175 Cb 0.65 -4.11 0.18 0.00 -1.04 0.00 0.00 41.12 36.79 1pjk n ASP 175 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 1pjk n TRP 176 N -0.14 2.41 0.12 -0.67 7.02 -1.26 -4.54 117.44 120.38 1pjk n TRP 176 Ca 0.04 -1.46 -0.02 0.00 -1.02 0.00 0.00 57.50 55.04 1pjk n TRP 176 Cb 0.50 -0.77 0.16 0.00 -2.42 0.00 0.00 31.31 28.78 1pjk n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1pjk h GLY 177 N 1.93 0.06 -0.58 6.99 0.00 -1.91 -2.87 103.07 106.69 1pjk h GLY 177 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1pjk h GLY 177 CO 0.84 0.07 -0.34 1.04 0.00 0.00 0.00 176.54 178.15 1pjk n LEU 178 N -3.82 1.70 -4.72 3.11 4.77 -1.26 -4.82 117.00 111.95 1pjk n LEU 178 Ca -0.01 -0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 55.03 1pjk n LEU 178 Cb 0.62 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1pjk n LEU 178 CO 0.43 0.31 0.88 0.00 -1.33 0.00 0.00 177.39 177.67 1pjk s ALA 179 N -2.43 2.26 0.12 -1.18 0.00 -1.09 -4.68 121.76 114.76 1pjk s ALA 179 Ca 0.22 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1pjk s ALA 179 Cb 0.19 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1pjk s ALA 179 CO 0.52 -1.76 0.33 -2.00 0.00 0.00 0.00 175.76 172.85 1pjk s GLU 180 N -3.55 1.02 -0.18 0.00 2.56 -0.80 -4.91 118.70 112.85 1pjk s GLU 180 Ca 0.81 -0.84 -0.24 0.00 0.00 0.00 0.00 54.97 54.69 1pjk s GLU 180 Cb -0.36 0.42 -0.02 0.00 2.00 0.00 0.00 34.13 36.18 1pjk s GLU 180 CO 0.42 -0.38 0.79 -0.06 -0.56 0.00 0.00 175.26 175.47 1pjk s PHE 181 N -3.84 3.40 -0.20 5.30 0.40 -1.26 -1.57 117.98 120.21 1pjk s PHE 181 Ca 0.05 1.17 -0.29 0.00 -0.60 0.00 0.00 56.93 57.27 1pjk s PHE 181 Cb 0.03 -2.97 -0.01 0.00 0.51 0.00 0.00 43.02 40.58 1pjk s PHE 181 CO -0.10 -0.23 1.29 -0.47 0.70 0.00 0.00 175.22 176.41 1pjk s TYR 182 N 2.13 2.76 -0.11 0.36 5.04 -0.74 -4.96 117.35 121.83 1pjk s TYR 182 Ca 0.36 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.95 1pjk s TYR 182 Cb -0.16 -3.64 0.01 0.00 0.35 0.00 0.00 41.96 38.52 1pjk s TYR 182 CO 0.12 -1.77 -0.17 -1.01 -1.34 0.00 0.00 175.55 171.38 1pjk s HIS 183 N 3.82 2.12 0.37 4.97 3.76 -1.26 -4.65 115.29 124.41 1pjk s HIS 183 Ca 0.56 -0.99 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 1pjk s HIS 183 Cb -0.20 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1pjk s HIS 183 CO 0.18 -0.48 1.32 -1.25 -0.85 0.00 0.00 174.74 173.66 1pjk s PRO 184 N 0.88 4.17 0.00 8.40 0.04 -1.26 -2.23 135.00 145.00 1pjk s PRO 184 Ca -0.08 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1pjk s PRO 184 Cb -0.15 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1pjk s PRO 184 CO -0.00 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1pjk n GLY 185 N 0.71 2.58 3.73 0.56 0.00 -1.26 -5.03 105.19 106.48 1pjk n GLY 185 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1pjk n GLY 185 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pjk s GLN 186 N -0.37 4.72 -0.19 1.61 0.74 -0.94 -5.02 119.66 120.19 1pjk s GLN 186 Ca 0.00 1.50 -0.16 0.00 0.05 0.00 0.00 55.36 56.75 1pjk s GLN 186 Cb 0.00 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 1pjk s GLN 186 CO 0.00 0.26 0.40 -1.21 -0.55 0.00 0.00 175.29 174.19 1pjk s GLU 187 N -0.30 4.19 0.33 1.67 2.02 -1.26 -4.55 118.70 120.80 1pjk s GLU 187 Ca 0.46 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.74 1pjk s GLU 187 Cb -0.25 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1pjk s GLU 187 CO 0.31 -0.02 0.29 0.71 0.02 0.00 0.00 175.26 176.58 1pjk s TYR 188 N 1.24 2.94 0.04 1.61 2.02 -0.16 -5.00 117.35 120.03 1pjk s TYR 188 Ca 0.19 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.31 1pjk s TYR 188 Cb -0.15 -1.77 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1pjk s TYR 188 CO 0.08 0.20 1.27 1.21 -1.57 0.00 0.00 175.55 176.74 1pjk s ASN 189 N -3.99 6.99 0.00 2.29 2.47 -1.26 -4.68 114.94 116.75 1pjk s ASN 189 Ca 0.40 2.05 0.29 0.00 0.42 0.00 0.00 52.86 56.02 1pjk s ASN 189 Cb -0.06 -2.57 1.59 0.00 -1.45 0.00 0.00 41.25 38.76 1pjk s ASN 189 CO 0.27 -0.57 2.05 1.33 -3.72 0.00 0.00 177.10 176.45 1pjk n VAL 190 N 4.21 0.04 -2.52 -5.21 0.24 -1.26 -4.30 118.33 109.53 1pjk n VAL 190 Ca 0.11 0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 1pjk n VAL 190 Cb 0.45 -0.54 0.01 0.00 -1.47 0.00 0.00 33.84 32.29 1pjk n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pjk n ARG 191 N -1.16 3.99 -4.37 7.34 5.12 -1.26 -4.84 116.66 121.47 1pjk n ARG 191 Ca 0.17 -3.86 -0.20 0.00 -1.93 0.00 0.00 57.85 52.04 1pjk n ARG 191 Cb 0.17 -2.77 -0.09 0.00 -1.16 0.00 0.00 32.46 28.61 1pjk n ARG 191 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1pjk s VAL 192 N -0.79 0.54 0.35 1.55 -7.23 -1.26 -5.12 120.40 108.44 1pjk s VAL 192 Ca 0.38 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1pjk s VAL 192 Cb 0.09 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1pjk s VAL 192 CO 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 1pjk n ALA 193 N -0.61 -3.21 -2.58 1.32 0.00 -0.61 -4.88 120.51 109.93 1pjk n ALA 193 Ca -0.01 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 1pjk n ALA 193 Cb 0.65 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1pjk n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pjk s SER 194 N -6.67 6.35 0.18 0.00 0.01 -1.26 -4.94 113.70 107.36 1pjk s SER 194 Ca 0.00 0.58 -0.14 0.00 1.31 0.00 0.00 55.95 57.70 1pjk s SER 194 Cb 0.00 -2.09 0.15 0.00 0.21 0.00 0.00 66.02 64.29 1pjk s SER 194 CO 0.00 -0.27 1.73 -0.09 0.41 0.00 0.00 173.24 175.01 1pjk h ARG 195 N 1.08 0.25 0.00 12.44 2.43 -1.98 -1.78 114.38 126.82 1pjk h ARG 195 Ca -0.49 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1pjk h ARG 195 Cb 1.21 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1pjk h ARG 195 CO 0.63 0.16 -0.11 1.88 -1.51 0.00 0.00 179.97 181.03 1pjk h TYR 196 N 0.25 0.00 -0.27 2.20 0.05 -1.93 -2.72 116.97 114.56 1pjk h TYR 196 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1pjk h TYR 196 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1pjk h TYR 196 CO -0.20 0.11 0.00 1.19 -1.05 0.00 0.00 178.16 178.21 1pjk n PHE 197 N -3.43 0.46 -2.38 4.88 3.72 -0.72 -4.69 117.46 115.30 1pjk n PHE 197 Ca -0.01 -0.58 -0.42 0.00 -0.05 0.00 0.00 57.45 56.39 1pjk n PHE 197 Cb 0.28 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1pjk n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1pjk s LYS 198 N -1.35 4.39 0.70 -1.08 1.02 -0.88 -4.30 119.74 118.25 1pjk s LYS 198 Ca 0.23 1.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.92 1pjk s LYS 198 Cb 0.14 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1pjk s LYS 198 CO 0.12 -0.34 1.06 0.20 -0.92 0.00 0.00 175.35 175.48 1pjk s GLY 199 N 1.21 1.67 0.54 -3.33 0.00 -1.26 -4.91 107.32 101.24 1pjk s GLY 199 Ca 0.59 0.09 0.20 0.00 0.00 0.00 0.00 44.72 45.60 1pjk s GLY 199 CO 0.28 0.41 2.18 -0.56 0.00 0.00 0.00 173.10 175.40 1pjk h PRO 200 N -0.76 0.00 -0.58 2.90 0.13 -1.93 -1.85 132.00 129.91 1pjk h PRO 200 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1pjk h PRO 200 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1pjk h PRO 200 CO 0.56 0.00 0.34 1.05 -0.23 0.00 0.00 178.00 179.73 1pjk h GLU 201 N 0.00 0.65 -0.56 0.86 9.09 -1.90 0.36 114.58 123.08 1pjk h GLU 201 Ca -0.00 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.33 1pjk h GLU 201 Cb 0.01 -0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 26.93 1pjk h GLU 201 CO 0.00 0.43 0.19 -0.07 0.05 0.00 0.00 179.01 179.61 1pjk h LEU 202 N 0.67 0.75 -0.60 3.06 3.38 -1.55 0.09 115.31 121.10 1pjk h LEU 202 Ca 0.24 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1pjk h LEU 202 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1pjk h LEU 202 CO -0.12 0.70 -0.59 -0.07 0.09 0.00 0.00 178.44 178.45 1pjk h LEU 203 N 0.80 0.00 -2.88 1.67 3.38 -1.01 -2.92 115.31 114.35 1pjk h LEU 203 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pjk h LEU 203 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pjk h LEU 203 CO -0.01 0.59 0.00 1.33 0.09 0.00 0.00 178.44 180.44 1pjk n VAL 204 N -3.57 1.27 -1.26 1.22 0.24 -0.01 -4.97 118.33 111.25 1pjk n VAL 204 Ca -0.00 -1.07 -0.07 0.00 -2.04 0.00 0.00 64.34 61.16 1pjk n VAL 204 Cb 0.65 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1pjk n VAL 204 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1pjk n ASP 205 N 1.44 -3.74 -4.62 -1.34 -0.08 -1.00 -4.89 116.55 102.32 1pjk n ASP 205 Ca 0.24 0.16 -0.43 0.00 -1.51 0.00 0.00 54.79 53.25 1pjk n ASP 205 Cb 0.70 -1.92 -0.03 0.00 2.34 0.00 0.00 41.12 42.22 1pjk n ASP 205 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1pjk s TYR 206 N -2.26 3.06 -0.73 -0.67 5.04 -0.02 -4.94 117.35 116.84 1pjk s TYR 206 Ca 0.00 0.96 0.24 0.00 -2.44 0.00 0.00 57.07 55.83 1pjk s TYR 206 Cb 0.00 -3.83 0.34 0.00 0.35 0.00 0.00 41.96 38.82 1pjk s TYR 206 CO 0.00 -0.89 1.30 1.04 -1.34 0.00 0.00 175.55 175.66 1pjk n GLN 207 N 7.04 0.22 -1.75 4.97 6.02 -1.26 -4.35 117.38 128.26 1pjk n GLN 207 Ca 0.10 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.80 1pjk n GLN 207 Cb 0.48 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 1pjk n GLN 207 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1pjk n MET 208 N -1.93 2.77 -2.10 -1.09 2.81 -1.26 -0.98 117.12 115.34 1pjk n MET 208 Ca 0.04 -3.02 -0.23 0.00 -1.81 0.00 0.00 57.70 52.68 1pjk n MET 208 Cb 0.41 -2.23 0.14 0.00 -0.71 0.00 0.00 33.22 30.82 1pjk n MET 208 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1pjk n TYR 209 N 0.23 -3.37 -2.84 2.03 0.18 -1.26 -4.63 117.16 107.49 1pjk n TYR 209 Ca 0.52 -1.37 0.00 0.00 1.88 0.00 0.00 57.90 58.93 1pjk n TYR 209 Cb 0.38 -0.75 0.00 0.00 -0.38 0.00 0.00 39.34 38.59 1pjk n TYR 209 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1pjk n ASP 210 N -3.24 0.00 -0.38 9.48 3.85 -1.26 -4.97 116.55 120.03 1pjk n ASP 210 Ca 0.15 -0.53 0.32 0.00 -0.71 0.00 0.00 54.79 54.02 1pjk n ASP 210 Cb 0.52 0.00 0.59 0.00 -1.35 0.00 0.00 41.12 40.88 1pjk n ASP 210 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1pjk h TYR 211 N 0.53 0.71 0.00 2.11 -1.99 -1.94 -1.29 116.97 115.10 1pjk h TYR 211 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pjk h TYR 211 Cb 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1pjk h TYR 211 CO 0.00 -0.28 0.00 0.66 -0.00 0.00 0.00 178.16 178.54 1pjk h SER 212 N 0.12 0.00 -0.50 3.88 4.64 -1.95 -0.98 113.55 118.76 1pjk h SER 212 Ca 0.81 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 62.18 1pjk h SER 212 Cb 2.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.30 1pjk h SER 212 CO -0.57 0.00 0.22 0.25 -0.87 0.00 0.00 176.83 175.86 1pjk h LEU 213 N 0.00 0.29 -1.76 5.97 5.85 -1.60 -1.73 115.31 122.34 1pjk h LEU 213 Ca 0.00 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1pjk h LEU 213 Cb 0.06 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1pjk h LEU 213 CO 0.00 0.20 0.37 0.44 -0.34 0.00 0.00 178.44 179.12 1pjk h ASP 214 N 0.44 0.24 0.19 1.25 3.32 -1.39 -2.21 116.42 118.25 1pjk h ASP 214 Ca 0.23 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 1pjk h ASP 214 Cb 0.18 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1pjk h ASP 214 CO -0.19 0.14 -0.61 0.24 -1.72 0.00 0.00 179.24 177.10 1pjk h MET 215 N 0.26 0.42 -0.49 3.56 2.86 -1.43 -1.48 114.93 118.64 1pjk h MET 215 Ca 0.26 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1pjk h MET 215 Cb 0.65 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1pjk h MET 215 CO -0.05 0.90 0.23 2.35 1.06 0.00 0.00 176.91 181.40 1pjk h TRP 216 N 0.31 0.71 -0.69 -0.22 2.91 -1.10 -1.25 115.95 116.61 1pjk h TRP 216 Ca -0.01 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 1pjk h TRP 216 Cb 1.15 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 1pjk h TRP 216 CO 0.04 0.56 0.14 0.77 -1.03 0.00 0.00 178.44 178.92 1pjk h SER 217 N 0.64 1.08 -0.46 2.65 0.02 -1.42 -1.64 113.55 114.41 1pjk h SER 217 Ca 0.17 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1pjk h SER 217 Cb 0.13 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1pjk h SER 217 CO -0.02 1.05 0.17 0.25 -1.14 0.00 0.00 176.83 177.14 1pjk h LEU 218 N 1.06 0.70 -0.99 5.07 5.85 -1.04 -1.59 115.31 124.36 1pjk h LEU 218 Ca 0.21 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1pjk h LEU 218 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pjk h LEU 218 CO 0.01 0.66 0.12 1.23 -0.34 0.00 0.00 178.44 180.12 1pjk h GLY 219 N 0.91 0.92 0.98 3.75 0.00 -0.67 -1.71 103.07 107.23 1pjk h GLY 219 Ca 0.17 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1pjk h GLY 219 CO -0.01 0.50 0.05 0.00 0.00 0.00 0.00 176.54 177.09 1pjk h MET 221 N 0.65 0.94 -0.31 0.00 2.07 -1.06 -2.61 114.93 114.61 1pjk h MET 221 Ca 0.14 -0.06 -0.18 0.00 -2.07 0.00 0.00 59.70 57.53 1pjk h MET 221 Cb 0.43 -0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1pjk h MET 221 CO 0.01 0.62 -0.51 1.25 1.07 0.00 0.00 176.91 179.35 1pjk h LEU 222 N 0.96 0.98 -0.82 1.22 5.85 -1.18 -2.49 115.31 119.85 1pjk h LEU 222 Ca 0.30 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1pjk h LEU 222 Cb -0.01 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1pjk h LEU 222 CO -0.10 1.31 0.52 0.00 -0.34 0.00 0.00 178.44 179.83 1pjk h ALA 223 N 0.71 1.07 -0.04 1.25 0.00 -1.14 -1.71 119.26 119.40 1pjk h ALA 223 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1pjk h ALA 223 Cb 1.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1pjk h ALA 223 CO 0.12 0.35 -0.59 0.66 0.00 0.00 0.00 179.25 179.78 1pjk h SER 224 N 1.02 0.17 -0.05 0.00 4.64 -1.35 -1.96 113.55 116.01 1pjk h SER 224 Ca 0.33 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1pjk h SER 224 Cb 0.01 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1pjk h SER 224 CO -0.11 0.72 -0.17 0.24 -0.87 0.00 0.00 176.83 176.64 1pjk h MET 225 N 0.11 0.20 0.06 4.77 2.07 -0.95 -0.84 114.93 120.35 1pjk h MET 225 Ca -0.01 -0.15 -0.24 0.00 -2.07 0.00 0.00 59.70 57.23 1pjk h MET 225 Cb 1.08 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.82 1pjk h MET 225 CO 0.09 0.78 -1.10 -0.84 1.07 0.00 0.00 176.91 176.91 1pjk h ILE 226 N -0.34 1.57 -0.01 -1.22 3.07 -1.40 -3.22 117.51 115.97 1pjk h ILE 226 Ca -0.01 -3.11 0.00 0.00 1.55 0.00 0.00 64.86 63.29 1pjk h ILE 226 Cb 0.81 2.83 0.00 0.00 -0.27 0.00 0.00 36.82 40.18 1pjk h ILE 226 CO 0.04 0.90 -0.33 0.49 -1.05 0.00 0.00 178.15 178.20 1pjk n PHE 227 N -3.49 0.00 -3.86 0.16 3.72 -0.74 -4.54 117.46 108.71 1pjk n PHE 227 Ca -0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 1pjk n PHE 227 Cb 0.96 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 39.36 1pjk n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pjk n ARG 228 N -0.87 -4.67 -3.97 -1.08 5.12 -0.36 -4.87 116.66 105.97 1pjk n ARG 228 Ca 0.10 0.55 -0.30 0.00 -1.93 0.00 0.00 57.85 56.27 1pjk n ARG 228 Cb 0.35 -5.15 -0.16 0.00 -1.16 0.00 0.00 32.46 26.34 1pjk n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1pjk s LYS 229 N -6.37 1.80 -0.23 5.56 2.20 -0.99 -5.04 119.74 116.67 1pjk s LYS 229 Ca 0.27 -0.97 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1pjk s LYS 229 Cb -0.14 -2.55 0.04 0.00 -1.51 0.00 0.00 37.83 33.68 1pjk s LYS 229 CO 0.84 -0.54 -0.15 -2.00 -0.36 0.00 0.00 175.35 173.15 1pjk s GLU 230 N 1.37 2.58 0.49 4.03 -6.30 -1.26 -2.11 118.70 117.50 1pjk s GLU 230 Ca -0.05 -1.11 -0.11 0.00 -2.50 0.00 0.00 54.97 51.20 1pjk s GLU 230 Cb -0.18 -2.76 -0.06 0.00 0.00 0.00 0.00 34.13 31.13 1pjk s GLU 230 CO -0.07 -0.41 0.87 -1.25 0.02 0.00 0.00 175.26 174.43 1pjk s PRO 231 N 1.19 3.74 0.02 4.30 0.04 -1.26 -5.09 135.00 137.94 1pjk s PRO 231 Ca -0.03 0.59 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 1pjk s PRO 231 Cb -0.17 -2.27 -0.17 0.00 0.04 0.00 0.00 34.50 31.93 1pjk s PRO 231 CO -0.08 -0.22 1.40 0.35 0.04 0.00 0.00 177.00 178.49 1pjk h PHE 232 N 0.69 0.11 -3.09 0.56 3.57 -1.70 -3.34 116.94 113.74 1pjk h PHE 232 Ca -0.46 -0.02 -0.75 0.00 3.53 0.00 0.00 57.97 60.27 1pjk h PHE 232 Cb 1.19 -0.03 -0.23 0.00 2.79 0.00 0.00 35.95 39.67 1pjk h PHE 232 CO 0.62 0.43 -0.18 -0.06 -2.23 0.00 0.00 178.31 176.89 1pjk s PHE 233 N -4.74 3.21 -1.08 0.41 0.08 -1.26 -5.03 117.98 109.57 1pjk s PHE 233 Ca -0.15 -1.19 -0.11 0.00 0.12 0.00 0.00 56.93 55.61 1pjk s PHE 233 Cb 0.04 -3.75 0.26 0.00 -0.57 0.00 0.00 43.02 38.99 1pjk s PHE 233 CO 0.69 -1.03 1.10 -1.58 -0.10 0.00 0.00 175.22 174.30 1pjk s HIS 234 N 1.78 4.09 0.15 0.36 2.46 -1.26 -4.66 115.29 118.22 1pjk s HIS 234 Ca 0.05 -2.51 -0.12 0.00 0.47 0.00 0.00 55.06 52.95 1pjk s HIS 234 Cb -0.28 -3.90 -0.07 0.00 -0.13 0.00 0.00 32.58 28.20 1pjk s HIS 234 CO 0.04 -1.02 0.52 0.20 -2.47 0.00 0.00 174.74 172.01 1pjk s GLY 235 N 1.66 2.40 0.14 1.59 0.00 -1.26 -4.99 107.32 106.86 1pjk s GLY 235 Ca 0.30 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1pjk s GLY 235 CO -0.07 0.02 1.32 0.45 0.00 0.00 0.00 173.10 174.83 1pjk h HIS 236 N 3.39 0.16 -2.99 1.90 3.86 -1.97 -3.46 115.15 116.05 1pjk h HIS 236 Ca -0.48 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.51 1pjk h HIS 236 Cb 1.19 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.62 1pjk h HIS 236 CO 0.65 0.99 -0.02 -0.40 0.86 0.00 0.00 177.93 180.01 1pjk n ASP 237 N -3.52 -0.90 0.21 2.45 5.68 -1.26 -5.02 116.55 114.19 1pjk n ASP 237 Ca -0.02 -2.03 0.06 0.00 -0.50 0.00 0.00 54.79 52.30 1pjk n ASP 237 Cb 0.88 1.62 0.47 0.00 -1.14 0.00 0.00 41.12 42.94 1pjk n ASP 237 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1pjk h ASN 238 N 1.11 0.00 -0.02 -1.12 2.35 -1.97 -1.38 115.58 114.56 1pjk h ASN 238 Ca -0.16 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 1pjk h ASN 238 Cb 0.68 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1pjk h ASN 238 CO 0.22 0.29 -0.37 1.88 -1.65 0.00 0.00 177.43 177.80 1pjk h TYR 239 N 0.00 0.40 0.00 1.19 0.99 -1.97 -3.20 116.97 114.39 1pjk h TYR 239 Ca -0.00 -0.21 -0.02 0.00 2.00 0.00 0.00 58.73 60.50 1pjk h TYR 239 Cb 0.58 -0.05 -0.00 0.00 1.00 0.00 0.00 36.73 38.25 1pjk h TYR 239 CO 0.00 0.99 -0.10 0.22 -0.00 0.00 0.00 178.16 179.28 1pjk h ASP 240 N -0.30 0.00 -0.57 3.88 3.58 -1.91 -2.91 116.42 118.20 1pjk h ASP 240 Ca -0.04 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1pjk h ASP 240 Cb 1.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1pjk h ASP 240 CO 0.07 0.10 -0.05 -0.61 -2.88 0.00 0.00 179.24 175.87 1pjk h GLN 241 N 0.00 1.03 0.00 0.28 5.75 -1.25 -1.78 115.11 119.14 1pjk h GLN 241 Ca -0.00 -0.35 -0.07 0.00 -0.15 0.00 0.00 58.65 58.08 1pjk h GLN 241 Cb 0.43 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1pjk h GLN 241 CO 0.01 1.04 -0.32 1.25 -2.65 0.00 0.00 178.83 178.17 1pjk h LEU 242 N 0.92 0.00 -0.30 -2.39 5.85 -1.54 -2.80 115.31 115.04 1pjk h LEU 242 Ca 0.15 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 1pjk h LEU 242 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1pjk h LEU 242 CO 0.04 0.32 -0.48 0.58 -0.34 0.00 0.00 178.44 178.56 1pjk h VAL 243 N 0.00 1.28 -0.67 1.05 2.07 -1.46 -2.40 116.25 116.12 1pjk h VAL 243 Ca -0.00 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 1pjk h VAL 243 Cb 0.64 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1pjk h VAL 243 CO 0.04 0.54 0.12 0.03 0.02 0.00 0.00 177.57 178.32 1pjk h ARG 244 N 0.64 1.10 -0.54 1.57 2.47 -1.16 0.51 114.38 118.97 1pjk h ARG 244 Ca 0.03 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1pjk h ARG 244 Cb 1.08 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 1pjk h ARG 244 CO 0.11 1.00 0.24 0.82 0.56 0.00 0.00 179.97 182.70 1pjk h ILE 245 N 1.03 1.21 0.00 2.04 2.04 -1.53 -2.93 117.51 119.37 1pjk h ILE 245 Ca 0.21 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1pjk h ILE 245 Cb 0.43 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1pjk h ILE 245 CO 0.01 0.24 -0.23 0.00 0.00 0.00 0.00 178.15 178.17 1pjk h ALA 246 N 1.08 1.02 0.00 1.87 0.00 -0.89 0.22 119.26 122.57 1pjk h ALA 246 Ca 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1pjk h ALA 246 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pjk h ALA 246 CO -0.02 0.29 -0.27 0.87 0.00 0.00 0.00 179.25 180.12 1pjk h LYS 247 N 0.00 0.00 0.01 0.00 1.57 -0.72 -0.53 116.57 116.90 1pjk h LYS 247 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1pjk h LYS 247 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1pjk h LYS 247 CO 0.03 0.27 -1.79 0.28 -0.57 0.00 0.00 179.45 177.67 1pjk n VAL 248 N -3.78 1.55 0.15 0.50 0.31 -0.69 -4.62 118.33 111.76 1pjk n VAL 248 Ca -0.01 -0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1pjk n VAL 248 Cb 0.37 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1pjk n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pjk n LEU 249 N -4.24 0.61 0.00 7.52 4.77 0.69 -1.21 117.00 125.14 1pjk n LEU 249 Ca -0.40 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1pjk n LEU 249 Cb 0.79 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1pjk n LEU 249 CO 0.16 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1pjk n GLY 250 N 1.23 0.16 0.09 -0.72 0.00 -0.21 -4.25 105.19 101.49 1pjk n GLY 250 Ca -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1pjk n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pjk n THR 251 N 0.33 0.53 -0.17 2.61 -2.24 -0.89 -3.52 114.28 110.93 1pjk n THR 251 Ca 0.00 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1pjk n THR 251 Cb 0.00 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1pjk n THR 251 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1pjk h GLU 252 N 0.00 0.77 0.00 -0.78 5.08 -1.89 -1.04 114.58 116.72 1pjk h GLU 252 Ca -0.01 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1pjk h GLU 252 Cb 1.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1pjk h GLU 252 CO 0.00 0.74 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.12 1pjk h ASP 253 N 0.66 0.00 -0.33 1.42 3.32 -1.85 -2.25 116.42 117.40 1pjk h ASP 253 Ca 0.15 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 1pjk h ASP 253 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1pjk h ASP 253 CO -0.00 0.19 -0.48 0.25 -1.72 0.00 0.00 179.24 177.48 1pjk h LEU 254 N 0.00 0.98 -0.31 1.55 5.85 -1.53 -2.40 115.31 119.45 1pjk h LEU 254 Ca -0.00 -0.51 -0.20 0.00 0.84 0.00 0.00 57.88 58.01 1pjk h LEU 254 Cb 0.87 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1pjk h LEU 254 CO 0.03 1.30 -0.77 1.88 -0.34 0.00 0.00 178.44 180.54 1pjk h TYR 255 N 0.70 0.69 -0.96 1.25 0.05 -1.01 -2.76 116.97 114.93 1pjk h TYR 255 Ca 0.03 -0.31 0.01 0.00 0.05 0.00 0.00 58.73 58.51 1pjk h TYR 255 Cb 1.08 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.67 1pjk h TYR 255 CO 0.07 1.10 0.63 -0.44 -1.05 0.00 0.00 178.16 178.47 1pjk h ASP 256 N 0.34 1.09 0.27 3.88 3.45 -1.45 -1.34 116.42 122.66 1pjk h ASP 256 Ca -0.04 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 1pjk h ASP 256 Cb 1.36 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1pjk h ASP 256 CO 0.14 0.78 -0.13 0.22 -1.57 0.00 0.00 179.24 178.68 1pjk h TYR 257 N 1.28 -0.34 0.00 4.55 3.20 -1.28 -1.95 116.97 122.43 1pjk h TYR 257 Ca 0.36 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1pjk h TYR 257 Cb -0.12 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1pjk h TYR 257 CO -0.00 -0.18 -0.16 -0.84 -1.64 0.00 0.00 178.16 175.34 1pjk h ILE 258 N -0.41 0.33 -0.07 1.81 3.07 -1.42 -2.83 117.51 117.98 1pjk h ILE 258 Ca -0.04 -1.14 -0.23 0.00 1.55 0.00 0.00 64.86 65.00 1pjk h ILE 258 Cb 0.31 1.89 0.01 0.00 -0.27 0.00 0.00 36.82 38.76 1pjk h ILE 258 CO 0.06 0.16 -0.89 0.44 -1.05 0.00 0.00 178.15 176.87 1pjk h ASP 259 N 0.00 0.82 -0.61 2.16 5.19 -1.17 0.27 116.42 123.09 1pjk h ASP 259 Ca -0.00 -0.60 0.02 0.00 -0.62 0.00 0.00 57.03 55.83 1pjk h ASP 259 Cb 0.87 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 1pjk h ASP 259 CO 0.02 1.39 0.40 0.50 -3.12 0.00 0.00 179.24 178.43 1pjk h LYS 260 N 0.42 0.74 -0.55 3.56 3.64 -1.11 -1.88 116.57 121.39 1pjk h LYS 260 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pjk h LYS 260 Cb 1.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1pjk h LYS 260 CO 0.17 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 1pjk n TYR 261 N -4.46 1.37 -4.24 1.91 4.01 -1.13 -4.86 117.16 109.76 1pjk n TYR 261 Ca 0.07 -0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 56.79 1pjk n TYR 261 Cb 0.09 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 1pjk n TYR 261 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pjk n ASN 262 N 0.76 -2.96 -4.77 7.72 3.02 -0.71 -1.17 115.26 117.15 1pjk n ASN 262 Ca 0.24 -1.04 -0.39 0.00 -0.03 0.00 0.00 54.58 53.37 1pjk n ASN 262 Cb 0.88 -2.65 -0.06 0.00 -0.61 0.00 0.00 39.78 37.34 1pjk n ASN 262 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pjk s ILE 263 N -3.34 4.93 -0.13 2.41 1.01 0.04 -3.86 121.20 122.27 1pjk s ILE 263 Ca 0.70 1.18 -0.08 0.00 0.00 0.00 0.00 60.65 62.46 1pjk s ILE 263 Cb -0.39 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1pjk s ILE 263 CO 0.94 0.43 0.14 -1.83 0.00 0.00 0.00 174.94 174.62 1pjk s GLU 264 N -0.25 3.60 0.41 2.79 -1.05 -1.26 -4.58 118.70 118.35 1pjk s GLU 264 Ca 0.30 -0.14 -0.24 0.00 -0.15 0.00 0.00 54.97 54.74 1pjk s GLU 264 Cb -0.18 -3.24 -0.09 0.00 -0.44 0.00 0.00 34.13 30.19 1pjk s GLU 264 CO 0.16 0.68 1.06 -0.51 0.95 0.00 0.00 175.26 177.60 1pjk s LEU 265 N -0.75 4.12 -0.25 1.83 1.43 -1.26 -4.97 118.68 118.82 1pjk s LEU 265 Ca 0.14 2.05 -0.41 0.00 -1.03 0.00 0.00 54.13 54.88 1pjk s LEU 265 Cb -0.12 -4.20 -0.17 0.00 0.03 0.00 0.00 46.19 41.73 1pjk s LEU 265 CO 0.03 -0.54 1.61 -0.67 0.23 0.00 0.00 176.35 177.01 1pjk n ASP 266 N -0.14 1.88 -0.45 2.29 -0.08 -1.26 -4.85 116.55 113.94 1pjk n ASP 266 Ca 0.05 1.11 0.37 0.00 -1.51 0.00 0.00 54.79 54.82 1pjk n ASP 266 Cb 0.50 -1.08 0.67 0.00 2.34 0.00 0.00 41.12 43.54 1pjk n ASP 266 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pjk h PRO 267 N 6.07 0.10 -0.09 -0.67 0.11 -2.05 -1.45 132.00 134.03 1pjk h PRO 267 Ca -0.46 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1pjk h PRO 267 Cb 1.34 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1pjk h PRO 267 CO 0.92 0.07 0.30 -0.09 -0.21 0.00 0.00 178.00 178.98 1pjk h ARG 268 N 0.10 0.00 -0.02 1.05 9.65 -2.03 -1.29 114.38 121.85 1pjk h ARG 268 Ca 0.78 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.55 1pjk h ARG 268 Cb 2.57 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 31.14 1pjk h ARG 268 CO -0.30 0.00 -0.49 0.74 2.80 0.00 0.00 179.97 182.73 1pjk h PHE 269 N 0.00 0.05 -0.43 2.20 -1.00 -1.63 -3.06 116.94 113.07 1pjk h PHE 269 Ca 0.04 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.93 1pjk h PHE 269 Cb 0.64 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 1pjk h PHE 269 CO 0.00 0.52 0.64 -0.91 -1.61 0.00 0.00 178.31 176.95 1pjk h ASN 270 N 0.03 0.00 -0.26 2.17 -0.26 -1.44 -1.47 115.58 114.36 1pjk h ASN 270 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1pjk h ASN 270 Cb 0.87 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.13 1pjk h ASN 270 CO 0.07 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.91 1pjk n ASP 271 N -3.34 2.66 0.00 5.81 9.92 -1.16 -4.67 116.55 125.77 1pjk n ASP 271 Ca 0.08 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.39 1pjk n ASP 271 Cb 0.80 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1pjk n ASP 271 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1pjk n ILE 272 N 0.33 0.00 0.12 0.53 -5.35 -0.89 -4.95 119.36 109.14 1pjk n ILE 272 Ca 0.09 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.33 1pjk n ILE 272 Cb 0.38 0.63 -0.15 0.00 -1.74 0.00 0.00 39.64 38.75 1pjk n ILE 272 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1pjk h LEU 273 N 0.00 0.74 0.00 7.28 5.85 -1.56 -3.49 115.31 124.13 1pjk h LEU 273 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1pjk h LEU 273 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1pjk h LEU 273 CO 0.00 1.72 0.00 0.61 -0.34 0.00 0.00 178.44 180.43 1pjk n GLY 274 N 1.76 -0.71 3.09 3.75 0.00 -1.26 -4.77 105.19 107.05 1pjk n GLY 274 Ca -0.19 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1pjk n GLY 274 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pjk s ARG 275 N 0.00 2.25 -0.04 1.61 3.03 -1.26 -4.96 118.95 119.58 1pjk s ARG 275 Ca 0.00 -0.60 0.02 0.00 2.03 0.00 0.00 55.73 57.18 1pjk s ARG 275 Cb 0.00 -1.80 0.01 0.00 -1.03 0.00 0.00 34.95 32.14 1pjk s ARG 275 CO 0.00 0.06 -0.07 -1.01 -1.13 0.00 0.00 175.30 173.15 1pjk s HIS 276 N 0.63 0.91 0.45 5.89 3.76 -1.26 -5.00 115.29 120.66 1pjk s HIS 276 Ca -0.14 -0.26 -0.23 0.00 -0.15 0.00 0.00 55.06 54.27 1pjk s HIS 276 Cb -0.16 -0.72 -0.08 0.00 1.11 0.00 0.00 32.58 32.73 1pjk s HIS 276 CO 0.04 -0.17 1.17 -1.54 -0.85 0.00 0.00 174.74 173.39 1pjk s SER 277 N 0.63 6.22 0.25 1.40 1.04 -1.26 -2.10 113.70 119.87 1pjk s SER 277 Ca -0.10 2.33 -0.30 0.00 0.48 0.00 0.00 55.95 58.36 1pjk s SER 277 Cb -0.13 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.28 1pjk s SER 277 CO 0.01 -0.89 1.53 -0.60 0.98 0.00 0.00 173.24 174.28 1pjk s ARG 278 N -2.63 4.20 0.16 4.02 3.52 -1.26 -4.22 118.95 122.74 1pjk s ARG 278 Ca 0.62 2.43 -0.01 0.00 -0.13 0.00 0.00 55.73 58.65 1pjk s ARG 278 Cb -0.29 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1pjk s ARG 278 CO 0.36 -0.55 0.34 0.15 -0.81 0.00 0.00 175.30 174.79 1pjk s LYS 279 N -0.06 3.51 0.15 5.12 -0.14 -0.35 -4.96 119.74 123.01 1pjk s LYS 279 Ca 0.64 -0.36 -0.21 0.00 -1.36 0.00 0.00 55.97 54.67 1pjk s LYS 279 Cb -0.45 -2.90 -0.08 0.00 -1.68 0.00 0.00 37.83 32.73 1pjk s LYS 279 CO 0.42 0.47 0.67 1.03 -0.76 0.00 0.00 175.35 177.18 1pjk s ARG 280 N -3.06 4.32 0.51 1.68 0.52 -1.26 -4.91 118.95 116.74 1pjk s ARG 280 Ca 0.38 0.89 0.34 0.00 -0.52 0.00 0.00 55.73 56.82 1pjk s ARG 280 Cb -0.12 -3.13 1.80 0.00 0.52 0.00 0.00 34.95 34.02 1pjk s ARG 280 CO 0.28 0.54 2.04 -1.49 0.02 0.00 0.00 175.30 176.70 1pjk h TRP 281 N 4.11 0.00 0.00 -0.53 4.06 -1.98 -2.58 115.95 119.03 1pjk h TRP 281 Ca -0.48 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.44 1pjk h TRP 281 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1pjk h TRP 281 CO 0.65 0.00 -0.12 0.93 -3.56 0.00 0.00 178.44 176.34 1pjk h GLU 282 N 0.00 0.00 -0.16 0.49 3.07 -1.97 -2.68 114.58 113.32 1pjk h GLU 282 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1pjk h GLU 282 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1pjk h GLU 282 CO 0.00 0.12 -0.14 -0.09 -1.40 0.00 0.00 179.01 177.50 1pjk h ARG 283 N 0.00 0.26 -0.00 2.33 2.43 -1.87 -2.80 114.38 114.73 1pjk h ARG 283 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1pjk h ARG 283 Cb 0.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1pjk h ARG 283 CO 0.02 0.41 -0.00 1.19 -1.51 0.00 0.00 179.97 180.08 1pjk n PHE 284 N -4.26 0.00 -3.46 2.20 3.72 -1.01 -4.81 117.46 109.84 1pjk n PHE 284 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 1pjk n PHE 284 Cb 0.28 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1pjk n PHE 284 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pjk s VAL 285 N -2.01 5.23 0.29 -4.37 1.01 -1.06 -4.89 120.40 114.60 1pjk s VAL 285 Ca 0.46 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1pjk s VAL 285 Cb 0.22 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1pjk s VAL 285 CO 0.37 0.40 0.35 0.00 0.00 0.00 0.00 175.10 176.22 1pjk n HIS 286 N 3.29 -1.08 -0.11 5.22 1.44 -1.26 -5.04 115.22 117.68 1pjk n HIS 286 Ca -0.11 -2.15 0.25 0.00 -2.01 0.00 0.00 57.72 53.70 1pjk n HIS 286 Cb 0.52 0.39 0.70 0.00 0.12 0.00 0.00 29.99 31.72 1pjk n HIS 286 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1pjk h SER 287 N 1.71 0.03 0.64 4.39 4.64 -2.01 -2.48 113.55 120.47 1pjk h SER 287 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1pjk h SER 287 Cb 1.02 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1pjk h SER 287 CO 0.31 0.01 -0.58 1.21 -0.87 0.00 0.00 176.83 176.90 1pjk n GLU 288 N -4.33 0.13 0.00 4.77 4.07 -1.26 -4.24 120.64 119.78 1pjk n GLU 288 Ca 0.15 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1pjk n GLU 288 Cb 0.80 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1pjk n GLU 288 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1pjk n ASN 289 N -1.77 0.87 0.22 4.31 0.23 -1.03 -4.87 115.26 113.22 1pjk n ASN 289 Ca 0.04 -1.28 0.08 0.00 -0.53 0.00 0.00 54.58 52.90 1pjk n ASN 289 Cb 0.38 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.58 1pjk n ASN 289 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1pjk h GLN 290 N 0.00 0.00 0.00 -3.83 3.07 -1.63 -1.83 115.11 110.89 1pjk h GLN 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pjk h GLN 290 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1pjk h GLN 290 CO 0.00 0.25 0.00 1.12 0.09 0.00 0.00 178.83 180.29 1pjk h HIS 291 N 0.00 0.00 0.00 0.06 2.07 -1.88 -2.95 115.15 112.45 1pjk h HIS 291 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pjk h HIS 291 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 1pjk h HIS 291 CO 0.00 0.00 -1.19 1.28 -3.07 0.00 0.00 177.93 174.95 1pjk n LEU 292 N -2.89 0.60 -4.90 6.12 4.77 -0.69 -4.68 117.00 115.33 1pjk n LEU 292 Ca -0.01 -0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 1pjk n LEU 292 Cb 0.19 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1pjk n LEU 292 CO 0.22 0.09 -0.10 -0.69 -1.33 0.00 0.00 177.39 175.58 1pjk s VAL 293 N -3.20 5.35 0.15 4.08 1.01 -1.12 -4.87 120.40 121.80 1pjk s VAL 293 Ca 0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1pjk s VAL 293 Cb 0.15 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1pjk s VAL 293 CO 0.84 0.28 0.51 -0.94 0.00 0.00 0.00 175.10 175.79 1pjk s SER 294 N -1.99 -0.42 0.22 3.32 1.04 -1.26 -4.98 113.70 109.63 1pjk s SER 294 Ca 0.30 -0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.48 1pjk s SER 294 Cb -0.13 0.54 0.31 0.00 0.10 0.00 0.00 66.02 66.84 1pjk s SER 294 CO 0.20 -0.92 1.66 -0.65 0.98 0.00 0.00 173.24 174.51 1pjk h PRO 295 N 2.16 0.12 0.00 4.02 0.11 -2.00 -1.73 132.00 134.68 1pjk h PRO 295 Ca -0.34 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 1pjk h PRO 295 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1pjk h PRO 295 CO 0.42 0.08 -0.36 1.05 -0.21 0.00 0.00 178.00 178.98 1pjk h GLU 296 N 0.12 0.00 -0.51 1.05 9.09 -1.96 -0.94 114.58 121.43 1pjk h GLU 296 Ca 0.33 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.66 1pjk h GLU 296 Cb 0.54 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 1pjk h GLU 296 CO -0.54 0.36 -0.01 0.00 0.05 0.00 0.00 179.01 178.87 1pjk h ALA 297 N 1.64 0.68 -0.20 1.06 0.00 -1.72 -2.40 119.26 118.33 1pjk h ALA 297 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1pjk h ALA 297 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pjk h ALA 297 CO 0.05 0.51 -0.52 -0.07 0.00 0.00 0.00 179.25 179.21 1pjk h LEU 298 N 0.77 0.62 -0.02 0.00 3.38 -0.90 -1.33 115.31 117.84 1pjk h LEU 298 Ca 0.14 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pjk h LEU 298 Cb 0.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1pjk h LEU 298 CO 0.03 1.03 0.01 -0.78 0.09 0.00 0.00 178.44 178.82 1pjk h ASP 299 N 0.44 0.02 -0.05 -0.43 3.58 -1.14 -0.07 116.42 118.77 1pjk h ASP 299 Ca 0.01 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.36 1pjk h ASP 299 Cb 1.06 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1pjk h ASP 299 CO 0.10 0.15 -0.08 0.15 -2.88 0.00 0.00 179.24 176.67 1pjk h PHE 300 N -0.10 -0.21 -0.54 0.28 3.57 -1.46 -2.49 116.94 116.00 1pjk h PHE 300 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1pjk h PHE 300 Cb 0.13 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1pjk h PHE 300 CO -0.03 -0.13 0.31 1.25 -2.23 0.00 0.00 178.31 177.48 1pjk h LEU 301 N -0.12 0.48 -1.53 0.59 5.85 -1.15 -2.04 115.31 117.40 1pjk h LEU 301 Ca 0.05 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.88 1pjk h LEU 301 Cb 0.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1pjk h LEU 301 CO -0.13 0.34 0.44 -0.78 -0.34 0.00 0.00 178.44 177.97 1pjk h ASP 302 N 0.61 0.47 0.63 1.25 3.58 -0.82 -1.46 116.42 120.68 1pjk h ASP 302 Ca 0.23 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1pjk h ASP 302 Cb 0.07 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1pjk h ASP 302 CO -0.12 0.29 -0.22 0.29 -2.88 0.00 0.00 179.24 176.59 1pjk n LYS 303 N -4.48 0.20 -0.07 0.28 4.76 -0.80 -3.90 118.16 114.15 1pjk n LYS 303 Ca 0.11 -0.08 -0.21 0.00 -2.87 0.00 0.00 58.31 55.26 1pjk n LYS 303 Cb 0.34 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.91 1pjk n LYS 303 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1pjk n LEU 304 N -1.33 2.68 -3.89 -0.35 4.77 -0.64 -2.24 117.00 115.99 1pjk n LEU 304 Ca 0.08 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 1pjk n LEU 304 Cb 0.32 -0.99 0.01 0.00 -2.33 0.00 0.00 43.42 40.42 1pjk n LEU 304 CO 0.29 0.83 1.72 0.18 -1.33 0.00 0.00 177.39 179.08 1pjk n LEU 305 N -3.52 6.64 -4.51 2.23 4.77 -0.65 -4.47 117.00 117.49 1pjk n LEU 305 Ca -0.40 -4.83 -0.30 0.00 -0.03 0.00 0.00 56.01 50.45 1pjk n LEU 305 Cb 0.98 -1.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1pjk n LEU 305 CO 0.30 1.50 -0.47 -0.13 -1.33 0.00 0.00 177.39 177.26 1pjk s ARG 306 N -0.66 1.93 -0.01 3.23 3.00 -1.26 -4.93 118.95 120.25 1pjk s ARG 306 Ca 0.37 -1.10 -0.25 0.00 0.00 0.00 0.00 55.73 54.75 1pjk s ARG 306 Cb 0.09 -2.18 -0.19 0.00 0.00 0.00 0.00 34.95 32.67 1pjk s ARG 306 CO 0.03 0.50 1.28 1.88 0.00 0.00 0.00 175.30 179.00 1pjk h TYR 307 N 3.87 -0.07 -2.21 -0.53 0.05 -1.91 -3.41 116.97 112.75 1pjk h TYR 307 Ca -0.49 -0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.71 1pjk h TYR 307 Cb 1.17 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1pjk h TYR 307 CO 0.59 0.34 1.42 0.34 -1.05 0.00 0.00 178.16 179.80 1pjk s ASP 308 N -5.54 5.56 0.59 3.88 -1.08 -1.26 -4.77 116.67 114.06 1pjk s ASP 308 Ca -0.15 1.64 0.30 0.00 -0.52 0.00 0.00 52.55 53.82 1pjk s ASP 308 Cb 0.02 -2.52 1.84 0.00 -1.46 0.00 0.00 42.92 40.80 1pjk s ASP 308 CO 0.64 -1.92 2.26 1.12 0.52 0.00 0.00 175.17 177.79 1pjk h HIS 309 N 14.48 0.00 0.00 -5.34 2.07 -1.97 -2.25 115.15 122.14 1pjk h HIS 309 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 1pjk h HIS 309 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1pjk h HIS 309 CO 0.95 0.00 0.00 1.96 -3.07 0.00 0.00 177.93 177.77 1pjk h GLN 310 N 0.00 0.00 -0.16 5.12 4.20 -1.95 -3.22 115.11 119.10 1pjk h GLN 310 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pjk h GLN 310 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1pjk h GLN 310 CO 0.00 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.03 1pjk n SER 311 N -2.79 3.01 -4.81 1.46 3.41 -0.85 -4.97 113.62 108.08 1pjk n SER 311 Ca 0.04 -1.92 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 1pjk n SER 311 Cb 0.44 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1pjk n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pjk s ARG 312 N -1.65 3.59 0.26 4.33 0.52 -1.22 -4.97 118.95 119.80 1pjk s ARG 312 Ca 0.29 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.37 1pjk s ARG 312 Cb 0.19 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.49 1pjk s ARG 312 CO 0.28 -0.58 1.40 -0.51 0.02 0.00 0.00 175.30 175.90 1pjk s LEU 313 N -4.18 4.40 0.90 2.53 1.43 -0.95 -5.02 118.68 117.78 1pjk s LEU 313 Ca 0.63 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 56.24 1pjk s LEU 313 Cb -0.14 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.58 1pjk s LEU 313 CO 0.32 -0.65 1.12 0.42 0.23 0.00 0.00 176.35 177.79 1pjk s THR 314 N -0.19 2.23 0.22 5.49 -4.23 -1.26 -4.89 115.64 113.00 1pjk s THR 314 Ca 0.57 0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1pjk s THR 314 Cb -0.41 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 70.79 1pjk s THR 314 CO 0.44 -0.10 1.76 0.00 -0.54 0.00 0.00 174.62 176.18 1pjk h ALA 315 N -1.47 1.03 -0.12 3.99 0.00 -1.94 -1.96 119.26 118.79 1pjk h ALA 315 Ca -0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1pjk h ALA 315 Cb 1.32 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pjk h ALA 315 CO 0.61 0.65 -0.13 -0.09 0.00 0.00 0.00 179.25 180.29 1pjk h ARG 316 N 1.07 0.29 -0.81 0.00 9.65 -1.93 -2.33 114.38 120.31 1pjk h ARG 316 Ca 0.23 -0.16 0.13 0.00 -1.10 0.00 0.00 59.98 59.08 1pjk h ARG 316 Cb 0.31 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 1pjk h ARG 316 CO -0.01 0.71 0.53 0.93 2.80 0.00 0.00 179.97 184.93 1pjk h GLU 317 N -0.11 0.60 -0.42 0.20 5.08 -1.94 -2.32 114.58 115.68 1pjk h GLU 317 Ca 0.02 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1pjk h GLU 317 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1pjk h GLU 317 CO 0.03 0.40 -0.28 0.00 -1.00 0.00 0.00 179.01 178.15 1pjk h ALA 318 N 1.62 0.70 0.00 3.43 0.00 -1.09 -2.57 119.26 121.34 1pjk h ALA 318 Ca 0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pjk h ALA 318 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pjk h ALA 318 CO -0.16 0.67 -0.05 0.52 0.00 0.00 0.00 179.25 180.23 1pjk h MET 319 N 0.77 0.00 -0.09 0.00 2.86 -0.87 -2.08 114.93 115.52 1pjk h MET 319 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1pjk h MET 319 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1pjk h MET 319 CO 0.08 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.49 1pjk n GLU 320 N -3.38 1.40 -2.71 1.72 -0.58 -0.97 -4.87 120.64 111.25 1pjk n GLU 320 Ca -0.02 -0.60 -0.40 0.00 -0.42 0.00 0.00 57.16 55.72 1pjk n GLU 320 Cb 0.19 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 1pjk n GLU 320 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1pjk s HIS 321 N -1.89 3.93 0.63 -0.32 2.46 -0.79 -4.94 115.29 114.38 1pjk s HIS 321 Ca 0.30 1.89 0.24 0.00 0.47 0.00 0.00 55.06 57.96 1pjk s HIS 321 Cb 0.15 -3.02 1.18 0.00 -0.13 0.00 0.00 32.58 30.76 1pjk s HIS 321 CO 0.24 0.31 1.65 -1.00 -2.47 0.00 0.00 174.74 173.48 1pjk h PRO 322 N 4.14 0.00 -0.94 2.88 0.13 -1.92 -1.03 132.00 135.26 1pjk h PRO 322 Ca -0.45 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.90 1pjk h PRO 322 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1pjk h PRO 322 CO 0.68 0.00 0.62 -0.92 -0.23 0.00 0.00 178.00 178.15 1pjk h TYR 323 N 0.00 0.57 -0.46 1.56 3.20 -1.92 -2.45 116.97 117.46 1pjk h TYR 323 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pjk h TYR 323 Cb 1.39 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1pjk h TYR 323 CO 0.00 0.13 0.00 1.19 -1.64 0.00 0.00 178.16 177.84 1pjk n PHE 324 N -4.53 0.61 0.13 -3.82 3.72 -0.39 -4.37 117.46 108.81 1pjk n PHE 324 Ca 0.21 -0.30 0.01 0.00 -0.05 0.00 0.00 57.45 57.31 1pjk n PHE 324 Cb 0.74 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.61 1pjk n PHE 324 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1pjk h TYR 325 N 3.32 0.19 0.00 1.38 0.05 -1.56 -2.71 116.97 117.64 1pjk h TYR 325 Ca 0.00 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1pjk h TYR 325 Cb 0.75 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1pjk h TYR 325 CO 0.30 0.44 -0.28 0.00 -1.05 0.00 0.00 178.16 177.58 1pjk h THR 326 N 0.16 0.55 -3.53 -2.88 1.03 -1.78 -3.45 112.91 103.01 1pjk h THR 326 Ca 0.02 -1.45 -0.52 0.00 -0.01 0.00 0.00 66.41 64.46 1pjk h THR 326 Cb 0.58 2.01 0.01 0.00 -1.07 0.00 0.00 68.15 69.69 1pjk h THR 326 CO 0.04 0.27 0.53 -0.69 -0.01 0.00 0.00 175.52 175.66 1pjk s VAL 327 N -3.36 3.64 -0.12 0.00 1.01 -1.02 -4.98 120.40 115.57 1pjk s VAL 327 Ca 0.03 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 1pjk s VAL 327 Cb 0.08 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1pjk s VAL 327 CO 0.67 0.24 1.10 -0.69 0.00 0.00 0.00 175.10 176.42 1pjk s VAL 328 N -0.18 4.55 0.00 2.92 1.01 -1.26 -5.03 120.40 122.41 1pjk s VAL 328 Ca 0.51 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.34 1pjk s VAL 328 Cb -0.32 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1pjk s VAL 328 CO 0.37 -0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.71 1pjk n LYS 329 N 5.49 3.64 -1.75 2.72 4.76 -1.26 -5.10 118.16 126.65 1pjk n LYS 329 Ca 0.11 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 1pjk n LYS 329 Cb 0.47 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.68 1pjk n LYS 329 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1pjk n ASP 330 N 0.00 0.67 0.13 4.39 10.43 -1.26 -4.87 116.55 126.04 1pjk n ASP 330 Ca 0.00 -2.02 0.19 0.00 2.57 0.00 0.00 54.79 55.53 1pjk n ASP 330 Cb 0.00 -0.19 0.77 0.00 1.84 0.00 0.00 41.12 43.54 1pjk n ASP 330 CO 0.00 0.00 0.00 -0.61 -1.07 0.00 0.00 177.20 175.52 1pjk h GLN 331 N 1.16 0.00 0.00 -1.24 5.75 -2.05 -3.59 115.11 115.15 1pjk h GLN 331 Ca -0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1pjk h GLN 331 Cb 1.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.22 1pjk h GLN 331 CO 0.04 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.22