#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcr h VAL 18 N 0.00 1.15 0.00 0.52 3.04 -2.12 -2.41 116.25 116.44 1jcr h VAL 18 Ca 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1jcr h VAL 18 Cb 0.00 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1jcr h VAL 18 CO 0.00 0.19 -0.01 -2.67 -1.01 0.00 0.00 177.57 174.07 1jcr n TRP 19 N -4.35 0.84 -2.27 3.17 4.27 -1.26 -4.86 117.44 112.97 1jcr n TRP 19 Ca 0.01 0.24 -0.42 0.00 -3.89 0.00 0.00 57.50 53.44 1jcr n TRP 19 Cb 0.18 -0.89 -0.03 0.00 -1.36 0.00 0.00 31.31 29.21 1jcr n TRP 19 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 1jcr s SER 20 N -4.38 6.88 -0.29 -0.67 0.01 -0.91 -5.01 113.70 109.32 1jcr s SER 20 Ca 0.11 2.01 -0.19 0.00 1.31 0.00 0.00 55.95 59.19 1jcr s SER 20 Cb 0.13 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1jcr s SER 20 CO 0.59 -0.72 0.57 -0.70 0.41 0.00 0.00 173.24 173.39 1jcr s GLU 21 N 2.69 3.92 0.49 12.44 2.56 -1.26 -4.88 118.70 134.66 1jcr s GLU 21 Ca 0.62 0.25 0.28 0.00 0.00 0.00 0.00 54.97 56.12 1jcr s GLU 21 Cb -0.29 -3.71 1.14 0.00 2.00 0.00 0.00 34.13 33.26 1jcr s GLU 21 CO 0.24 -0.50 1.91 -1.00 -0.56 0.00 0.00 175.26 175.35 1jcr h PRO 22 N 8.16 0.00 -5.80 4.30 0.13 -1.97 -3.43 132.00 133.39 1jcr h PRO 22 Ca -0.28 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.25 1jcr h PRO 22 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1jcr h PRO 22 CO 0.77 0.13 0.40 -0.51 -0.23 0.00 0.00 178.00 178.56 1jcr s LEU 23 N -6.62 4.10 0.26 1.56 1.43 -1.26 -4.96 118.68 113.20 1jcr s LEU 23 Ca 0.00 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1jcr s LEU 23 Cb 0.10 -3.06 0.54 0.00 0.03 0.00 0.00 46.19 43.80 1jcr s LEU 23 CO 0.60 -0.69 1.75 0.22 0.23 0.00 0.00 176.35 178.45 1jcr h TYR 24 N 8.35 0.70 0.00 0.29 3.20 -1.95 -1.24 116.97 126.31 1jcr h TYR 24 Ca -0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1jcr h TYR 24 Cb 1.09 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1jcr h TYR 24 CO 0.79 0.13 0.00 0.77 -1.64 0.00 0.00 178.16 178.21 1jcr h SER 25 N 0.56 0.00 0.14 -2.11 0.02 -1.93 -3.07 113.55 107.15 1jcr h SER 25 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1jcr h SER 25 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jcr h SER 25 CO -0.39 0.00 -0.69 0.18 -1.14 0.00 0.00 176.83 174.79 1jcr n LEU 26 N -3.01 1.11 -4.76 5.07 4.77 -0.49 -4.87 117.00 114.83 1jcr n LEU 26 Ca 0.01 -0.41 -0.37 0.00 -0.03 0.00 0.00 56.01 55.20 1jcr n LEU 26 Cb 0.29 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1jcr n LEU 26 CO 0.26 0.24 0.90 -0.13 -1.33 0.00 0.00 177.39 177.34 1jcr s ARG 27 N -2.83 3.38 0.27 3.23 0.52 -1.12 -4.92 118.95 117.49 1jcr s ARG 27 Ca 0.13 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.33 1jcr s ARG 27 Cb 0.17 -2.28 0.57 0.00 0.52 0.00 0.00 34.95 33.93 1jcr s ARG 27 CO 0.73 -0.92 1.78 -1.35 0.02 0.00 0.00 175.30 175.55 1jcr h PRO 28 N 1.64 0.70 0.00 3.54 0.11 -1.93 -0.75 132.00 135.31 1jcr h PRO 28 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1jcr h PRO 28 Cb 1.28 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jcr h PRO 28 CO 0.58 0.46 -0.12 1.05 -0.21 0.00 0.00 178.00 179.76 1jcr h GLU 29 N 0.72 0.00 -0.28 1.05 9.09 -1.95 -2.71 114.58 120.50 1jcr h GLU 29 Ca 0.49 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.98 1jcr h GLU 29 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 1jcr h GLU 29 CO -0.34 0.12 0.23 1.25 0.05 0.00 0.00 179.01 180.32 1jcr h HIS 30 N 0.00 0.00 0.00 2.06 2.76 -1.41 0.57 115.15 119.13 1jcr h HIS 30 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jcr h HIS 30 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1jcr h HIS 30 CO 0.00 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.62 1jcr h ALA 31 N 1.81 1.21 0.00 5.26 0.00 -1.61 -0.73 119.26 125.19 1jcr h ALA 31 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jcr h ALA 31 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jcr h ALA 31 CO -0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1jcr h ARG 32 N 0.00 0.00 0.00 0.00 3.08 -1.09 -2.92 114.38 113.44 1jcr h ARG 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jcr h ARG 32 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jcr h ARG 32 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 1jcr n GLU 33 N -2.99 0.86 -1.85 0.04 -0.58 -0.28 -4.85 120.64 110.98 1jcr n GLU 33 Ca 0.01 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.41 1jcr n GLU 33 Cb 0.29 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 29.78 1jcr n GLU 33 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jcr s ARG 34 N -2.00 2.87 0.29 3.49 1.81 -1.11 -3.90 118.95 120.40 1jcr s ARG 34 Ca 0.35 1.50 -0.30 0.00 -1.72 0.00 0.00 55.73 55.56 1jcr s ARG 34 Cb 0.16 -1.95 -0.12 0.00 -0.45 0.00 0.00 34.95 32.59 1jcr s ARG 34 CO 0.27 -1.21 1.52 -0.11 -0.68 0.00 0.00 175.30 175.09 1jcr n LEU 35 N -2.15 4.06 -4.19 2.53 7.94 -1.26 -4.99 117.00 118.94 1jcr n LEU 35 Ca 0.11 1.16 -0.38 0.00 -1.11 0.00 0.00 56.01 55.79 1jcr n LEU 35 Cb 0.51 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.80 1jcr n LEU 35 CO 0.46 -0.04 -0.16 -1.10 -1.11 0.00 0.00 177.39 175.44 1jcr s GLN 36 N -0.75 2.33 0.00 1.96 -0.21 -1.26 -4.95 119.66 116.78 1jcr s GLN 36 Ca 0.63 -1.60 0.15 0.00 0.02 0.00 0.00 55.36 54.56 1jcr s GLN 36 Cb -0.53 -3.63 0.74 0.00 1.00 0.00 0.00 33.01 30.58 1jcr s GLN 36 CO 0.51 -0.98 1.50 -0.40 -2.12 0.00 0.00 175.29 173.80 1jcr n ASP 37 N 4.75 0.59 -1.68 5.90 5.75 -1.26 -4.90 116.55 125.71 1jcr n ASP 37 Ca -0.07 -1.65 -0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1jcr n ASP 37 Cb 0.42 -0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 1jcr n ASP 37 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jcr n ASP 38 N -0.33 -3.53 -1.64 -1.12 8.00 -1.26 -0.71 116.55 115.96 1jcr n ASP 38 Ca 0.12 0.28 -0.20 0.00 0.71 0.00 0.00 54.79 55.69 1jcr n ASP 38 Cb 0.14 -3.21 -0.08 0.00 -0.02 0.00 0.00 41.12 37.95 1jcr n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jcr n SER 39 N -0.84 -5.48 -4.05 -2.24 7.64 -1.26 -4.93 113.62 102.47 1jcr n SER 39 Ca -0.13 0.44 -0.32 0.00 1.01 0.00 0.00 58.87 59.87 1jcr n SER 39 Cb 0.47 -4.73 -0.14 0.00 -1.01 0.00 0.00 64.21 58.80 1jcr n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jcr s VAL 40 N -2.78 2.44 -0.05 0.44 1.01 0.11 -5.09 120.40 116.48 1jcr s VAL 40 Ca 0.00 -2.18 -0.21 0.00 0.00 0.00 0.00 61.98 59.59 1jcr s VAL 40 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1jcr s VAL 40 CO 0.00 -0.52 0.61 -1.61 0.00 0.00 0.00 175.10 173.58 1jcr s GLU 41 N 0.97 4.37 0.15 2.72 2.02 -1.26 -4.91 118.70 122.77 1jcr s GLU 41 Ca 0.07 0.73 -0.00 0.00 0.02 0.00 0.00 54.97 55.79 1jcr s GLU 41 Cb -0.20 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1jcr s GLU 41 CO -0.07 0.21 0.05 0.95 0.02 0.00 0.00 175.26 176.43 1jcr s THR 42 N 0.35 0.24 0.27 3.63 -4.23 -1.26 -5.03 115.64 109.62 1jcr s THR 42 Ca 0.32 -1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1jcr s THR 42 Cb -0.17 -2.15 0.26 0.00 1.34 0.00 0.00 72.50 71.78 1jcr s THR 42 CO 0.16 -0.39 1.69 0.58 -0.54 0.00 0.00 174.62 176.13 1jcr h VAL 43 N 2.77 0.50 0.00 2.29 2.07 -1.99 -1.19 116.25 120.71 1jcr h VAL 43 Ca -0.36 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1jcr h VAL 43 Cb 1.21 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1jcr h VAL 43 CO 0.59 0.06 -0.06 0.74 0.02 0.00 0.00 177.57 178.92 1jcr h THR 44 N 0.35 0.83 -0.60 2.57 2.02 -1.96 -1.01 112.91 115.12 1jcr h THR 44 Ca 0.49 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.62 1jcr h THR 44 Cb 0.89 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1jcr h THR 44 CO -0.52 0.00 0.17 0.77 0.37 0.00 0.00 175.52 176.31 1jcr h SER 45 N -0.12 0.88 -0.35 4.18 4.64 -1.63 -1.48 113.55 119.68 1jcr h SER 45 Ca 0.02 -0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1jcr h SER 45 Cb 0.15 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1jcr h SER 45 CO -0.06 0.87 0.16 0.40 -0.87 0.00 0.00 176.83 177.33 1jcr h ILE 46 N 0.85 0.97 -0.56 0.95 2.04 -1.08 0.77 117.51 121.46 1jcr h ILE 46 Ca 0.19 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 1jcr h ILE 46 Cb 0.31 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1jcr h ILE 46 CO -0.00 0.06 0.11 -0.33 0.00 0.00 0.00 178.15 177.99 1jcr h GLU 47 N 0.34 0.91 -0.51 2.37 4.39 -0.97 -2.11 114.58 119.01 1jcr h GLU 47 Ca 0.15 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1jcr h GLU 47 Cb 0.07 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1jcr h GLU 47 CO -0.11 0.87 0.24 0.37 -1.16 0.00 0.00 179.01 179.22 1jcr h GLN 48 N 0.81 0.73 -0.65 2.33 5.75 -0.84 -2.73 115.11 120.50 1jcr h GLN 48 Ca 0.17 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1jcr h GLN 48 Cb 0.38 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1jcr h GLN 48 CO 0.01 0.60 0.42 0.00 -2.65 0.00 0.00 178.83 177.21 1jcr h ALA 49 N 1.08 0.83 -0.58 3.38 0.00 -0.68 -1.59 119.26 121.71 1jcr h ALA 49 Ca 0.17 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jcr h ALA 49 Cb 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1jcr h ALA 49 CO -0.02 0.28 0.30 0.87 0.00 0.00 0.00 179.25 180.67 1jcr h LYS 50 N 0.89 0.54 -0.21 0.00 1.57 -1.19 -0.28 116.57 117.90 1jcr h LYS 50 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1jcr h LYS 50 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1jcr h LYS 50 CO -0.05 0.36 0.09 0.28 -0.57 0.00 0.00 179.45 179.56 1jcr h VAL 51 N 0.56 1.15 -0.52 0.50 2.07 -1.15 -1.86 116.25 116.99 1jcr h VAL 51 Ca 0.26 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1jcr h VAL 51 Cb 0.17 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1jcr h VAL 51 CO -0.18 0.14 0.19 -0.33 0.02 0.00 0.00 177.57 177.42 1jcr h GLU 52 N 0.19 0.75 -0.40 1.57 5.08 -0.89 0.34 114.58 121.23 1jcr h GLU 52 Ca 0.07 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1jcr h GLU 52 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jcr h GLU 52 CO -0.01 0.63 -0.04 1.49 -1.00 0.00 0.00 179.01 180.08 1jcr h GLU 53 N 0.74 0.74 -0.67 2.33 4.81 -0.85 0.14 114.58 121.82 1jcr h GLU 53 Ca 0.18 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1jcr h GLU 53 Cb 0.17 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1jcr h GLU 53 CO -0.01 0.85 0.28 -0.22 -0.73 0.00 0.00 179.01 179.18 1jcr h LYS 54 N 0.56 0.99 -0.03 1.92 1.63 -0.64 -2.43 116.57 118.57 1jcr h LYS 54 Ca 0.11 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1jcr h LYS 54 Cb 0.54 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1jcr h LYS 54 CO 0.03 0.82 -0.68 0.82 -3.45 0.00 0.00 179.45 176.99 1jcr h ILE 55 N 0.94 1.44 -0.65 2.00 2.04 -0.77 -2.88 117.51 119.63 1jcr h ILE 55 Ca 0.22 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 1jcr h ILE 55 Cb 0.18 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1jcr h ILE 55 CO -0.02 0.64 0.26 -0.61 0.00 0.00 0.00 178.15 178.42 1jcr h GLN 56 N 0.11 0.96 -0.77 2.37 5.75 -0.40 -0.86 115.11 122.27 1jcr h GLN 56 Ca -0.01 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1jcr h GLN 56 Cb 1.21 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 1jcr h GLN 56 CO 0.10 0.78 0.45 0.93 -2.65 0.00 0.00 178.83 178.45 1jcr h GLU 57 N 0.94 1.06 -0.22 1.69 5.08 -1.23 0.17 114.58 122.07 1jcr h GLU 57 Ca 0.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1jcr h GLU 57 Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jcr h GLU 57 CO -0.02 0.76 0.11 0.28 -1.00 0.00 0.00 179.01 179.13 1jcr h VAL 58 N 1.06 1.13 0.07 3.13 2.07 -1.16 -0.22 116.25 122.33 1jcr h VAL 58 Ca 0.28 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1jcr h VAL 58 Cb -0.02 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jcr h VAL 58 CO -0.05 0.13 -0.05 -0.26 0.02 0.00 0.00 177.57 177.36 1jcr h PHE 59 N 0.22 -0.13 0.00 1.57 0.05 -0.73 -2.76 116.94 115.16 1jcr h PHE 59 Ca 0.07 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.86 1jcr h PHE 59 Cb 0.11 0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.11 1jcr h PHE 59 CO -0.03 -0.08 0.00 0.43 -0.18 0.00 0.00 178.31 178.45 1jcr n SER 60 N -5.16 0.41 -0.34 2.17 7.64 0.57 -3.96 113.62 114.95 1jcr n SER 60 Ca -0.07 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1jcr n SER 60 Cb 0.09 -0.69 0.29 0.00 -1.01 0.00 0.00 64.21 62.89 1jcr n SER 60 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1jcr h SER 61 N 0.00 0.77 -0.51 6.43 4.64 -0.72 -1.09 113.55 123.06 1jcr h SER 61 Ca 0.00 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1jcr h SER 61 Cb 0.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1jcr h SER 61 CO 0.00 0.31 0.11 1.88 -0.87 0.00 0.00 176.83 178.26 1jcr h TYR 62 N 0.78 0.87 -0.07 4.77 -1.99 -1.78 -1.98 116.97 117.58 1jcr h TYR 62 Ca 0.54 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 61.16 1jcr h TYR 62 Cb 0.78 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.26 1jcr h TYR 62 CO -0.02 0.78 0.02 -0.22 -0.00 0.00 0.00 178.16 178.72 1jcr h LYS 63 N 0.72 0.11 0.00 4.88 3.64 -1.58 0.10 116.57 124.45 1jcr h LYS 63 Ca 0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1jcr h LYS 63 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1jcr h LYS 63 CO 0.00 0.29 -0.26 0.74 -2.27 0.00 0.00 179.45 177.96 1jcr h PHE 64 N -0.08 0.00 0.00 1.91 0.05 -1.19 -2.28 116.94 115.36 1jcr h PHE 64 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1jcr h PHE 64 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 1jcr h PHE 64 CO -0.00 0.26 -0.56 0.09 -0.18 0.00 0.00 178.31 177.91 1jcr n ASN 65 N -3.82 0.55 -3.22 2.17 3.02 -0.75 -4.98 115.26 108.23 1jcr n ASN 65 Ca -0.02 -0.27 -0.15 0.00 -0.03 0.00 0.00 54.58 54.11 1jcr n ASN 65 Cb 0.35 0.31 0.08 0.00 -0.61 0.00 0.00 39.78 39.91 1jcr n ASN 65 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jcr n HIS 66 N -1.56 -2.14 -4.19 3.10 8.25 0.20 -5.03 115.22 113.85 1jcr n HIS 66 Ca 0.05 0.85 -0.17 0.00 -0.26 0.00 0.00 57.72 58.19 1jcr n HIS 66 Cb 0.35 -4.57 -0.11 0.00 1.12 0.00 0.00 29.99 26.77 1jcr n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1jcr s LEU 67 N -5.77 2.34 -0.14 2.41 1.43 -0.26 -5.04 118.68 113.65 1jcr s LEU 67 Ca 0.16 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 1jcr s LEU 67 Cb -0.02 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1jcr s LEU 67 CO 0.69 -0.14 0.94 -0.69 0.23 0.00 0.00 176.35 177.38 1jcr s VAL 68 N -1.77 4.81 0.32 -1.59 1.01 -1.26 -4.46 120.40 117.47 1jcr s VAL 68 Ca 0.03 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 1jcr s VAL 68 Cb -0.07 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 1jcr s VAL 68 CO 0.02 -0.00 1.44 -2.16 0.00 0.00 0.00 175.10 174.40 1jcr s PRO 69 N 2.17 4.22 -0.11 2.72 0.04 -1.26 -5.01 135.00 137.78 1jcr s PRO 69 Ca 0.44 2.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.86 1jcr s PRO 69 Cb -0.17 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.37 1jcr s PRO 69 CO 0.14 -0.42 0.02 -0.98 0.04 0.00 0.00 177.00 175.80 1jcr s ARG 70 N -1.35 0.54 -0.52 4.56 1.70 -1.26 -5.10 118.95 117.51 1jcr s ARG 70 Ca 0.55 -0.02 -0.21 0.00 -0.47 0.00 0.00 55.73 55.57 1jcr s ARG 70 Cb -0.44 -1.29 0.05 0.00 -0.57 0.00 0.00 34.95 32.70 1jcr s ARG 70 CO 0.53 -0.41 0.77 -0.51 -1.08 0.00 0.00 175.30 174.59 1jcr s LEU 71 N 1.97 4.56 -0.13 -1.89 1.43 -1.26 -5.03 118.68 118.33 1jcr s LEU 71 Ca 0.03 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1jcr s LEU 71 Cb -0.14 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1jcr s LEU 71 CO -0.06 -1.03 -0.20 -0.69 0.23 0.00 0.00 176.35 174.60 1jcr s VAL 72 N 3.22 2.31 -0.36 -1.59 1.01 -1.26 -2.19 120.40 121.53 1jcr s VAL 72 Ca 0.22 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1jcr s VAL 72 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1jcr s VAL 72 CO 0.15 0.54 1.07 -0.22 0.00 0.00 0.00 175.10 176.64 1jcr s LEU 73 N 0.64 3.87 -0.74 3.92 2.96 -1.26 -4.92 118.68 123.15 1jcr s LEU 73 Ca -0.10 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 54.53 1jcr s LEU 73 Cb -0.16 -3.50 -0.10 0.00 0.50 0.00 0.00 46.19 42.93 1jcr s LEU 73 CO 0.02 -0.96 1.92 0.00 -1.32 0.00 0.00 176.35 176.01 1jcr n GLN 74 N 7.08 1.60 -0.18 1.98 1.13 -1.26 -4.77 117.38 122.96 1jcr n GLN 74 Ca 0.11 -1.48 -0.03 0.00 -1.94 0.00 0.00 57.00 53.66 1jcr n GLN 74 Cb 0.48 -2.57 0.03 0.00 0.11 0.00 0.00 30.24 28.29 1jcr n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jcr h ARG 75 N 7.16 -0.09 -0.62 -1.09 3.08 -1.97 -0.71 114.38 120.14 1jcr h ARG 75 Ca 0.41 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.50 1jcr h ARG 75 Cb 0.34 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 1jcr h ARG 75 CO 1.60 -0.06 0.38 0.93 -1.07 0.00 0.00 179.97 181.75 1jcr h GLU 76 N -0.09 0.72 -0.07 0.04 4.39 -1.99 0.15 114.58 117.71 1jcr h GLU 76 Ca 0.25 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1jcr h GLU 76 Cb 0.49 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1jcr h GLU 76 CO -0.61 0.47 0.03 0.87 -1.16 0.00 0.00 179.01 178.61 1jcr h LYS 77 N 0.74 0.11 -0.87 2.33 1.79 -1.74 -1.52 116.57 117.41 1jcr h LYS 77 Ca 0.25 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1jcr h LYS 77 Cb 0.04 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1jcr h LYS 77 CO -0.11 0.20 0.45 0.45 -1.08 0.00 0.00 179.45 179.36 1jcr h HIS 78 N -0.01 1.21 -0.35 -1.35 3.86 -0.87 -2.49 115.15 115.14 1jcr h HIS 78 Ca 0.02 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1jcr h HIS 78 Cb 0.13 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1jcr h HIS 78 CO -0.03 0.85 0.20 0.35 0.86 0.00 0.00 177.93 180.16 1jcr h PHE 79 N 1.22 0.48 -0.31 2.45 3.57 -0.51 -1.59 116.94 122.26 1jcr h PHE 79 Ca 0.30 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1jcr h PHE 79 Cb 0.06 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1jcr h PHE 79 CO 0.01 0.37 0.18 1.25 -2.23 0.00 0.00 178.31 177.89 1jcr h HIS 80 N 0.45 0.41 -0.60 0.41 2.76 -0.98 0.50 115.15 118.09 1jcr h HIS 80 Ca 0.12 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1jcr h HIS 80 Cb 0.05 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 1jcr h HIS 80 CO -0.03 0.31 0.24 -0.92 -1.30 0.00 0.00 177.93 176.23 1jcr h TYR 81 N 0.39 0.43 0.15 5.26 3.20 -1.30 -2.27 116.97 122.83 1jcr h TYR 81 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1jcr h TYR 81 Cb 0.02 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1jcr h TYR 81 CO -0.04 0.14 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.48 1jcr h LEU 82 N 0.45 -0.17 -1.21 2.82 3.38 -0.94 -2.11 115.31 117.53 1jcr h LEU 82 Ca 0.29 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1jcr h LEU 82 Cb 0.32 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1jcr h LEU 82 CO -0.27 0.29 0.57 0.07 0.09 0.00 0.00 178.44 179.19 1jcr h LYS 83 N -0.68 0.88 -0.05 1.13 2.10 -0.83 -0.51 116.57 118.62 1jcr h LYS 83 Ca -0.02 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.53 1jcr h LYS 83 Cb 0.50 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1jcr h LYS 83 CO 0.03 0.58 -0.17 -0.09 -2.00 0.00 0.00 179.45 177.81 1jcr h ARG 84 N 0.91 0.20 -0.16 0.07 2.43 -1.45 -3.18 114.38 113.19 1jcr h ARG 84 Ca 0.40 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1jcr h ARG 84 Cb 0.34 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1jcr h ARG 84 CO -0.16 0.78 0.13 0.78 -1.51 0.00 0.00 179.97 179.99 1jcr h GLY 85 N -0.35 0.00 2.00 2.80 0.00 -0.90 0.92 103.07 107.54 1jcr h GLY 85 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1jcr h GLY 85 CO 0.04 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.54 1jcr h LEU 86 N 0.00 0.00 0.00 3.11 5.85 -1.08 -3.25 115.31 119.94 1jcr h LEU 86 Ca 0.08 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.51 1jcr h LEU 86 Cb 0.34 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1jcr h LEU 86 CO -0.00 0.03 -2.06 0.54 -0.34 0.00 0.00 178.44 176.62 1jcr n ARG 87 N -3.24 0.45 -3.77 1.25 5.12 0.14 -5.05 116.66 111.57 1jcr n ARG 87 Ca -0.01 0.12 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 1jcr n ARG 87 Cb 0.20 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 30.06 1jcr n ARG 87 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1jcr s GLN 88 N -2.37 0.47 0.09 5.56 0.74 -0.18 -5.15 119.66 118.82 1jcr s GLN 88 Ca -0.25 0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.42 1jcr s GLN 88 Cb 0.07 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 1jcr s GLN 88 CO 0.41 -0.09 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.41 1jcr s LEU 89 N -0.37 2.31 0.82 3.68 1.43 -1.26 -3.98 118.68 121.32 1jcr s LEU 89 Ca -0.05 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 1jcr s LEU 89 Cb -0.03 -0.54 0.09 0.00 0.03 0.00 0.00 46.19 45.73 1jcr s LEU 89 CO 0.02 -0.09 1.17 0.42 0.23 0.00 0.00 176.35 178.10 1jcr s THR 90 N -1.49 2.05 -1.93 5.49 -4.23 -1.26 -4.89 115.64 109.37 1jcr s THR 90 Ca 0.01 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1jcr s THR 90 Cb -0.09 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.99 1jcr s THR 90 CO 0.02 -0.02 0.94 -0.90 -0.54 0.00 0.00 174.62 174.13 1jcr n ASP 91 N -3.39 0.00 0.27 3.99 5.68 -1.26 -1.02 116.55 120.81 1jcr n ASP 91 Ca 0.08 -0.19 0.13 0.00 -0.50 0.00 0.00 54.79 54.30 1jcr n ASP 91 Cb 0.61 -0.03 0.74 0.00 -1.14 0.00 0.00 41.12 41.29 1jcr n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jcr h ALA 92 N 2.47 1.28 -0.42 2.12 0.00 -2.05 -2.32 119.26 120.34 1jcr h ALA 92 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jcr h ALA 92 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jcr h ALA 92 CO 0.00 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.05 1jcr n TYR 93 N -3.62 1.08 0.02 0.00 4.02 -0.19 -4.26 117.16 114.21 1jcr n TYR 93 Ca -0.02 -0.41 0.02 0.00 -0.01 0.00 0.00 57.90 57.48 1jcr n TYR 93 Cb 0.23 -0.23 0.36 0.00 -0.02 0.00 0.00 39.34 39.69 1jcr n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1jcr h GLU 94 N 2.69 0.48 0.00 -0.72 5.08 -1.62 -0.66 114.58 119.83 1jcr h GLU 94 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1jcr h GLU 94 Cb 1.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1jcr h GLU 94 CO 0.20 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1jcr n LEU 96 N -1.61 3.12 0.25 0.00 4.77 -0.26 -4.67 117.00 118.61 1jcr n LEU 96 Ca 0.02 -3.08 0.17 0.00 -0.03 0.00 0.00 56.01 53.09 1jcr n LEU 96 Cb 0.10 -0.49 0.82 0.00 -2.33 0.00 0.00 43.42 41.52 1jcr n LEU 96 CO 0.09 0.71 1.01 -0.78 -1.33 0.00 0.00 177.39 177.08 1jcr h ASP 97 N 0.89 0.00 -0.55 -1.43 3.58 -1.13 -0.61 116.42 117.17 1jcr h ASP 97 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1jcr h ASP 97 Cb 1.23 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.19 1jcr h ASP 97 CO 0.11 0.00 0.14 0.00 -2.88 0.00 0.00 179.24 176.61 1jcr n ALA 98 N -1.97 4.12 -2.58 -0.78 0.00 -1.26 -4.44 120.51 113.60 1jcr n ALA 98 Ca -0.01 -2.47 0.01 0.00 0.00 0.00 0.00 53.44 50.97 1jcr n ALA 98 Cb 0.16 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.61 1jcr n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jcr n SER 99 N -0.40 0.77 -0.02 0.00 7.64 -0.24 -4.10 113.62 117.26 1jcr n SER 99 Ca 0.34 -2.03 -0.01 0.00 1.01 0.00 0.00 58.87 58.19 1jcr n SER 99 Cb 1.20 -0.21 0.27 0.00 -1.01 0.00 0.00 64.21 64.47 1jcr n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1jcr h ARG 100 N 1.46 0.58 0.00 1.43 3.08 -1.20 -1.46 114.38 118.27 1jcr h ARG 100 Ca -0.25 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 1jcr h ARG 100 Cb 1.57 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 1jcr h ARG 100 CO 0.06 0.59 -0.13 -1.35 -1.07 0.00 0.00 179.97 178.07 1jcr h PRO 101 N 0.56 0.00 -0.34 0.04 0.11 -1.84 -0.39 132.00 130.15 1jcr h PRO 101 Ca 0.12 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1jcr h PRO 101 Cb 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1jcr h PRO 101 CO 0.01 0.13 -0.41 -1.49 -0.21 0.00 0.00 178.00 176.03 1jcr h TRP 102 N 0.00 1.01 -0.75 0.65 4.06 -1.58 -0.04 115.95 119.30 1jcr h TRP 102 Ca -0.00 -0.31 -0.02 0.00 2.06 0.00 0.00 58.89 60.63 1jcr h TRP 102 Cb 0.36 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.27 1jcr h TRP 102 CO 0.00 1.10 0.40 -0.07 -3.56 0.00 0.00 178.44 176.31 1jcr h LEU 103 N 0.68 0.94 0.06 -4.49 3.38 -0.82 0.29 115.31 115.36 1jcr h LEU 103 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jcr h LEU 103 Cb 0.98 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1jcr h LEU 103 CO 0.09 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.37 1jcr h TYR 105 N -0.16 -0.32 -0.68 0.00 3.20 -0.60 -0.61 116.97 117.80 1jcr h TYR 105 Ca -0.01 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1jcr h TYR 105 Cb 0.13 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 1jcr h TYR 105 CO -0.05 -0.14 0.29 -1.49 -1.64 0.00 0.00 178.16 175.13 1jcr h TRP 106 N -0.43 0.51 0.12 -3.82 6.55 -0.42 0.32 115.95 118.77 1jcr h TRP 106 Ca -0.04 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1jcr h TRP 106 Cb 0.33 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1jcr h TRP 106 CO -0.03 0.14 -0.06 0.82 -1.05 0.00 0.00 178.44 178.26 1jcr h ILE 107 N 0.49 1.08 -0.97 1.49 2.04 -1.30 -1.73 117.51 118.61 1jcr h ILE 107 Ca 0.35 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1jcr h ILE 107 Cb 0.44 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1jcr h ILE 107 CO -0.32 0.25 0.63 -0.07 0.00 0.00 0.00 178.15 178.64 1jcr h LEU 108 N -0.69 1.04 -0.48 1.44 3.38 -0.99 -0.27 115.31 118.74 1jcr h LEU 108 Ca -0.02 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1jcr h LEU 108 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jcr h LEU 108 CO 0.03 0.70 -0.14 -0.74 0.09 0.00 0.00 178.44 178.37 1jcr h HIS 109 N 1.20 1.07 -0.70 1.13 2.76 -0.98 -0.52 115.15 119.11 1jcr h HIS 109 Ca 0.40 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1jcr h HIS 109 Cb 0.05 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1jcr h HIS 109 CO -0.01 1.04 0.43 0.77 -1.30 0.00 0.00 177.93 178.86 1jcr h SER 110 N 0.80 0.83 -0.63 3.26 0.02 -0.43 0.00 113.55 117.41 1jcr h SER 110 Ca 0.12 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1jcr h SER 110 Cb 0.71 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1jcr h SER 110 CO 0.05 0.64 0.25 -0.07 -1.14 0.00 0.00 176.83 176.57 1jcr h LEU 111 N 0.95 0.86 -0.61 5.07 3.38 -0.88 -1.47 115.31 122.62 1jcr h LEU 111 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1jcr h LEU 111 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1jcr h LEU 111 CO -0.05 0.80 0.35 -0.08 0.09 0.00 0.00 178.44 179.55 1jcr h GLU 112 N 0.88 0.84 -0.63 1.13 4.81 -0.60 0.62 114.58 121.63 1jcr h GLU 112 Ca 0.21 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1jcr h GLU 112 Cb 0.20 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1jcr h GLU 112 CO -0.02 0.63 0.22 -0.07 -0.73 0.00 0.00 179.01 179.04 1jcr h LEU 113 N 0.83 0.87 -0.14 1.64 3.38 -0.66 -0.92 115.31 120.30 1jcr h LEU 113 Ca 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jcr h LEU 113 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1jcr h LEU 113 CO -0.04 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1jcr n LEU 114 N -4.29 0.21 -2.95 1.67 4.77 -0.58 -1.00 117.00 114.82 1jcr n LEU 114 Ca 0.05 -0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1jcr n LEU 114 Cb 0.19 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1jcr n LEU 114 CO 0.40 0.04 0.03 -0.67 -1.33 0.00 0.00 177.39 175.86 1jcr n ASP 115 N -0.74 -5.98 -4.72 -1.43 2.03 -0.35 -4.97 116.55 100.39 1jcr n ASP 115 Ca 0.19 -0.31 -0.36 0.00 0.52 0.00 0.00 54.79 54.83 1jcr n ASP 115 Cb 0.12 -4.77 -0.07 0.00 -0.72 0.00 0.00 41.12 35.68 1jcr n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1jcr s GLU 116 N -5.73 4.23 0.56 -0.67 0.41 0.09 -5.01 118.70 112.57 1jcr s GLU 116 Ca 0.33 -0.02 -0.19 0.00 -0.41 0.00 0.00 54.97 54.67 1jcr s GLU 116 Cb -0.14 -3.43 -0.05 0.00 -1.78 0.00 0.00 34.13 28.72 1jcr s GLU 116 CO 0.40 0.24 1.15 -1.25 -0.49 0.00 0.00 175.26 175.31 1jcr s PRO 117 N 0.50 3.26 -0.42 0.39 0.04 -1.26 -4.37 135.00 133.14 1jcr s PRO 117 Ca 0.13 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1jcr s PRO 117 Cb -0.12 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1jcr s PRO 117 CO 0.02 -0.94 0.31 0.42 0.04 0.00 0.00 177.00 176.85 1jcr s ILE 118 N -1.73 5.19 0.35 0.56 -1.09 -1.26 -5.05 121.20 118.18 1jcr s ILE 118 Ca 0.74 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 58.13 1jcr s ILE 118 Cb -0.26 -3.93 -0.12 0.00 -1.58 0.00 0.00 42.46 36.57 1jcr s ILE 118 CO 0.28 -0.35 1.27 -2.65 -1.23 0.00 0.00 174.94 172.27 1jcr n PRO 119 N 5.15 2.07 0.18 2.79 -0.02 -1.26 -4.73 135.00 139.18 1jcr n PRO 119 Ca -0.11 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1jcr n PRO 119 Cb 0.46 -2.31 0.74 0.00 -0.02 0.00 0.00 33.50 32.37 1jcr n PRO 119 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1jcr h GLN 120 N 2.47 0.00 -0.27 -0.52 5.75 -1.98 0.16 115.11 120.71 1jcr h GLN 120 Ca -0.46 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 1jcr h GLN 120 Cb 1.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1jcr h GLN 120 CO 0.62 0.00 0.04 0.82 -2.65 0.00 0.00 178.83 177.66 1jcr h ILE 121 N 0.00 1.23 0.29 2.39 5.03 -2.00 -1.67 117.51 122.79 1jcr h ILE 121 Ca 0.10 -0.79 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 1jcr h ILE 121 Cb 0.43 1.23 0.00 0.00 -3.03 0.00 0.00 36.82 35.46 1jcr h ILE 121 CO -0.00 0.26 -0.14 0.58 -0.68 0.00 0.00 178.15 178.16 1jcr h VAL 122 N 0.26 0.74 -0.51 1.67 2.07 -1.49 -2.03 116.25 116.97 1jcr h VAL 122 Ca 0.08 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.44 1jcr h VAL 122 Cb 0.34 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1jcr h VAL 122 CO 0.01 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1jcr h ALA 123 N 0.14 0.48 -0.60 1.67 0.00 -1.01 0.75 119.26 120.68 1jcr h ALA 123 Ca -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jcr h ALA 123 Cb 0.39 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jcr h ALA 123 CO 0.07 -0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.05 1jcr h THR 124 N 0.12 1.24 -0.42 0.00 1.03 -1.26 -1.03 112.91 112.59 1jcr h THR 124 Ca 0.26 -0.92 -0.09 0.00 -0.01 0.00 0.00 66.41 65.65 1jcr h THR 124 Cb 0.39 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 68.10 1jcr h THR 124 CO -0.42 0.34 -0.12 0.44 -0.01 0.00 0.00 175.52 175.75 1jcr h ASP 125 N 0.90 0.76 -0.34 0.00 3.32 -0.44 -0.91 116.42 119.71 1jcr h ASP 125 Ca 0.19 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1jcr h ASP 125 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1jcr h ASP 125 CO 0.00 0.90 -0.04 0.58 -1.72 0.00 0.00 179.24 178.96 1jcr h VAL 126 N 0.69 1.27 0.02 -1.35 2.07 -0.50 -1.03 116.25 117.42 1jcr h VAL 126 Ca 0.12 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1jcr h VAL 126 Cb 0.59 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1jcr h VAL 126 CO 0.04 0.35 -0.20 0.00 0.02 0.00 0.00 177.57 177.78 1jcr h GLN 128 N -0.33 0.94 -0.33 0.00 4.20 -1.11 -1.38 115.11 117.10 1jcr h GLN 128 Ca 0.05 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1jcr h GLN 128 Cb 0.39 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1jcr h GLN 128 CO -0.17 0.71 0.08 0.35 -0.67 0.00 0.00 178.83 179.14 1jcr h PHE 129 N 0.94 0.55 0.00 2.96 3.57 -0.43 -2.55 116.94 121.99 1jcr h PHE 129 Ca 0.23 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1jcr h PHE 129 Cb 0.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1jcr h PHE 129 CO 0.01 0.57 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.41 1jcr h LEU 130 N 0.38 0.00 -0.50 0.59 3.38 -0.37 -1.63 115.31 117.16 1jcr h LEU 130 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jcr h LEU 130 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1jcr h LEU 130 CO 0.00 0.17 0.15 -0.33 0.09 0.00 0.00 178.44 178.52 1jcr h GLU 131 N 0.00 0.78 -0.04 1.13 5.08 -0.96 -0.78 114.58 119.80 1jcr h GLU 131 Ca -0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1jcr h GLU 131 Cb 0.31 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jcr h GLU 131 CO 0.02 0.74 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.67 1jcr h LEU 132 N 0.68 0.05 0.00 1.33 3.38 -0.91 -1.69 115.31 118.15 1jcr h LEU 132 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jcr h LEU 132 Cb 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1jcr h LEU 132 CO -0.00 0.09 -0.13 0.00 0.09 0.00 0.00 178.44 178.48 1jcr s GLN 134 N -3.22 4.36 0.44 0.00 0.74 -0.38 -0.99 119.66 120.62 1jcr s GLN 134 Ca 0.06 2.03 -0.21 0.00 0.05 0.00 0.00 55.36 57.29 1jcr s GLN 134 Cb 0.06 -3.24 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 1jcr s GLN 134 CO 0.68 -0.34 0.98 0.45 -0.55 0.00 0.00 175.29 176.51 1jcr s SER 135 N 0.79 6.78 0.63 6.67 0.15 0.21 -4.93 113.70 124.00 1jcr s SER 135 Ca 0.61 1.78 0.41 0.00 0.70 0.00 0.00 55.95 59.45 1jcr s SER 135 Cb -0.36 -2.55 2.12 0.00 -1.71 0.00 0.00 66.02 63.53 1jcr s SER 135 CO 0.33 -0.47 2.26 -0.65 1.20 0.00 0.00 173.24 175.91 1jcr h PRO 136 N 1.90 0.00 -0.37 5.44 0.11 -1.95 -2.02 132.00 135.11 1jcr h PRO 136 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1jcr h PRO 136 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1jcr h PRO 136 CO 0.61 0.00 0.03 -0.25 -0.21 0.00 0.00 178.00 178.18 1jcr n ASP 137 N -3.09 4.04 0.00 -2.05 9.92 -1.26 -5.02 116.55 119.09 1jcr n ASP 137 Ca -0.02 -3.14 0.00 0.00 -0.53 0.00 0.00 54.79 51.10 1jcr n ASP 137 Cb 0.14 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1jcr n ASP 137 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jcr n GLY 138 N -0.42 0.86 0.00 0.44 0.00 -0.76 -4.11 105.19 101.20 1jcr n GLY 138 Ca 0.26 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1jcr n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 139 N 1.06 -1.49 3.37 -0.02 0.00 -1.26 -4.44 105.19 102.40 1jcr n GLY 139 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1jcr n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jcr s PHE 140 N -2.06 2.31 0.37 1.61 0.40 -1.26 -0.62 117.98 118.72 1jcr s PHE 140 Ca 0.00 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1jcr s PHE 140 Cb 0.00 -1.30 0.06 0.00 0.51 0.00 0.00 43.02 42.29 1jcr s PHE 140 CO 0.00 0.25 0.49 0.41 0.70 0.00 0.00 175.22 177.07 1jcr n GLY 141 N 1.27 2.02 0.00 4.36 0.00 -0.16 -1.22 105.19 111.47 1jcr n GLY 141 Ca -0.18 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.78 1jcr n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 142 N 0.50 -1.32 3.65 -0.02 0.00 -1.26 -4.68 105.19 102.06 1jcr n GLY 142 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1jcr n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jcr s GLY 143 N -2.82 -0.40 0.23 -0.02 0.00 -1.26 -1.23 107.32 101.81 1jcr s GLY 143 Ca 0.18 0.68 -0.32 0.00 0.00 0.00 0.00 44.72 45.27 1jcr s GLY 143 CO 0.46 0.97 1.67 -1.05 0.00 0.00 0.00 173.10 175.15 1jcr n PRO 144 N -0.56 2.68 -0.25 2.90 -0.02 -1.26 -1.79 135.00 136.70 1jcr n PRO 144 Ca -0.07 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1jcr n PRO 144 Cb 0.63 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1jcr n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcr n GLY 145 N 3.38 1.59 3.86 -1.23 0.00 -1.26 -5.02 105.19 106.51 1jcr n GLY 145 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1jcr n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jcr s GLN 146 N -0.32 3.94 0.63 1.61 -0.21 -0.74 -5.04 119.66 119.53 1jcr s GLN 146 Ca 0.00 0.61 -0.18 0.00 0.02 0.00 0.00 55.36 55.81 1jcr s GLN 146 Cb 0.00 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 1jcr s GLN 146 CO 0.00 0.11 1.19 0.71 -2.12 0.00 0.00 175.29 175.18 1jcr s TYR 147 N -2.09 2.36 0.66 0.91 4.12 -1.26 -4.40 117.35 117.64 1jcr s TYR 147 Ca 0.53 1.54 -0.16 0.00 0.02 0.00 0.00 57.07 59.00 1jcr s TYR 147 Cb -0.10 -3.43 -0.00 0.00 -1.52 0.00 0.00 41.96 36.90 1jcr s TYR 147 CO 0.21 -2.21 1.17 -1.25 0.02 0.00 0.00 175.55 173.50 1jcr s PRO 148 N -3.55 2.66 -0.16 -1.71 0.04 -1.26 -4.12 135.00 126.90 1jcr s PRO 148 Ca 0.75 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.31 1jcr s PRO 148 Cb -0.29 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1jcr s PRO 148 CO 0.36 -1.41 0.42 -1.58 0.04 0.00 0.00 177.00 174.84 1jcr s HIS 149 N -1.95 -0.47 0.49 0.56 2.46 -0.35 -4.62 115.29 111.40 1jcr s HIS 149 Ca 0.73 1.14 0.14 0.00 0.47 0.00 0.00 55.06 57.55 1jcr s HIS 149 Cb -0.27 0.16 1.16 0.00 -0.13 0.00 0.00 32.58 33.51 1jcr s HIS 149 CO 0.39 -0.23 2.11 -0.07 -2.47 0.00 0.00 174.74 174.47 1jcr h LEU 150 N 5.52 0.14 0.34 8.88 3.38 -0.87 -1.67 115.31 131.03 1jcr h LEU 150 Ca -0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1jcr h LEU 150 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1jcr h LEU 150 CO 0.24 0.10 -0.16 0.00 0.09 0.00 0.00 178.44 178.70 1jcr h ALA 151 N 1.91 -0.46 0.00 1.53 0.00 -1.92 -0.93 119.26 119.38 1jcr h ALA 151 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jcr h ALA 151 Cb 0.06 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jcr h ALA 151 CO -0.01 -0.58 -0.06 -1.00 0.00 0.00 0.00 179.25 177.60 1jcr h PRO 152 N -0.82 0.00 -0.32 0.00 0.13 -1.80 -1.56 132.00 127.64 1jcr h PRO 152 Ca -0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1jcr h PRO 152 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1jcr h PRO 152 CO 0.08 0.06 -0.09 1.15 -0.23 0.00 0.00 178.00 178.97 1jcr h THR 153 N 0.00 1.28 -0.30 1.56 2.02 -1.19 0.14 112.91 116.42 1jcr h THR 153 Ca -0.00 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1jcr h THR 153 Cb 0.40 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1jcr h THR 153 CO 0.01 0.37 0.15 0.22 0.37 0.00 0.00 175.52 176.64 1jcr h TYR 154 N 0.40 0.43 -0.39 3.16 3.20 -0.57 -1.57 116.97 121.63 1jcr h TYR 154 Ca 0.08 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1jcr h TYR 154 Cb 0.60 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1jcr h TYR 154 CO 0.05 0.38 0.18 0.00 -1.64 0.00 0.00 178.16 177.14 1jcr h ALA 155 N 1.01 0.51 -0.22 1.82 0.00 -1.18 -1.66 119.26 119.54 1jcr h ALA 155 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcr h ALA 155 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jcr h ALA 155 CO -0.01 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.44 1jcr h ALA 156 N 1.03 0.28 -0.30 0.00 0.00 -0.58 0.73 119.26 120.43 1jcr h ALA 156 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jcr h ALA 156 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jcr h ALA 156 CO -0.02 -0.22 0.20 0.28 0.00 0.00 0.00 179.25 179.49 1jcr h VAL 157 N 0.27 1.07 -0.52 0.00 2.07 -1.22 -0.17 116.25 117.75 1jcr h VAL 157 Ca 0.08 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1jcr h VAL 157 Cb 0.02 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1jcr h VAL 157 CO -0.01 0.07 0.32 0.78 0.02 0.00 0.00 177.57 178.75 1jcr h ASN 158 N 0.40 0.53 -0.27 0.57 4.21 -1.03 -0.80 115.58 119.19 1jcr h ASN 158 Ca 0.11 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.63 1jcr h ASN 158 Cb -0.04 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 1jcr h ASN 158 CO -0.03 0.37 0.17 0.00 -1.29 0.00 0.00 177.43 176.66 1jcr h ALA 159 N 1.22 0.34 -0.45 -0.83 0.00 -0.38 -0.34 119.26 118.83 1jcr h ALA 159 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jcr h ALA 159 Cb -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jcr h ALA 159 CO -0.08 -0.21 0.21 -0.07 0.00 0.00 0.00 179.25 179.10 1jcr h LEU 160 N 0.34 0.56 -0.62 0.00 3.38 -0.59 -2.13 115.31 116.25 1jcr h LEU 160 Ca 0.10 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1jcr h LEU 160 Cb -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jcr h LEU 160 CO -0.04 0.48 -0.63 0.00 0.09 0.00 0.00 178.44 178.35 1jcr h ILE 162 N 0.17 1.26 -0.09 0.00 2.04 -0.46 -2.51 117.51 117.93 1jcr h ILE 162 Ca -0.01 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1jcr h ILE 162 Cb 1.14 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1jcr h ILE 162 CO 0.10 0.38 -0.01 0.40 0.00 0.00 0.00 178.15 179.02 1jcr h ILE 163 N 0.98 1.27 -0.64 -0.67 2.04 -1.17 -3.47 117.51 115.85 1jcr h ILE 163 Ca 0.19 -0.87 -0.28 0.00 1.00 0.00 0.00 64.86 64.91 1jcr h ILE 163 Cb 0.44 1.68 -0.11 0.00 -0.74 0.00 0.00 36.82 38.09 1jcr h ILE 163 CO 0.01 0.24 -0.25 0.61 0.00 0.00 0.00 178.15 178.77 1jcr n GLY 164 N -0.19 1.35 3.95 5.37 0.00 0.33 -5.01 105.19 110.99 1jcr n GLY 164 Ca -0.06 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1jcr n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jcr s THR 165 N -2.30 2.71 0.25 2.61 -4.23 -1.26 -4.90 115.64 108.52 1jcr s THR 165 Ca 0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1jcr s THR 165 Cb 0.00 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.98 1jcr s THR 165 CO 0.00 -0.06 1.87 -0.08 -0.54 0.00 0.00 174.62 175.81 1jcr h GLU 166 N -0.14 1.14 0.13 3.99 4.57 -1.98 -0.67 114.58 121.63 1jcr h GLU 166 Ca -0.43 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1jcr h GLU 166 Cb 1.30 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1jcr h GLU 166 CO 0.56 0.85 -0.08 1.49 -1.18 0.00 0.00 179.01 180.65 1jcr h GLU 167 N 1.15 -0.21 0.00 1.92 4.81 -1.98 -0.02 114.58 120.26 1jcr h GLU 167 Ca 0.29 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1jcr h GLU 167 Cb 0.06 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1jcr h GLU 167 CO -0.04 -0.14 -0.27 0.00 -0.73 0.00 0.00 179.01 177.83 1jcr h ALA 168 N 0.65 -0.37 -0.96 2.92 0.00 -1.67 -1.72 119.26 118.11 1jcr h ALA 168 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jcr h ALA 168 Cb 0.18 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1jcr h ALA 168 CO 0.01 -0.77 0.63 1.88 0.00 0.00 0.00 179.25 181.00 1jcr h TYR 169 N -0.41 1.18 0.00 0.00 0.99 -1.06 -2.44 116.97 115.23 1jcr h TYR 169 Ca 0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1jcr h TYR 169 Cb 0.50 -0.39 0.00 0.00 1.00 0.00 0.00 36.73 37.83 1jcr h TYR 169 CO -0.30 0.69 0.00 -0.91 -0.00 0.00 0.00 178.16 177.64 1jcr h ASN 170 N 1.22 0.00 -0.79 3.88 2.35 -0.09 -2.94 115.58 119.22 1jcr h ASN 170 Ca 0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.10 1jcr h ASN 170 Cb -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1jcr h ASN 170 CO -0.11 0.00 0.36 0.58 -1.65 0.00 0.00 177.43 176.61 1jcr h VAL 171 N 0.00 1.25 -2.68 2.81 2.07 -1.00 -3.43 116.25 115.27 1jcr h VAL 171 Ca 0.00 -0.74 -0.56 0.00 0.82 0.00 0.00 66.70 66.22 1jcr h VAL 171 Cb 0.29 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1jcr h VAL 171 CO 0.00 0.31 1.11 -0.63 0.02 0.00 0.00 177.57 178.38 1jcr s ILE 172 N -5.61 3.66 -0.83 4.57 1.01 -1.11 -4.93 121.20 117.94 1jcr s ILE 172 Ca -0.12 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 1jcr s ILE 172 Cb 0.16 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 39.11 1jcr s ILE 172 CO 0.83 -0.19 1.16 0.21 0.00 0.00 0.00 174.94 176.95 1jcr s ASN 173 N 3.92 6.39 0.25 3.58 3.84 -1.26 -4.89 114.94 126.77 1jcr s ASN 173 Ca 0.72 -1.36 -0.06 0.00 0.21 0.00 0.00 52.86 52.38 1jcr s ASN 173 Cb -0.28 -2.46 0.27 0.00 -0.55 0.00 0.00 41.25 38.22 1jcr s ASN 173 CO 0.29 -1.39 1.93 0.03 -2.79 0.00 0.00 177.10 175.17 1jcr h ARG 174 N 9.44 1.32 -0.04 0.43 3.08 -1.96 -0.63 114.38 126.03 1jcr h ARG 174 Ca -0.04 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1jcr h ARG 174 Cb 1.04 -0.30 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1jcr h ARG 174 CO 1.22 0.87 0.01 0.93 -1.07 0.00 0.00 179.97 181.93 1jcr h GLU 175 N 1.36 0.06 -0.48 0.04 3.07 -2.00 -1.84 114.58 114.79 1jcr h GLU 175 Ca 0.37 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.15 1jcr h GLU 175 Cb -0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1jcr h GLU 175 CO -0.08 0.29 0.03 0.87 -1.40 0.00 0.00 179.01 178.72 1jcr h LYS 176 N -0.18 0.77 -0.18 2.33 1.79 -1.89 -1.30 116.57 117.91 1jcr h LYS 176 Ca 0.01 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1jcr h LYS 176 Cb 0.25 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1jcr h LYS 176 CO 0.00 0.76 0.06 1.25 -1.08 0.00 0.00 179.45 180.44 1jcr h LEU 177 N 0.73 0.07 -0.62 2.94 5.85 -0.95 0.34 115.31 123.68 1jcr h LEU 177 Ca 0.15 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jcr h LEU 177 Cb 0.40 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1jcr h LEU 177 CO 0.01 0.07 0.35 0.25 -0.34 0.00 0.00 178.44 178.78 1jcr h LEU 178 N 0.15 0.76 -0.49 2.25 5.85 -1.11 0.03 115.31 122.74 1jcr h LEU 178 Ca 0.08 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1jcr h LEU 178 Cb 0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1jcr h LEU 178 CO -0.08 0.62 0.27 1.56 -0.34 0.00 0.00 178.44 180.47 1jcr h GLN 179 N 0.84 0.51 -0.03 1.25 4.20 -0.62 -1.53 115.11 119.73 1jcr h GLN 179 Ca 0.22 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.92 1jcr h GLN 179 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1jcr h GLN 179 CO -0.04 0.34 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.45 1jcr h TYR 180 N 0.53 -0.23 -0.95 2.96 3.20 0.40 -0.91 116.97 121.97 1jcr h TYR 180 Ca 0.20 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1jcr h TYR 180 Cb 0.07 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 1jcr h TYR 180 CO -0.08 -0.14 0.60 -0.07 -1.64 0.00 0.00 178.16 176.82 1jcr h LEU 181 N -0.15 0.94 -0.85 2.82 3.38 -0.53 -1.25 115.31 119.68 1jcr h LEU 181 Ca 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1jcr h LEU 181 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jcr h LEU 181 CO -0.12 0.58 0.06 1.88 0.09 0.00 0.00 178.44 180.93 1jcr h TYR 182 N 1.06 0.97 0.00 1.13 0.99 -0.80 -2.29 116.97 118.04 1jcr h TYR 182 Ca 0.42 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 61.02 1jcr h TYR 182 Cb 0.22 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.69 1jcr h TYR 182 CO -0.02 0.85 0.00 0.66 -0.00 0.00 0.00 178.16 179.66 1jcr h SER 183 N 0.86 0.00 0.01 3.88 4.64 0.05 -2.78 113.55 120.21 1jcr h SER 183 Ca 0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1jcr h SER 183 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1jcr h SER 183 CO 0.01 0.00 -2.02 0.18 -0.87 0.00 0.00 176.83 174.14 1jcr n LEU 184 N -2.64 0.01 -4.73 5.97 4.77 -0.91 -4.98 117.00 114.48 1jcr n LEU 184 Ca -0.00 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1jcr n LEU 184 Cb 0.17 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1jcr n LEU 184 CO 0.19 0.04 1.15 1.17 -1.33 0.00 0.00 177.39 178.61 1jcr n LYS 185 N -2.31 2.53 -4.17 3.23 3.00 -0.91 -1.31 118.16 118.22 1jcr n LYS 185 Ca -0.06 0.90 -0.26 0.00 -0.00 0.00 0.00 58.31 58.88 1jcr n LYS 185 Cb 0.62 -2.63 -0.07 0.00 0.00 0.00 0.00 35.03 32.95 1jcr n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1jcr s GLN 186 N -0.91 2.56 0.56 1.64 -1.52 0.15 -4.93 119.66 117.21 1jcr s GLN 186 Ca 0.62 -1.05 0.27 0.00 -1.95 0.00 0.00 55.36 53.25 1jcr s GLN 186 Cb -0.52 -2.44 1.65 0.00 -0.22 0.00 0.00 33.01 31.47 1jcr s GLN 186 CO 0.53 0.46 2.19 -1.00 -0.25 0.00 0.00 175.29 177.21 1jcr h PRO 187 N 2.54 0.00 -0.07 2.91 0.13 -1.96 -1.57 132.00 133.98 1jcr h PRO 187 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jcr h PRO 187 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jcr h PRO 187 CO 0.60 0.04 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1jcr n ASP 188 N -3.88 0.63 0.00 1.44 3.85 -1.26 -4.89 116.55 112.44 1jcr n ASP 188 Ca -0.03 -1.61 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 1jcr n ASP 188 Cb 0.13 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1jcr n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jcr n GLY 189 N 0.88 2.73 3.94 6.12 0.00 -0.59 -4.46 105.19 113.80 1jcr n GLY 189 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1jcr n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jcr s SER 190 N -1.26 3.66 0.05 1.61 1.04 -1.26 -3.73 113.70 113.82 1jcr s SER 190 Ca 0.00 0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.74 1jcr s SER 190 Cb 0.00 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1jcr s SER 190 CO 0.00 -2.37 -0.13 -0.36 0.98 0.00 0.00 173.24 171.36 1jcr s PHE 191 N -3.67 1.09 0.62 5.02 0.40 -1.26 0.34 117.98 120.52 1jcr s PHE 191 Ca 0.70 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1jcr s PHE 191 Cb -0.06 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1jcr s PHE 191 CO 0.50 0.02 1.03 -0.51 0.70 0.00 0.00 175.22 176.97 1jcr s LEU 192 N -1.44 3.25 0.22 -0.37 1.43 -0.43 -4.31 118.68 117.02 1jcr s LEU 192 Ca -0.02 1.44 0.10 0.00 -1.03 0.00 0.00 54.13 54.63 1jcr s LEU 192 Cb -0.09 -4.47 0.11 0.00 0.03 0.00 0.00 46.19 41.76 1jcr s LEU 192 CO 0.02 -0.89 1.46 0.24 0.23 0.00 0.00 176.35 177.40 1jcr h MET 193 N -0.28 0.00 -2.41 1.70 2.86 -0.92 -3.46 114.93 112.42 1jcr h MET 193 Ca -0.44 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.36 1jcr h MET 193 Cb 1.19 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.76 1jcr h MET 193 CO 0.62 0.75 0.46 -3.38 1.06 0.00 0.00 176.91 176.41 1jcr s HIS 194 N -3.13 -0.17 0.07 -0.22 0.00 -1.26 -0.20 115.29 110.37 1jcr s HIS 194 Ca 0.00 -0.13 -0.32 0.00 -3.00 0.00 0.00 55.06 51.61 1jcr s HIS 194 Cb 0.11 0.63 -0.11 0.00 -4.00 0.00 0.00 32.58 29.21 1jcr s HIS 194 CO 0.78 -0.84 1.86 0.28 -1.00 0.00 0.00 174.74 175.82 1jcr n VAL 195 N -0.44 0.48 -1.10 -5.38 0.31 -1.26 -0.11 118.33 110.82 1jcr n VAL 195 Ca -0.06 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1jcr n VAL 195 Cb 0.61 -2.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.45 1jcr n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jcr n GLY 196 N 4.28 0.62 3.09 2.92 0.00 -1.26 -5.01 105.19 109.83 1jcr n GLY 196 Ca 0.19 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1jcr n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 197 N -1.93 2.05 3.86 -0.02 0.00 0.84 -5.10 105.19 104.88 1jcr n GLY 197 Ca -0.03 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 1jcr n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jcr s GLU 198 N -4.05 3.01 -0.08 1.61 1.03 -1.26 -4.59 118.70 114.36 1jcr s GLU 198 Ca 0.46 0.64 0.05 0.00 0.03 0.00 0.00 54.97 56.15 1jcr s GLU 198 Cb -0.04 -2.02 -0.00 0.00 -0.80 0.00 0.00 34.13 31.27 1jcr s GLU 198 CO 0.29 -0.97 -0.24 0.08 -1.33 0.00 0.00 175.26 173.10 1jcr s VAL 199 N -3.23 2.00 0.13 1.83 1.01 -1.26 -0.31 120.40 120.56 1jcr s VAL 199 Ca 0.57 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1jcr s VAL 199 Cb -0.12 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.61 1jcr s VAL 199 CO 0.53 0.55 0.97 1.51 0.00 0.00 0.00 175.10 178.66 1jcr s ASP 200 N 0.17 -0.19 0.63 3.32 1.47 -1.26 -4.88 116.67 115.94 1jcr s ASP 200 Ca -0.13 -0.36 0.33 0.00 1.18 0.00 0.00 52.55 53.57 1jcr s ASP 200 Cb -0.16 0.47 1.82 0.00 -0.34 0.00 0.00 42.92 44.71 1jcr s ASP 200 CO 0.07 -0.86 2.02 1.62 0.68 0.00 0.00 175.17 178.70 1jcr h VAL 201 N 2.00 0.00 -0.95 2.11 3.04 -1.10 -2.00 116.25 119.35 1jcr h VAL 201 Ca -0.24 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.48 1jcr h VAL 201 Cb 1.23 0.74 -0.05 0.00 -2.01 0.00 0.00 31.29 31.20 1jcr h VAL 201 CO 0.26 0.00 0.63 0.03 -1.01 0.00 0.00 177.57 177.47 1jcr h ARG 202 N 0.00 1.19 -0.84 4.17 3.08 -1.91 -2.57 114.38 117.51 1jcr h ARG 202 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1jcr h ARG 202 Cb 0.42 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1jcr h ARG 202 CO 0.00 0.78 0.49 0.66 -1.07 0.00 0.00 179.97 180.83 1jcr h SER 203 N 1.22 1.02 -0.05 7.04 4.64 -1.66 0.06 113.55 125.83 1jcr h SER 203 Ca 0.37 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1jcr h SER 203 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1jcr h SER 203 CO -0.10 0.80 -0.01 0.00 -0.87 0.00 0.00 176.83 176.64 1jcr h ALA 204 N 1.26 0.03 -0.34 5.18 0.00 -1.63 -0.20 119.26 123.56 1jcr h ALA 204 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1jcr h ALA 204 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jcr h ALA 204 CO -0.05 -0.50 0.13 -0.92 0.00 0.00 0.00 179.25 177.91 1jcr h TYR 205 N -0.00 0.52 -0.22 0.00 3.20 -1.28 -1.13 116.97 118.06 1jcr h TYR 205 Ca 0.03 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1jcr h TYR 205 Cb 0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1jcr h TYR 205 CO -0.12 0.49 0.08 0.00 -1.64 0.00 0.00 178.16 176.97 1jcr h ALA 207 N 1.14 0.27 -0.78 0.00 0.00 -0.98 -2.23 119.26 116.67 1jcr h ALA 207 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jcr h ALA 207 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1jcr h ALA 207 CO -0.10 -0.16 0.40 0.00 0.00 0.00 0.00 179.25 179.39 1jcr h ALA 208 N 0.95 1.00 0.43 0.00 0.00 -1.05 1.00 119.26 121.59 1jcr h ALA 208 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jcr h ALA 208 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jcr h ALA 208 CO -0.01 0.54 -0.21 1.03 0.00 0.00 0.00 179.25 180.61 1jcr h SER 209 N 1.09 -0.49 -0.31 0.00 0.87 -0.85 -0.06 113.55 113.80 1jcr h SER 209 Ca 0.27 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1jcr h SER 209 Cb 0.08 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1jcr h SER 209 CO -0.04 -0.31 -0.26 -0.37 -0.53 0.00 0.00 176.83 175.32 1jcr h VAL 210 N -0.63 1.27 -0.53 2.23 -1.51 -1.32 -1.85 116.25 113.91 1jcr h VAL 210 Ca -0.06 -1.40 -0.12 0.00 -1.23 0.00 0.00 66.70 63.89 1jcr h VAL 210 Cb 0.47 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 1jcr h VAL 210 CO 0.10 0.47 -0.13 0.00 -1.23 0.00 0.00 177.57 176.77 1jcr h ALA 211 N 1.00 0.76 -0.05 5.19 0.00 -0.75 -1.74 119.26 123.67 1jcr h ALA 211 Ca 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1jcr h ALA 211 Cb 0.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jcr h ALA 211 CO 0.07 0.67 -0.07 0.66 0.00 0.00 0.00 179.25 180.58 1jcr h SER 212 N 0.90 0.15 -0.81 0.00 4.64 -0.95 -1.64 113.55 115.85 1jcr h SER 212 Ca 0.13 -0.53 0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1jcr h SER 212 Cb 0.70 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 1jcr h SER 212 CO 0.05 0.65 0.49 -0.07 -0.87 0.00 0.00 176.83 177.08 1jcr h LEU 213 N -0.34 0.75 -0.92 5.97 3.38 -1.32 -2.01 115.31 120.83 1jcr h LEU 213 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jcr h LEU 213 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jcr h LEU 213 CO 0.02 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.38 1jcr n THR 214 N -4.67 0.11 -3.47 0.22 -2.24 -0.66 -4.20 114.28 99.37 1jcr n THR 214 Ca 0.11 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1jcr n THR 214 Cb 0.18 0.32 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1jcr n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jcr n ASN 215 N 0.12 -5.36 -0.07 3.42 5.15 -0.70 -4.88 115.26 112.94 1jcr n ASN 215 Ca 0.17 -0.84 0.02 0.00 -0.60 0.00 0.00 54.58 53.34 1jcr n ASN 215 Cb 0.31 -4.38 0.03 0.00 -0.53 0.00 0.00 39.78 35.21 1jcr n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1jcr n ILE 216 N -3.75 0.88 -2.31 -1.44 -5.35 -0.71 -4.21 119.36 102.46 1jcr n ILE 216 Ca -0.11 -0.96 -0.43 0.00 -0.27 0.00 0.00 62.75 60.98 1jcr n ILE 216 Cb 0.62 0.44 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1jcr n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jcr s ILE 217 N -1.10 3.94 0.62 7.28 1.01 -1.25 -4.82 121.20 126.89 1jcr s ILE 217 Ca 0.07 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 1jcr s ILE 217 Cb 0.06 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1jcr s ILE 217 CO 0.01 -0.52 0.87 0.42 0.00 0.00 0.00 174.94 175.73 1jcr s THR 218 N 4.98 2.46 0.33 2.92 -4.23 -1.26 -5.01 115.64 115.83 1jcr s THR 218 Ca 0.62 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1jcr s THR 218 Cb -0.18 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.06 1jcr s THR 218 CO 0.28 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.67 1jcr h PRO 219 N -0.21 0.90 -0.02 3.99 0.11 -2.02 -3.17 132.00 131.58 1jcr h PRO 219 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jcr h PRO 219 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jcr h PRO 219 CO 0.50 0.59 -0.20 -0.40 -0.21 0.00 0.00 178.00 178.29 1jcr n ASP 220 N -4.46 2.10 -0.17 -2.05 5.75 -1.26 -4.65 116.55 111.82 1jcr n ASP 220 Ca 0.10 -1.55 -0.02 0.00 -0.01 0.00 0.00 54.79 53.31 1jcr n ASP 220 Cb 0.13 0.26 0.06 0.00 -1.03 0.00 0.00 41.12 40.54 1jcr n ASP 220 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1jcr h LEU 221 N 2.73 -0.29 -3.74 -2.12 5.85 -1.95 -2.29 115.31 113.51 1jcr h LEU 221 Ca 0.00 0.13 -0.27 0.00 0.84 0.00 0.00 57.88 58.59 1jcr h LEU 221 Cb 0.68 0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.80 1jcr h LEU 221 CO 0.00 -0.11 0.31 0.49 -0.34 0.00 0.00 178.44 178.80 1jcr n PHE 222 N -5.28 2.41 -1.81 1.25 3.01 -1.26 -4.95 117.46 110.83 1jcr n PHE 222 Ca 0.06 -1.36 -0.42 0.00 1.01 0.00 0.00 57.45 56.74 1jcr n PHE 222 Cb 0.29 -0.71 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 1jcr n PHE 222 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1jcr s GLU 223 N -3.08 4.16 0.00 -1.08 2.12 -0.86 -1.26 118.70 118.70 1jcr s GLU 223 Ca 0.54 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.35 1jcr s GLU 223 Cb 0.44 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1jcr s GLU 223 CO 0.12 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.45 1jcr n GLY 224 N 4.13 2.81 0.21 -1.50 0.00 -1.26 -4.44 105.19 105.14 1jcr n GLY 224 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1jcr n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jcr h THR 225 N 0.00 1.26 -0.72 2.61 2.02 -1.27 -0.87 112.91 115.95 1jcr h THR 225 Ca 0.00 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1jcr h THR 225 Cb 0.00 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1jcr h THR 225 CO 0.00 0.34 0.41 0.00 0.37 0.00 0.00 175.52 176.64 1jcr h ALA 226 N 0.89 1.37 -0.29 6.16 0.00 -1.89 0.60 119.26 126.10 1jcr h ALA 226 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1jcr h ALA 226 Cb 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jcr h ALA 226 CO 0.02 0.53 -0.27 0.93 0.00 0.00 0.00 179.25 180.45 1jcr h GLU 227 N 0.99 0.70 -0.31 0.00 3.07 -1.88 0.02 114.58 117.18 1jcr h GLU 227 Ca 0.26 -0.36 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1jcr h GLU 227 Cb -0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1jcr h GLU 227 CO -0.04 0.98 0.20 2.35 -1.40 0.00 0.00 179.01 181.09 1jcr h TRP 228 N 0.45 0.38 -0.67 4.33 7.01 -0.52 -1.50 115.95 125.43 1jcr h TRP 228 Ca 0.05 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.08 1jcr h TRP 228 Cb 0.84 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.74 1jcr h TRP 228 CO 0.07 0.23 0.43 0.82 -2.79 0.00 0.00 178.44 177.21 1jcr h ILE 229 N 0.41 1.13 -0.35 2.65 2.04 -0.69 -1.88 117.51 120.82 1jcr h ILE 229 Ca 0.12 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1jcr h ILE 229 Cb -0.03 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1jcr h ILE 229 CO -0.03 0.16 0.21 0.00 0.00 0.00 0.00 178.15 178.48 1jcr h ALA 230 N 1.26 1.70 0.00 1.87 0.00 -0.55 0.05 119.26 123.60 1jcr h ALA 230 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jcr h ALA 230 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jcr h ALA 230 CO -0.08 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1jcr h ARG 231 N 0.48 0.00 0.00 0.00 3.08 -0.43 -2.11 114.38 115.40 1jcr h ARG 231 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1jcr h ARG 231 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1jcr h ARG 231 CO -0.02 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.78 1jcr s GLN 233 N -3.16 4.36 0.18 0.00 0.74 -0.80 -1.49 119.66 119.48 1jcr s GLN 233 Ca 0.08 1.93 0.01 0.00 0.05 0.00 0.00 55.36 57.44 1jcr s GLN 233 Cb 0.09 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.87 1jcr s GLN 233 CO 0.65 -0.39 0.09 0.27 -0.55 0.00 0.00 175.29 175.35 1jcr n ASN 234 N 4.19 1.89 0.32 6.67 6.94 -0.75 -4.95 115.26 129.57 1jcr n ASN 234 Ca 0.11 -1.68 0.16 0.00 -0.02 0.00 0.00 54.58 53.15 1jcr n ASN 234 Cb 0.44 0.03 0.87 0.00 -2.36 0.00 0.00 39.78 38.77 1jcr n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1jcr h TRP 235 N 0.74 0.00 0.00 -2.53 5.08 -1.95 -1.14 115.95 116.15 1jcr h TRP 235 Ca -0.13 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.78 1jcr h TRP 235 Cb 0.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.58 1jcr h TRP 235 CO 0.00 0.00 -0.33 0.93 -1.28 0.00 0.00 178.44 177.76 1jcr h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.97 -3.48 114.58 114.34 1jcr h GLU 236 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jcr h GLU 236 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jcr h GLU 236 CO 0.00 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 1jcr n GLY 237 N 1.18 1.82 0.00 -3.84 0.00 -0.43 -4.55 105.19 99.37 1jcr n GLY 237 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jcr n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 238 N -0.07 -0.34 3.19 -0.02 0.00 -1.26 -3.32 105.19 103.37 1jcr n GLY 238 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1jcr n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcr s ILE 239 N -0.35 1.73 0.57 -0.61 1.01 -1.26 -1.81 121.20 120.49 1jcr s ILE 239 Ca 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1jcr s ILE 239 Cb 0.00 -1.48 0.07 0.00 0.01 0.00 0.00 42.46 41.06 1jcr s ILE 239 CO 0.00 0.49 0.79 -0.83 0.00 0.00 0.00 174.94 175.39 1jcr s GLY 240 N 0.04 1.80 0.22 6.18 0.00 -0.56 -1.10 107.32 113.91 1jcr s GLY 240 Ca -0.06 -1.82 -0.08 0.00 0.00 0.00 0.00 44.72 42.76 1jcr s GLY 240 CO 0.04 -1.42 1.81 -1.33 0.00 0.00 0.00 173.10 172.20 1jcr h GLY 241 N 0.09 1.29 -3.17 0.20 0.00 -1.83 -3.44 103.07 96.20 1jcr h GLY 241 Ca -0.35 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.21 1jcr h GLY 241 CO 0.43 0.61 -0.59 -1.34 0.00 0.00 0.00 176.54 175.65 1jcr s VAL 242 N -5.69 0.19 0.13 4.60 -7.23 -1.26 -0.53 120.40 110.60 1jcr s VAL 242 Ca -0.13 -1.66 -0.35 0.00 -1.81 0.00 0.00 61.98 58.03 1jcr s VAL 242 Cb 0.16 -1.54 -0.16 0.00 0.56 0.00 0.00 36.38 35.40 1jcr s VAL 242 CO 0.83 -0.84 1.38 -2.65 -0.31 0.00 0.00 175.10 173.50 1jcr n PRO 243 N 0.04 1.45 0.00 4.82 -0.02 -1.26 -1.76 135.00 138.27 1jcr n PRO 243 Ca -0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1jcr n PRO 243 Cb 0.62 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1jcr n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcr n GLY 244 N 2.64 3.41 3.87 -1.23 0.00 -1.26 -5.04 105.19 107.58 1jcr n GLY 244 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1jcr n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jcr s MET 245 N -0.82 3.78 0.39 1.61 -1.94 -0.72 -5.02 119.30 116.56 1jcr s MET 245 Ca 0.00 0.63 -0.26 0.00 -1.71 0.00 0.00 55.69 54.36 1jcr s MET 245 Cb 0.00 -2.26 -0.11 0.00 2.01 0.00 0.00 34.83 34.47 1jcr s MET 245 CO 0.00 -0.22 1.08 -1.91 -0.01 0.00 0.00 175.02 173.96 1jcr n GLU 246 N -1.73 1.53 -2.19 2.03 2.13 -1.26 -4.09 120.64 117.06 1jcr n GLU 246 Ca 0.04 0.54 -0.42 0.00 0.66 0.00 0.00 57.16 57.99 1jcr n GLU 246 Cb 0.54 -2.09 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 1jcr n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jcr s ALA 247 N -1.20 3.55 -0.01 4.31 0.00 -1.26 -3.96 121.76 123.20 1jcr s ALA 247 Ca 0.61 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.69 1jcr s ALA 247 Cb -0.58 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1jcr s ALA 247 CO 0.58 -0.57 0.02 -1.58 0.00 0.00 0.00 175.76 174.20 1jcr s HIS 248 N 0.40 -0.01 0.24 0.00 2.46 -0.25 -4.64 115.29 113.48 1jcr s HIS 248 Ca 0.59 0.03 -0.05 0.00 0.47 0.00 0.00 55.06 56.10 1jcr s HIS 248 Cb -0.37 -0.00 0.42 0.00 -0.13 0.00 0.00 32.58 32.50 1jcr s HIS 248 CO 0.36 -0.02 1.76 0.78 -2.47 0.00 0.00 174.74 175.15 1jcr h GLY 249 N 6.07 1.15 0.97 1.59 0.00 -1.14 0.17 103.07 111.87 1jcr h GLY 249 Ca -0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1jcr h GLY 249 CO 0.50 -0.02 0.21 -1.33 0.00 0.00 0.00 176.54 175.90 1jcr h GLY 250 N 0.54 0.57 1.60 4.60 0.00 -1.86 -0.31 103.07 108.21 1jcr h GLY 250 Ca 0.39 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 1jcr h GLY 250 CO -0.34 0.25 -0.61 -0.97 0.00 0.00 0.00 176.54 174.87 1jcr h TYR 251 N 0.49 0.53 -0.49 5.60 0.99 -1.71 -2.26 116.97 120.11 1jcr h TYR 251 Ca 0.13 -0.20 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1jcr h TYR 251 Cb 0.05 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.67 1jcr h TYR 251 CO -0.03 0.91 -0.04 1.15 -0.00 0.00 0.00 178.16 180.16 1jcr h THR 252 N 0.30 1.27 -0.07 -2.88 2.02 -0.49 0.20 112.91 113.26 1jcr h THR 252 Ca -0.01 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1jcr h THR 252 Cb 1.14 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1jcr h THR 252 CO 0.10 0.40 0.04 0.15 0.37 0.00 0.00 175.52 176.58 1jcr h PHE 253 N 0.74 0.10 -0.49 3.16 3.57 -0.99 -0.34 116.94 122.69 1jcr h PHE 253 Ca 0.13 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1jcr h PHE 253 Cb 0.57 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1jcr h PHE 253 CO 0.04 0.15 0.15 0.00 -2.23 0.00 0.00 178.31 176.42 1jcr h GLY 255 N 0.31 -0.39 0.92 0.00 0.00 -0.33 -1.40 103.07 102.18 1jcr h GLY 255 Ca 0.24 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1jcr h GLY 255 CO -0.26 -0.14 0.13 -2.00 0.00 0.00 0.00 176.54 174.26 1jcr h LEU 256 N -0.58 0.41 -0.84 3.11 5.85 -0.97 -0.87 115.31 121.42 1jcr h LEU 256 Ca -0.04 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jcr h LEU 256 Cb 0.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1jcr h LEU 256 CO 0.06 0.45 0.55 0.00 -0.34 0.00 0.00 178.44 179.17 1jcr h ALA 257 N 0.97 1.07 -0.45 1.25 0.00 -0.91 0.20 119.26 121.39 1jcr h ALA 257 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jcr h ALA 257 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jcr h ALA 257 CO -0.01 0.45 0.11 0.00 0.00 0.00 0.00 179.25 179.81 1jcr h ALA 258 N 1.32 0.60 -0.55 0.00 0.00 -1.07 -1.24 119.26 118.31 1jcr h ALA 258 Ca 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1jcr h ALA 258 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1jcr h ALA 258 CO -0.08 0.28 0.21 -0.07 0.00 0.00 0.00 179.25 179.60 1jcr h LEU 259 N 0.60 0.73 -0.62 0.00 3.38 -0.33 -0.74 115.31 118.34 1jcr h LEU 259 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1jcr h LEU 259 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jcr h LEU 259 CO 0.00 0.67 0.14 0.58 0.09 0.00 0.00 178.44 179.92 1jcr h VAL 260 N 0.79 1.25 -0.74 1.22 2.07 -0.19 0.18 116.25 120.84 1jcr h VAL 260 Ca 0.19 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1jcr h VAL 260 Cb 0.17 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1jcr h VAL 260 CO -0.02 0.35 0.24 0.40 0.02 0.00 0.00 177.57 178.56 1jcr h ILE 261 N 0.91 1.26 -0.00 4.57 2.04 -0.50 -2.17 117.51 123.62 1jcr h ILE 261 Ca 0.19 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1jcr h ILE 261 Cb 0.37 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1jcr h ILE 261 CO 0.00 0.35 -0.01 0.18 0.00 0.00 0.00 178.15 178.67 1jcr n LEU 262 N -4.27 0.35 -3.64 1.44 4.77 -0.35 -4.92 117.00 110.38 1jcr n LEU 262 Ca 0.06 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1jcr n LEU 262 Cb 0.22 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1jcr n LEU 262 CO 0.42 0.06 0.19 0.29 -1.33 0.00 0.00 177.39 177.01 1jcr n LYS 263 N -0.79 -7.18 -0.65 3.23 5.02 0.36 -4.90 118.16 113.24 1jcr n LYS 263 Ca 0.21 0.78 0.05 0.00 -2.02 0.00 0.00 58.31 57.33 1jcr n LYS 263 Cb 0.19 -5.78 0.11 0.00 -0.02 0.00 0.00 35.03 29.53 1jcr n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jcr n LYS 264 N -4.79 0.83 -0.15 1.97 4.76 0.28 -4.80 118.16 116.26 1jcr n LYS 264 Ca -0.04 -2.37 0.23 0.00 -2.87 0.00 0.00 58.31 53.26 1jcr n LYS 264 Cb 0.58 -1.00 0.64 0.00 -1.84 0.00 0.00 35.03 33.41 1jcr n LYS 264 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1jcr h GLU 265 N 0.54 0.14 -0.04 1.97 3.07 -1.90 0.12 114.58 118.49 1jcr h GLU 265 Ca -0.05 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1jcr h GLU 265 Cb 1.28 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1jcr h GLU 265 CO 0.02 0.09 0.07 0.00 -1.40 0.00 0.00 179.01 177.80 1jcr h ARG 266 N 0.15 0.00 0.00 2.33 3.08 -1.92 -1.60 114.38 116.41 1jcr h ARG 266 Ca 0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 1jcr h ARG 266 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 1jcr h ARG 266 CO -0.06 0.00 -0.00 0.77 -1.07 0.00 0.00 179.97 179.61 1jcr h SER 267 N 0.00 0.00 -2.95 7.04 0.02 -1.14 -3.43 113.55 113.09 1jcr h SER 267 Ca 0.02 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.49 1jcr h SER 267 Cb 0.16 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.72 1jcr h SER 267 CO -0.00 0.00 -0.10 -0.76 -1.14 0.00 0.00 176.83 174.83 1jcr s LEU 268 N -7.25 3.82 -1.07 5.07 1.43 -0.61 -4.92 118.68 115.16 1jcr s LEU 268 Ca -0.05 0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 1jcr s LEU 268 Cb 0.15 -3.38 0.14 0.00 0.03 0.00 0.00 46.19 43.13 1jcr s LEU 268 CO 0.51 -0.48 1.30 0.21 0.23 0.00 0.00 176.35 178.12 1jcr s ASN 269 N -4.11 6.83 0.56 2.29 3.84 -1.26 -4.85 114.94 118.25 1jcr s ASN 269 Ca 0.44 -2.47 0.27 0.00 0.21 0.00 0.00 52.86 51.31 1jcr s ASN 269 Cb -0.10 -2.41 1.51 0.00 -0.55 0.00 0.00 41.25 39.70 1jcr s ASN 269 CO 0.38 -0.94 2.03 -0.07 -2.79 0.00 0.00 177.10 175.71 1jcr h LEU 270 N 10.25 0.00 -0.06 3.21 3.38 -1.90 -2.28 115.31 127.91 1jcr h LEU 270 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1jcr h LEU 270 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1jcr h LEU 270 CO 1.19 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 180.19 1jcr h LYS 271 N 0.00 0.12 0.00 1.13 3.64 -1.98 -0.32 116.57 119.16 1jcr h LYS 271 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1jcr h LYS 271 Cb 0.78 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1jcr h LYS 271 CO -0.00 0.51 -0.44 0.66 -2.27 0.00 0.00 179.45 177.91 1jcr h SER 272 N -0.28 0.00 -0.17 4.20 4.64 -1.80 -1.92 113.55 118.22 1jcr h SER 272 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1jcr h SER 272 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1jcr h SER 272 CO 0.01 0.44 0.02 0.25 -0.87 0.00 0.00 176.83 176.68 1jcr h LEU 273 N 0.00 0.28 -0.71 5.97 5.85 -1.26 -1.04 115.31 124.40 1jcr h LEU 273 Ca -0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1jcr h LEU 273 Cb 0.79 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1jcr h LEU 273 CO 0.06 0.49 0.47 0.25 -0.34 0.00 0.00 178.44 179.36 1jcr h LEU 274 N 0.07 0.81 -0.92 2.25 5.85 -0.83 0.22 115.31 122.76 1jcr h LEU 274 Ca 0.05 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1jcr h LEU 274 Cb 0.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1jcr h LEU 274 CO 0.00 0.59 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.07 1jcr h GLN 275 N 0.96 0.77 0.22 1.25 4.15 -1.23 -2.24 115.11 119.00 1jcr h GLN 275 Ca 0.26 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1jcr h GLN 275 Cb -0.11 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1jcr h GLN 275 CO -0.06 0.79 -0.10 2.35 -1.93 0.00 0.00 178.83 179.88 1jcr h TRP 276 N 0.72 -0.27 -0.78 3.99 7.01 -0.26 -2.78 115.95 123.57 1jcr h TRP 276 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1jcr h TRP 276 Cb 0.46 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 1jcr h TRP 276 CO 0.02 0.08 0.46 -0.24 -2.79 0.00 0.00 178.44 175.97 1jcr h VAL 277 N -0.67 1.22 -0.26 2.65 3.04 -0.95 -2.15 116.25 119.12 1jcr h VAL 277 Ca -0.03 -0.50 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1jcr h VAL 277 Cb 0.47 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1jcr h VAL 277 CO 0.05 0.23 0.03 0.71 -1.01 0.00 0.00 177.57 177.59 1jcr h THR 278 N 1.07 1.14 0.00 3.17 1.35 -1.48 -0.12 112.91 118.04 1jcr h THR 278 Ca 0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1jcr h THR 278 Cb -0.02 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1jcr h THR 278 CO -0.05 0.18 0.00 -1.20 -0.25 0.00 0.00 175.52 174.20 1jcr n SER 279 N -4.36 0.60 0.03 5.36 7.64 -0.83 -2.93 113.62 119.13 1jcr n SER 279 Ca 0.01 0.63 0.13 0.00 1.01 0.00 0.00 58.87 60.65 1jcr n SER 279 Cb 0.18 -0.77 0.53 0.00 -1.01 0.00 0.00 64.21 63.15 1jcr n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jcr n ARG 280 N -2.15 0.08 -2.67 1.43 5.12 -0.06 -4.76 116.66 113.66 1jcr n ARG 280 Ca 0.03 0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 1jcr n ARG 280 Cb 0.25 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1jcr n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1jcr s GLN 281 N -3.04 4.52 -0.17 5.56 0.74 -1.15 -1.26 119.66 124.86 1jcr s GLN 281 Ca 0.12 1.46 -0.29 0.00 0.05 0.00 0.00 55.36 56.70 1jcr s GLN 281 Cb 0.16 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 1jcr s GLN 281 CO 0.53 -0.12 1.20 -1.64 -0.55 0.00 0.00 175.29 174.71 1jcr s MET 282 N 1.18 4.25 0.39 1.67 -1.94 0.10 -4.94 119.30 120.01 1jcr s MET 282 Ca 0.52 1.58 0.09 0.00 -1.71 0.00 0.00 55.69 56.17 1jcr s MET 282 Cb -0.22 -3.72 0.85 0.00 2.01 0.00 0.00 34.83 33.76 1jcr s MET 282 CO 0.27 -0.66 1.98 0.07 -0.01 0.00 0.00 175.02 176.66 1jcr h ARG 283 N 7.94 0.60 0.00 2.03 0.11 -1.89 0.14 114.38 123.32 1jcr h ARG 283 Ca -0.25 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.76 1jcr h ARG 283 Cb 1.10 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.04 1jcr h ARG 283 CO 0.96 0.40 -0.50 0.35 0.10 0.00 0.00 179.97 181.28 1jcr h PHE 284 N 0.62 0.00 -0.45 4.08 3.57 -1.93 -3.40 116.94 119.43 1jcr h PHE 284 Ca 0.28 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1jcr h PHE 284 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1jcr h PHE 284 CO -0.00 0.20 0.07 0.93 -2.23 0.00 0.00 178.31 177.27 1jcr h GLU 285 N -1.00 0.69 0.00 1.11 3.07 -1.91 -3.47 114.58 113.07 1jcr h GLU 285 Ca -0.04 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1jcr h GLU 285 Cb 0.53 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1jcr h GLU 285 CO -0.02 0.66 0.00 0.41 -1.40 0.00 0.00 179.01 178.66 1jcr n GLY 286 N -0.87 3.19 1.37 -3.84 0.00 0.49 -4.47 105.19 101.07 1jcr n GLY 286 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1jcr n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 287 N -1.61 -0.40 3.65 -0.02 0.00 -1.26 -3.40 105.19 102.15 1jcr n GLY 287 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1jcr n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jcr s PHE 288 N -1.55 2.86 0.31 1.61 0.40 -1.26 0.00 117.98 120.35 1jcr s PHE 288 Ca 0.25 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 1jcr s PHE 288 Cb -0.01 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1jcr s PHE 288 CO 0.17 0.48 0.42 1.14 0.70 0.00 0.00 175.22 178.14 1jcr s GLN 289 N -2.55 3.18 0.08 0.44 -2.07 -0.39 -1.41 119.66 116.94 1jcr s GLN 289 Ca 0.25 -0.96 0.11 0.00 -1.82 0.00 0.00 55.36 52.94 1jcr s GLN 289 Cb -0.11 -2.82 -0.18 0.00 -1.09 0.00 0.00 33.01 28.82 1jcr s GLN 289 CO 0.17 0.17 1.04 0.78 -1.32 0.00 0.00 175.29 176.14 1jcr h GLY 290 N 1.00 0.00 -3.10 2.60 0.00 -1.89 -3.46 103.07 98.22 1jcr h GLY 290 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1jcr h GLY 290 CO 0.55 0.00 -0.06 1.09 0.00 0.00 0.00 176.54 178.13 1jcr s ARG 291 N -2.72 1.07 0.26 4.80 1.70 -1.26 -0.60 118.95 122.20 1jcr s ARG 291 Ca -0.01 -0.68 -0.31 0.00 -0.47 0.00 0.00 55.73 54.27 1jcr s ARG 291 Cb 0.09 0.47 -0.13 0.00 -0.57 0.00 0.00 34.95 34.81 1jcr s ARG 291 CO 0.81 -0.42 1.42 0.00 -1.08 0.00 0.00 175.30 176.03 1jcr n ASN 293 N 1.96 -4.42 -2.61 0.00 3.02 -1.26 -5.02 115.26 106.94 1jcr n ASN 293 Ca 0.10 0.18 -0.06 0.00 -0.03 0.00 0.00 54.58 54.77 1jcr n ASN 293 Cb 0.33 -2.55 -0.00 0.00 -0.61 0.00 0.00 39.78 36.95 1jcr n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jcr n LYS 294 N -2.05 1.37 -3.23 3.52 5.02 -0.97 -4.94 118.16 116.88 1jcr n LYS 294 Ca -0.07 -0.75 -0.26 0.00 -2.02 0.00 0.00 58.31 55.21 1jcr n LYS 294 Cb 0.33 0.10 -0.01 0.00 -0.02 0.00 0.00 35.03 35.42 1jcr n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jcr s LEU 295 N 0.00 3.95 0.63 -0.35 1.43 -1.26 -4.88 118.68 118.20 1jcr s LEU 295 Ca 0.06 0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 53.58 1jcr s LEU 295 Cb -0.00 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1jcr s LEU 295 CO 0.04 -0.32 1.18 0.54 0.23 0.00 0.00 176.35 178.01 1jcr s VAL 296 N -2.34 2.75 -0.28 -1.59 0.11 -1.26 -4.03 120.40 113.76 1jcr s VAL 296 Ca 0.42 0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 59.74 1jcr s VAL 296 Cb -0.10 -3.07 0.09 0.00 -1.53 0.00 0.00 36.38 31.76 1jcr s VAL 296 CO 0.36 -0.15 0.68 -0.62 -3.33 0.00 0.00 175.10 172.04 1jcr s ASP 297 N -1.90 -0.96 0.56 3.54 -1.08 -0.50 -4.84 116.67 111.48 1jcr s ASP 297 Ca 0.74 1.51 0.27 0.00 -0.52 0.00 0.00 52.55 54.55 1jcr s ASP 297 Cb -0.27 1.49 1.48 0.00 -1.46 0.00 0.00 42.92 44.16 1jcr s ASP 297 CO 0.36 -0.24 2.01 1.23 0.52 0.00 0.00 175.17 179.05 1jcr h GLY 298 N 7.14 0.00 2.00 2.66 0.00 -0.79 -1.83 103.07 112.24 1jcr h GLY 298 Ca -0.29 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1jcr h GLY 298 CO 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.50 1jcr n TYR 300 N -3.44 0.00 0.25 0.00 0.53 -0.69 -1.47 117.16 112.35 1jcr n TYR 300 Ca -0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.96 1jcr n TYR 300 Cb 0.38 -0.22 0.64 0.00 -1.03 0.00 0.00 39.34 39.11 1jcr n TYR 300 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1jcr h SER 301 N 0.00 0.00 0.00 7.72 0.02 -1.53 -0.93 113.55 118.83 1jcr h SER 301 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jcr h SER 301 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jcr h SER 301 CO 0.00 0.10 -0.89 0.33 -1.14 0.00 0.00 176.83 175.23 1jcr n PHE 302 N -4.17 0.22 -0.25 3.45 7.35 -0.54 -3.72 117.46 119.80 1jcr n PHE 302 Ca -0.03 0.10 0.05 0.00 -0.76 0.00 0.00 57.45 56.81 1jcr n PHE 302 Cb 0.18 -0.57 0.18 0.00 0.35 0.00 0.00 39.48 39.63 1jcr n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1jcr h TRP 303 N -1.00 0.50 0.00 -5.13 4.06 -1.59 0.42 115.95 113.22 1jcr h TRP 303 Ca -0.00 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1jcr h TRP 303 Cb 0.89 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.94 1jcr h TRP 303 CO -0.38 0.06 -0.26 1.96 -3.56 0.00 0.00 178.44 176.26 1jcr h GLN 304 N 0.43 0.00 -0.03 0.49 1.08 -1.42 -3.37 115.11 112.29 1jcr h GLN 304 Ca 0.41 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1jcr h GLN 304 Cb 0.62 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1jcr h GLN 304 CO -0.40 0.10 0.02 0.00 -0.95 0.00 0.00 178.83 177.60 1jcr h ALA 305 N -0.92 1.90 0.00 3.87 0.00 -1.53 -0.93 119.26 121.65 1jcr h ALA 305 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jcr h ALA 305 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jcr h ALA 305 CO -0.01 -0.04 0.00 0.78 0.00 0.00 0.00 179.25 179.98 1jcr h GLY 306 N 0.00 0.00 1.89 0.00 0.00 -0.29 -1.91 103.07 102.77 1jcr h GLY 306 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1jcr h GLY 306 CO -0.00 0.00 -0.49 1.41 0.00 0.00 0.00 176.54 177.46 1jcr h LEU 307 N 0.00 0.13 -0.35 3.11 3.38 -1.33 -3.24 115.31 117.01 1jcr h LEU 307 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1jcr h LEU 307 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jcr h LEU 307 CO 0.00 0.60 0.23 -0.07 0.09 0.00 0.00 178.44 179.28 1jcr h LEU 308 N 0.09 0.40 -1.12 1.67 3.38 -1.50 0.20 115.31 118.44 1jcr h LEU 308 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1jcr h LEU 308 Cb 0.90 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1jcr h LEU 308 CO 0.07 0.30 0.39 -0.65 0.09 0.00 0.00 178.44 178.64 1jcr h PRO 309 N 0.47 1.00 -0.33 1.13 0.11 -1.72 0.95 132.00 133.61 1jcr h PRO 309 Ca 0.13 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1jcr h PRO 309 Cb -0.04 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1jcr h PRO 309 CO -0.03 0.74 0.07 -0.07 -0.21 0.00 0.00 178.00 178.51 1jcr h LEU 310 N 1.00 0.50 -0.72 2.35 3.38 -1.38 -1.91 115.31 118.54 1jcr h LEU 310 Ca 0.25 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1jcr h LEU 310 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jcr h LEU 310 CO -0.04 0.61 -0.19 -0.07 0.09 0.00 0.00 178.44 178.84 1jcr h LEU 311 N 0.37 0.79 -0.05 1.67 3.38 -0.29 -1.25 115.31 119.93 1jcr h LEU 311 Ca 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jcr h LEU 311 Cb 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jcr h LEU 311 CO 0.00 0.97 0.03 -0.74 0.09 0.00 0.00 178.44 178.80 1jcr h HIS 312 N 0.69 0.07 -0.75 1.13 2.76 -0.66 0.96 115.15 119.36 1jcr h HIS 312 Ca 0.10 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1jcr h HIS 312 Cb 0.69 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 1jcr h HIS 312 CO 0.04 0.07 0.31 -0.09 -1.30 0.00 0.00 177.93 176.95 1jcr h ARG 313 N 0.05 1.11 -0.02 5.26 2.43 -1.21 0.61 114.38 122.61 1jcr h ARG 313 Ca 0.02 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1jcr h ARG 313 Cb 0.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1jcr h ARG 313 CO -0.00 0.89 -0.00 0.00 -1.51 0.00 0.00 179.97 179.35 1jcr h ALA 314 N 1.25 0.03 -0.56 2.80 0.00 -0.90 -0.94 119.26 120.94 1jcr h ALA 314 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1jcr h ALA 314 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jcr h ALA 314 CO -0.02 -0.30 0.05 -0.07 0.00 0.00 0.00 179.25 178.91 1jcr h LEU 315 N -0.29 0.89 -0.93 0.00 3.38 -0.72 -2.37 115.31 115.26 1jcr h LEU 315 Ca 0.01 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1jcr h LEU 315 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jcr h LEU 315 CO 0.00 0.92 -0.19 -0.74 0.09 0.00 0.00 178.44 178.52 1jcr h HIS 316 N 0.87 0.63 0.00 1.13 2.76 -0.84 -0.89 115.15 118.80 1jcr h HIS 316 Ca 0.17 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1jcr h HIS 316 Cb 0.44 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1jcr h HIS 316 CO 0.03 0.72 0.00 0.00 -1.30 0.00 0.00 177.93 177.38 1jcr h ALA 317 N 1.29 1.00 -0.40 5.26 0.00 -0.66 0.60 119.26 126.36 1jcr h ALA 317 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jcr h ALA 317 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jcr h ALA 317 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1jcr n GLN 318 N -3.05 2.18 -1.18 0.00 6.02 -0.69 -4.93 117.38 115.73 1jcr n GLN 318 Ca -0.00 -1.81 -0.06 0.00 -0.01 0.00 0.00 57.00 55.12 1jcr n GLN 318 Cb 0.23 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1jcr n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jcr n GLY 319 N 1.34 0.85 3.57 1.08 0.00 0.20 -4.94 105.19 107.29 1jcr n GLY 319 Ca 0.18 -0.72 -0.50 0.00 0.00 0.00 0.00 46.02 44.98 1jcr n GLY 319 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jcr n ASP 320 N 0.89 2.70 0.20 1.61 -0.08 -0.43 -4.83 116.55 116.61 1jcr n ASP 320 Ca -0.06 0.64 0.13 0.00 -1.51 0.00 0.00 54.79 53.98 1jcr n ASP 320 Cb 0.21 -1.32 0.30 0.00 2.34 0.00 0.00 41.12 42.65 1jcr n ASP 320 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jcr h PRO 321 N 11.15 0.00 -0.09 -0.67 0.13 -1.92 -3.31 132.00 137.28 1jcr h PRO 321 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jcr h PRO 321 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1jcr h PRO 321 CO 0.98 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 1jcr n ALA 322 N -2.03 2.56 -2.17 -0.56 0.00 -1.26 -4.94 120.51 112.11 1jcr n ALA 322 Ca 0.04 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1jcr n ALA 322 Cb 0.47 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1jcr n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jcr s LEU 323 N -1.71 4.36 0.71 0.00 1.43 -1.25 -4.98 118.68 117.23 1jcr s LEU 323 Ca 0.34 2.29 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 1jcr s LEU 323 Cb 0.18 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1jcr s LEU 323 CO 0.28 -0.68 0.96 -0.24 0.23 0.00 0.00 176.35 176.91 1jcr n SER 324 N 4.33 0.49 -0.58 2.29 2.88 -1.26 -4.92 113.62 116.85 1jcr n SER 324 Ca 0.12 0.68 0.07 0.00 -1.33 0.00 0.00 58.87 58.41 1jcr n SER 324 Cb 0.42 -1.40 0.18 0.00 -0.75 0.00 0.00 64.21 62.66 1jcr n SER 324 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1jcr n MET 325 N -1.74 2.63 0.00 -1.46 2.81 -1.26 -4.65 117.12 113.46 1jcr n MET 325 Ca 0.13 -2.43 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 1jcr n MET 325 Cb 0.49 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1jcr n MET 325 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1jcr n SER 326 N -0.40 0.00 -4.02 7.83 3.41 -1.26 -4.72 113.62 114.47 1jcr n SER 326 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1jcr n SER 326 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1jcr n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jcr s HIS 327 N 0.00 0.38 0.62 7.33 3.76 -1.26 -4.66 115.29 121.46 1jcr s HIS 327 Ca 0.00 -0.84 -0.08 0.00 -0.15 0.00 0.00 55.06 54.00 1jcr s HIS 327 Cb 0.00 -0.28 0.01 0.00 1.11 0.00 0.00 32.58 33.42 1jcr s HIS 327 CO 0.00 -0.38 0.95 -1.58 -0.85 0.00 0.00 174.74 172.89 1jcr s TRP 328 N -3.38 3.31 -0.10 1.40 0.23 -1.26 -4.70 118.94 114.44 1jcr s TRP 328 Ca 0.02 0.79 -0.04 0.00 -2.03 0.00 0.00 56.10 54.84 1jcr s TRP 328 Cb 0.04 -2.80 -0.13 0.00 0.03 0.00 0.00 33.47 30.61 1jcr s TRP 328 CO -0.08 -0.88 3.06 -1.33 0.96 0.00 0.00 176.95 178.68 1jcr n MET 329 N -2.69 1.86 -3.86 4.98 2.81 -1.26 -4.77 117.12 114.18 1jcr n MET 329 Ca 0.05 -1.07 -0.09 0.00 -1.81 0.00 0.00 57.70 54.78 1jcr n MET 329 Cb 0.57 -1.80 -0.07 0.00 -0.71 0.00 0.00 33.22 31.21 1jcr n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1jcr s PHE 330 N 0.16 0.19 -0.99 2.03 -0.12 -1.26 -4.83 117.98 113.17 1jcr s PHE 330 Ca 0.50 -0.57 -0.23 0.00 -0.05 0.00 0.00 56.93 56.57 1jcr s PHE 330 Cb 0.26 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1jcr s PHE 330 CO -0.04 -0.66 1.66 -1.58 -0.05 0.00 0.00 175.22 174.55 1jcr s HIS 331 N -3.90 2.25 0.21 3.49 5.65 -1.26 -4.83 115.29 116.89 1jcr s HIS 331 Ca 0.10 -0.27 -0.09 0.00 0.25 0.00 0.00 55.06 55.06 1jcr s HIS 331 Cb 0.03 -4.43 0.26 0.00 -1.18 0.00 0.00 32.58 27.26 1jcr s HIS 331 CO -0.06 -1.84 1.79 1.96 -0.65 0.00 0.00 174.74 175.93 1jcr h GLN 332 N 10.30 0.58 0.08 2.88 4.20 -1.89 -2.05 115.11 129.21 1jcr h GLN 332 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1jcr h GLN 332 Cb 1.00 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1jcr h GLN 332 CO 1.34 0.38 -0.04 0.37 -0.67 0.00 0.00 178.83 180.21 1jcr h GLN 333 N 0.59 -0.10 -0.72 1.46 4.15 -1.88 -1.93 115.11 116.68 1jcr h GLN 333 Ca 0.31 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1jcr h GLN 333 Cb 0.26 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1jcr h GLN 333 CO -0.22 -0.07 0.40 0.00 -1.93 0.00 0.00 178.83 177.01 1jcr h ALA 334 N 0.81 1.34 -0.17 3.38 0.00 -1.83 0.02 119.26 122.82 1jcr h ALA 334 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jcr h ALA 334 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jcr h ALA 334 CO 0.02 0.54 0.03 1.25 0.00 0.00 0.00 179.25 181.09 1jcr h LEU 335 N 1.00 0.27 -0.95 0.00 5.85 -1.21 -0.31 115.31 119.95 1jcr h LEU 335 Ca 0.26 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1jcr h LEU 335 Cb 0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1jcr h LEU 335 CO -0.04 0.45 0.62 1.56 -0.34 0.00 0.00 178.44 180.69 1jcr h GLN 336 N 0.07 1.18 -0.46 1.25 4.20 -0.89 -0.65 115.11 119.81 1jcr h GLN 336 Ca 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jcr h GLN 336 Cb 0.30 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1jcr h GLN 336 CO 0.00 0.78 0.22 0.93 -0.67 0.00 0.00 178.83 180.09 1jcr h GLU 337 N 1.22 0.67 -0.02 1.46 5.08 -0.75 0.25 114.58 122.48 1jcr h GLU 337 Ca 0.37 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1jcr h GLU 337 Cb -0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1jcr h GLU 337 CO -0.11 0.58 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.54 1jcr h TYR 338 N 0.60 -0.03 0.23 4.33 3.20 -0.30 -0.51 116.97 124.50 1jcr h TYR 338 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1jcr h TYR 338 Cb 0.13 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1jcr h TYR 338 CO -0.01 -0.02 -0.11 0.82 -1.64 0.00 0.00 178.16 177.20 1jcr h ILE 339 N -0.02 0.80 -0.58 1.81 2.04 -0.93 0.56 117.51 121.20 1jcr h ILE 339 Ca 0.01 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1jcr h ILE 339 Cb 0.04 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1jcr h ILE 339 CO -0.03 0.04 0.15 -0.07 0.00 0.00 0.00 178.15 178.24 1jcr h LEU 340 N -0.41 0.88 0.08 1.44 3.38 -0.89 -1.18 115.31 118.61 1jcr h LEU 340 Ca -0.03 -0.23 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 1jcr h LEU 340 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jcr h LEU 340 CO 0.05 0.88 -1.38 0.24 0.09 0.00 0.00 178.44 178.32 1jcr h MET 341 N 0.83 0.17 0.00 1.13 2.86 -1.12 -3.41 114.93 115.40 1jcr h MET 341 Ca 0.18 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1jcr h MET 341 Cb 0.34 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1jcr h MET 341 CO 0.00 1.04 -1.26 0.00 1.06 0.00 0.00 176.91 177.75 1jcr s GLN 344 N -1.19 3.88 -0.04 0.00 -0.21 -1.24 -0.07 119.66 120.79 1jcr s GLN 344 Ca 0.34 -0.30 -0.22 0.00 0.02 0.00 0.00 55.36 55.20 1jcr s GLN 344 Cb 0.19 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 1jcr s GLN 344 CO 0.21 0.37 0.64 0.00 -2.12 0.00 0.00 175.29 174.39 1jcr h PRO 346 N 6.21 0.58 -0.00 0.00 0.11 -1.98 -0.62 132.00 136.30 1jcr h PRO 346 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jcr h PRO 346 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jcr h PRO 346 CO 0.73 0.38 -0.01 0.00 -0.21 0.00 0.00 178.00 178.89 1jcr n ALA 347 N -2.48 2.65 0.00 -0.75 0.00 -1.26 -4.97 120.51 113.70 1jcr n ALA 347 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jcr n ALA 347 Cb 0.37 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1jcr n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcr n GLY 348 N 1.10 2.97 0.00 0.00 0.00 -0.24 -4.79 105.19 104.23 1jcr n GLY 348 Ca 0.21 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1jcr n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcr n GLY 349 N -0.05 -0.62 3.67 -0.02 0.00 -1.26 -4.49 105.19 102.42 1jcr n GLY 349 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1jcr n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcr s LEU 350 N -2.04 3.02 0.27 0.99 1.02 -1.26 -0.94 118.68 119.73 1jcr s LEU 350 Ca 0.00 -1.10 0.01 0.00 0.02 0.00 0.00 54.13 53.06 1jcr s LEU 350 Cb 0.00 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 1jcr s LEU 350 CO 0.00 -0.40 0.25 -1.48 0.02 0.00 0.00 176.35 174.73 1jcr s LEU 351 N -3.79 1.31 0.02 1.79 0.05 0.90 -3.30 118.68 115.67 1jcr s LEU 351 Ca 0.37 -1.51 -0.20 0.00 0.05 0.00 0.00 54.13 52.84 1jcr s LEU 351 Cb 0.04 0.65 -0.11 0.00 -2.05 0.00 0.00 46.19 44.72 1jcr s LEU 351 CO 0.20 -0.99 1.14 -0.78 -0.55 0.00 0.00 176.35 175.37 1jcr h ASP 352 N 2.36 -0.61 -5.06 1.48 1.82 -1.87 -3.37 116.42 111.16 1jcr h ASP 352 Ca -0.30 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1jcr h ASP 352 Cb 1.24 0.16 -0.08 0.00 0.68 0.00 0.00 39.33 41.33 1jcr h ASP 352 CO 0.44 -0.39 0.12 -1.59 -1.61 0.00 0.00 179.24 176.21 1jcr s LYS 353 N -4.30 1.56 0.23 0.28 -2.85 -1.26 -0.25 119.74 113.14 1jcr s LYS 353 Ca -0.10 -0.91 -0.32 0.00 -1.00 0.00 0.00 55.97 53.63 1jcr s LYS 353 Cb 0.01 0.56 -0.13 0.00 -2.06 0.00 0.00 37.83 36.21 1jcr s LYS 353 CO 0.31 -0.69 1.48 -2.30 0.10 0.00 0.00 175.35 174.26 1jcr n PRO 354 N -0.40 2.16 0.00 1.78 -0.02 -1.24 -1.31 135.00 135.98 1jcr n PRO 354 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1jcr n PRO 354 Cb 0.61 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1jcr n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcr n GLY 355 N 2.52 2.95 3.90 -1.23 0.00 -1.26 -5.06 105.19 107.01 1jcr n GLY 355 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jcr n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jcr s LYS 356 N -0.76 3.67 0.28 1.61 -0.14 -0.43 -5.09 119.74 118.88 1jcr s LYS 356 Ca 0.00 0.08 -0.11 0.00 -1.36 0.00 0.00 55.97 54.58 1jcr s LYS 356 Cb 0.00 -2.64 -0.07 0.00 -1.68 0.00 0.00 37.83 33.43 1jcr s LYS 356 CO 0.00 0.23 0.62 -1.54 -0.76 0.00 0.00 175.35 173.91 1jcr s SER 357 N -2.98 6.64 0.77 2.83 1.04 -1.26 -4.85 113.70 115.88 1jcr s SER 357 Ca 0.45 1.02 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 1jcr s SER 357 Cb -0.11 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.80 1jcr s SER 357 CO 0.28 -0.16 1.11 0.00 0.98 0.00 0.00 173.24 175.45 1jcr s ARG 358 N -3.05 2.17 0.06 4.02 1.70 -1.26 -4.69 118.95 117.89 1jcr s ARG 358 Ca 0.49 1.29 -0.26 0.00 -0.47 0.00 0.00 55.73 56.78 1jcr s ARG 358 Cb -0.11 -1.88 0.09 0.00 -0.57 0.00 0.00 34.95 32.48 1jcr s ARG 358 CO 0.22 -1.73 0.76 0.16 -1.08 0.00 0.00 175.30 173.64 1jcr s ASP 359 N -3.08 -0.46 0.44 -2.89 1.47 -1.21 -5.03 116.67 105.91 1jcr s ASP 359 Ca 0.64 0.04 0.17 0.00 1.18 0.00 0.00 52.55 54.58 1jcr s ASP 359 Cb -0.19 0.48 1.00 0.00 -0.34 0.00 0.00 42.92 43.87 1jcr s ASP 359 CO 0.53 -0.76 1.95 -0.26 0.68 0.00 0.00 175.17 177.31 1jcr h PHE 360 N 2.05 0.00 0.04 2.11 -1.00 -1.97 -1.57 116.94 116.60 1jcr h PHE 360 Ca -0.27 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.51 1jcr h PHE 360 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1jcr h PHE 360 CO 0.25 0.24 -0.02 -0.92 -1.61 0.00 0.00 178.31 176.25 1jcr h TYR 361 N 0.00 -0.05 0.00 -0.55 3.20 -1.95 -0.63 116.97 116.99 1jcr h TYR 361 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1jcr h TYR 361 Cb 0.46 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1jcr h TYR 361 CO 0.00 0.21 -0.34 0.45 -1.64 0.00 0.00 178.16 176.84 1jcr h HIS 362 N -0.30 0.00 -0.25 -3.82 3.86 -1.78 -1.74 115.15 111.12 1jcr h HIS 362 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1jcr h HIS 362 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1jcr h HIS 362 CO 0.01 0.34 -0.00 1.15 0.86 0.00 0.00 177.93 180.29 1jcr h THR 363 N 0.00 1.26 -0.18 2.45 2.02 -1.00 -0.52 112.91 116.93 1jcr h THR 363 Ca -0.00 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1jcr h THR 363 Cb 0.75 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1jcr h THR 363 CO 0.04 0.28 0.09 0.00 0.37 0.00 0.00 175.52 176.30 1jcr h TYR 365 N 0.17 0.26 -0.37 0.00 -1.99 -1.29 -0.94 116.97 112.81 1jcr h TYR 365 Ca 0.06 -0.16 -0.07 0.00 2.00 0.00 0.00 58.73 60.56 1jcr h TYR 365 Cb 0.12 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1jcr h TYR 365 CO -0.02 1.03 -0.05 0.00 -0.00 0.00 0.00 178.16 179.11 1jcr h LEU 367 N 0.50 0.69 -0.47 0.00 3.38 -1.47 0.68 115.31 118.62 1jcr h LEU 367 Ca 0.10 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1jcr h LEU 367 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jcr h LEU 367 CO 0.03 0.78 0.27 0.28 0.09 0.00 0.00 178.44 179.89 1jcr h SER 368 N 0.58 0.43 -0.48 -0.43 0.02 -1.08 -0.84 113.55 111.74 1jcr h SER 368 Ca 0.13 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1jcr h SER 368 Cb 0.38 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jcr h SER 368 CO 0.01 0.31 0.03 1.23 -1.14 0.00 0.00 176.83 177.26 1jcr h GLY 369 N 0.54 0.96 0.97 -3.77 0.00 -0.84 -1.74 103.07 99.20 1jcr h GLY 369 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1jcr h GLY 369 CO -0.10 0.60 0.21 -2.00 0.00 0.00 0.00 176.54 175.26 1jcr h LEU 370 N 0.83 0.49 -0.40 3.11 5.85 -0.18 -1.31 115.31 123.70 1jcr h LEU 370 Ca 0.16 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1jcr h LEU 370 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1jcr h LEU 370 CO 0.02 0.44 0.22 -1.28 -0.34 0.00 0.00 178.44 177.50 1jcr h SER 371 N 0.50 0.35 -0.27 1.25 0.87 -0.85 -0.85 113.55 114.55 1jcr h SER 371 Ca 0.14 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1jcr h SER 371 Cb 0.06 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1jcr h SER 371 CO -0.02 0.25 -0.01 0.40 -0.53 0.00 0.00 176.83 176.92 1jcr h ILE 372 N 0.45 0.79 0.00 2.23 1.08 -1.05 -1.34 117.51 119.67 1jcr h ILE 372 Ca 0.16 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1jcr h ILE 372 Cb 0.03 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1jcr h ILE 372 CO -0.09 0.01 -0.17 0.00 -0.69 0.00 0.00 178.15 177.22 1jcr h ALA 373 N 1.24 1.70 0.00 1.87 0.00 -0.77 -2.77 119.26 120.53 1jcr h ALA 373 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1jcr h ALA 373 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jcr h ALA 373 CO -0.23 0.21 -0.84 1.96 0.00 0.00 0.00 179.25 180.35 1jcr h GLN 374 N 0.00 0.00 -5.08 0.00 4.20 -0.63 -3.43 115.11 110.18 1jcr h GLN 374 Ca -0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1jcr h GLN 374 Cb 0.30 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.73 1jcr h GLN 374 CO 0.02 0.48 -0.86 -1.01 -0.67 0.00 0.00 178.83 176.79 1jcr s HIS 375 N -2.93 2.59 -0.14 2.96 3.76 -0.56 -1.55 115.29 119.42 1jcr s HIS 375 Ca 0.02 -1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 53.53 1jcr s HIS 375 Cb 0.08 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1jcr s HIS 375 CO 0.77 -0.65 -0.07 0.12 -0.85 0.00 0.00 174.74 174.06 1jcr s PHE 376 N 1.00 2.95 -0.06 1.40 5.36 -0.42 -4.80 117.98 123.41 1jcr s PHE 376 Ca -0.03 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.51 1jcr s PHE 376 Cb -0.15 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1jcr s PHE 376 CO -0.05 -0.08 0.14 0.20 -1.46 0.00 0.00 175.22 173.96 1jcr s GLY 377 N 0.33 -0.03 -0.44 13.12 0.00 -1.26 -1.24 107.32 117.80 1jcr s GLY 377 Ca -0.06 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.36 1jcr s GLY 377 CO 0.04 0.93 0.63 -1.26 0.00 0.00 0.00 173.10 173.43 1jcr n SER 378 N 4.11 -1.20 0.00 1.64 2.88 -0.51 -5.03 113.62 115.52 1jcr n SER 378 Ca -0.25 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.43 1jcr n SER 378 Cb 0.52 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1jcr n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jcr n GLY 379 N 1.82 2.03 0.16 0.46 0.00 -1.26 -3.27 105.19 105.13 1jcr n GLY 379 Ca 0.18 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1jcr n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcr h ALA 380 N -0.07 0.91 -2.57 4.61 0.00 -2.03 -3.44 119.26 116.68 1jcr h ALA 380 Ca 0.00 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 53.96 1jcr h ALA 380 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jcr h ALA 380 CO 0.00 0.59 0.47 -1.64 0.00 0.00 0.00 179.25 178.67 1jcr s MET 381 N -3.48 4.57 -0.08 0.00 1.00 -1.20 -5.05 119.30 115.06 1jcr s MET 381 Ca 0.00 1.65 -0.03 0.00 0.00 0.00 0.00 55.69 57.31 1jcr s MET 381 Cb 0.11 -3.33 0.05 0.00 0.00 0.00 0.00 34.83 31.65 1jcr s MET 381 CO 0.72 0.00 0.17 -0.51 0.00 0.00 0.00 175.02 175.40 1jcr s LEU 382 N 0.19 0.24 -0.06 -0.03 1.43 -1.26 -1.42 118.68 117.76 1jcr s LEU 382 Ca 0.51 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1jcr s LEU 382 Cb -0.27 0.37 0.04 0.00 0.03 0.00 0.00 46.19 46.35 1jcr s LEU 382 CO 0.32 -0.20 0.13 -2.28 0.23 0.00 0.00 176.35 174.55 1jcr s HIS 383 N 1.81 -0.13 0.16 0.29 2.46 -0.37 -5.01 115.29 114.50 1jcr s HIS 383 Ca -0.03 0.46 0.05 0.00 0.47 0.00 0.00 55.06 56.01 1jcr s HIS 383 Cb -0.12 -0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.12 1jcr s HIS 383 CO -0.06 -0.19 0.16 -0.51 -2.47 0.00 0.00 174.74 171.67 1jcr s ASP 384 N 1.55 5.65 -0.16 9.88 -0.00 -1.26 -1.30 116.67 131.02 1jcr s ASP 384 Ca -0.05 -0.08 -0.05 0.00 -0.00 0.00 0.00 52.55 52.37 1jcr s ASP 384 Cb -0.12 -1.51 0.06 0.00 -0.00 0.00 0.00 42.92 41.34 1jcr s ASP 384 CO -0.05 0.06 0.09 -0.69 -0.00 0.00 0.00 175.17 174.58 1jcr s VAL 385 N -1.75 -0.10 -0.42 -1.27 1.01 -0.59 -5.02 120.40 112.26 1jcr s VAL 385 Ca 0.31 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1jcr s VAL 385 Cb -0.10 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.87 1jcr s VAL 385 CO 0.24 -0.23 0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1jcr s VAL 386 N 2.15 2.54 0.51 2.92 1.01 -1.26 -4.11 120.40 124.16 1jcr s VAL 386 Ca 0.02 -2.68 -0.21 0.00 0.00 0.00 0.00 61.98 59.11 1jcr s VAL 386 Cb -0.16 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1jcr s VAL 386 CO -0.08 -0.69 1.20 -0.04 0.00 0.00 0.00 175.10 175.49 1jcr s MET 387 N 0.47 3.43 2.56 2.72 -1.94 -1.26 -4.79 119.30 120.49 1jcr s MET 387 Ca 0.13 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.95 1jcr s MET 387 Cb -0.22 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.40 1jcr s MET 387 CO -0.05 -0.84 0.00 0.41 -0.01 0.00 0.00 175.02 174.53 1jcr n GLY 388 N 0.46 -0.59 3.76 -0.03 0.00 -1.26 -4.84 105.19 102.69 1jcr n GLY 388 Ca 0.10 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1jcr n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jcr s VAL 389 N 0.00 2.31 0.51 1.61 -7.23 -0.93 -4.90 120.40 111.77 1jcr s VAL 389 Ca 0.00 0.25 0.24 0.00 -1.81 0.00 0.00 61.98 60.66 1jcr s VAL 389 Cb 0.00 -3.14 0.39 0.00 0.56 0.00 0.00 36.38 34.19 1jcr s VAL 389 CO 0.00 0.02 1.98 -0.65 -0.31 0.00 0.00 175.10 176.13 1jcr h PRO 390 N 2.03 0.07 0.00 4.82 0.11 -1.88 -1.25 132.00 135.91 1jcr h PRO 390 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jcr h PRO 390 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jcr h PRO 390 CO 0.60 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 1jcr n GLU 391 N -4.39 0.17 0.29 1.05 4.71 -1.26 -2.46 120.64 118.75 1jcr n GLU 391 Ca 0.11 0.52 0.16 0.00 -0.01 0.00 0.00 57.16 57.94 1jcr n GLU 391 Cb 0.61 -1.91 0.87 0.00 -1.01 0.00 0.00 31.44 30.00 1jcr n GLU 391 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1jcr h ASN 392 N 0.00 0.00 -2.65 1.62 2.35 -1.55 -3.45 115.58 111.90 1jcr h ASN 392 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1jcr h ASN 392 Cb 0.20 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.63 1jcr h ASN 392 CO 0.00 0.05 0.92 0.55 -1.65 0.00 0.00 177.43 177.30 1jcr n VAL 393 N -3.56 0.20 -3.57 2.81 3.14 -1.03 -4.96 118.33 111.37 1jcr n VAL 393 Ca -0.02 -0.05 -0.21 0.00 -2.96 0.00 0.00 64.34 61.10 1jcr n VAL 393 Cb 0.17 -1.84 -0.03 0.00 -1.06 0.00 0.00 33.84 31.07 1jcr n VAL 393 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1jcr s LEU 394 N 0.81 3.38 0.42 6.55 1.43 -1.26 -5.02 118.68 124.98 1jcr s LEU 394 Ca 0.74 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.85 1jcr s LEU 394 Cb -0.56 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.55 1jcr s LEU 394 CO 0.37 -0.67 1.10 -1.10 0.23 0.00 0.00 176.35 176.28 1jcr s GLN 395 N -4.14 4.00 0.78 1.70 -1.52 -0.17 -5.00 119.66 115.31 1jcr s GLN 395 Ca 0.48 1.63 -0.12 0.00 -1.95 0.00 0.00 55.36 55.40 1jcr s GLN 395 Cb -0.03 -2.49 0.06 0.00 -0.22 0.00 0.00 33.01 30.33 1jcr s GLN 395 CO 0.28 -0.31 1.12 -1.25 -0.25 0.00 0.00 175.29 174.88 1jcr s PRO 396 N -2.57 2.07 0.04 2.91 0.04 -1.26 -4.81 135.00 131.43 1jcr s PRO 396 Ca 0.60 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1jcr s PRO 396 Cb -0.25 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1jcr s PRO 396 CO 0.31 -1.81 -0.18 -0.08 0.04 0.00 0.00 177.00 175.28 1jcr s THR 397 N -2.64 1.41 -0.07 1.26 -1.32 -1.26 -4.40 115.64 108.61 1jcr s THR 397 Ca 0.65 -1.12 -0.30 0.00 -1.21 0.00 0.00 61.69 59.71 1jcr s THR 397 Cb -0.20 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 1jcr s THR 397 CO 0.52 0.10 1.21 -2.28 -2.21 0.00 0.00 174.62 171.97 1jcr s HIS 398 N -0.84 3.13 0.01 9.09 2.46 0.28 -4.80 115.29 124.63 1jcr s HIS 398 Ca 0.05 1.17 0.30 0.00 0.47 0.00 0.00 55.06 57.05 1jcr s HIS 398 Cb -0.08 -3.44 1.50 0.00 -0.13 0.00 0.00 32.58 30.42 1jcr s HIS 398 CO 0.02 -1.40 1.90 -1.00 -2.47 0.00 0.00 174.74 171.79 1jcr h PRO 399 N 7.58 0.00 0.01 2.88 0.13 -1.92 0.24 132.00 140.92 1jcr h PRO 399 Ca -0.33 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.51 1jcr h PRO 399 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1jcr h PRO 399 CO 0.89 0.00 -1.61 0.28 -0.23 0.00 0.00 178.00 177.34 1jcr n VAL 400 N -2.57 1.55 0.05 1.56 0.31 -1.26 -4.64 118.33 113.33 1jcr n VAL 400 Ca -0.01 -0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1jcr n VAL 400 Cb 0.11 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 1jcr n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1jcr n TYR 401 N -4.30 0.53 -3.56 3.52 4.02 -1.17 -4.99 117.16 111.21 1jcr n TYR 401 Ca -0.37 0.16 -0.21 0.00 -0.01 0.00 0.00 57.90 57.47 1jcr n TYR 401 Cb 0.76 -0.76 0.07 0.00 -0.02 0.00 0.00 39.34 39.39 1jcr n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jcr n ASN 402 N -2.50 -3.45 -4.13 7.72 5.15 0.85 -5.01 115.26 113.89 1jcr n ASN 402 Ca -0.02 -0.64 -0.09 0.00 -0.60 0.00 0.00 54.58 53.23 1jcr n ASN 402 Cb 0.57 -4.86 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 1jcr n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1jcr s ILE 403 N -3.39 0.12 0.24 -1.44 -4.36 -1.26 -4.89 121.20 106.24 1jcr s ILE 403 Ca 0.23 -1.89 -0.31 0.00 -0.26 0.00 0.00 60.65 58.42 1jcr s ILE 403 Cb -0.10 -1.94 -0.13 0.00 1.25 0.00 0.00 42.46 41.53 1jcr s ILE 403 CO 0.75 -0.57 1.38 0.61 0.24 0.00 0.00 174.94 177.35 1jcr n GLY 404 N -0.05 0.70 0.39 6.27 0.00 -1.26 -0.55 105.19 110.68 1jcr n GLY 404 Ca -0.07 0.48 0.19 0.00 0.00 0.00 0.00 46.02 46.62 1jcr n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jcr h PRO 405 N 4.02 0.17 -0.16 1.61 0.11 -1.87 0.25 132.00 136.13 1jcr h PRO 405 Ca -0.45 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1jcr h PRO 405 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1jcr h PRO 405 CO 0.74 0.11 -0.48 0.38 -0.21 0.00 0.00 178.00 178.54 1jcr h ASP 406 N 0.18 0.46 -0.12 -2.05 2.03 -1.94 -1.43 116.42 113.56 1jcr h ASP 406 Ca 0.32 -0.23 -0.17 0.00 -0.73 0.00 0.00 57.03 56.23 1jcr h ASP 406 Cb 1.02 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1jcr h ASP 406 CO -0.05 0.87 -0.54 0.11 -1.03 0.00 0.00 179.24 178.60 1jcr h LYS 407 N 0.34 0.70 0.55 4.15 1.79 -0.88 -0.19 116.57 123.03 1jcr h LYS 407 Ca 0.02 -0.44 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 1jcr h LYS 407 Cb 0.98 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1jcr h LYS 407 CO 0.09 1.06 -0.26 0.28 -1.08 0.00 0.00 179.45 179.53 1jcr h VAL 408 N 0.54 0.45 -0.07 0.50 2.07 -1.04 -0.35 116.25 118.37 1jcr h VAL 408 Ca 0.01 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1jcr h VAL 408 Cb 1.11 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1jcr h VAL 408 CO 0.11 0.01 -0.12 0.40 0.02 0.00 0.00 177.57 177.99 1jcr h ILE 409 N -0.79 0.68 -0.26 4.57 2.04 -1.23 -0.11 117.51 122.41 1jcr h ILE 409 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1jcr h ILE 409 Cb 0.59 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1jcr h ILE 409 CO 0.12 0.00 -0.02 -0.61 0.00 0.00 0.00 178.15 177.64 1jcr h GLN 410 N -0.17 0.05 0.42 2.37 4.15 -0.96 -0.67 115.11 120.29 1jcr h GLN 410 Ca 0.07 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1jcr h GLN 410 Cb 0.27 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1jcr h GLN 410 CO -0.17 0.03 -0.20 0.00 -1.93 0.00 0.00 178.83 176.56 1jcr h ALA 411 N 1.24 -0.56 -0.51 3.38 0.00 -0.73 -1.14 119.26 120.94 1jcr h ALA 411 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jcr h ALA 411 Cb 0.17 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1jcr h ALA 411 CO -0.23 -0.78 0.21 1.79 0.00 0.00 0.00 179.25 180.24 1jcr h THR 412 N -0.63 0.86 -0.22 0.00 1.35 -0.82 -0.19 112.91 113.26 1jcr h THR 412 Ca -0.06 -0.14 0.04 0.00 -0.55 0.00 0.00 66.41 65.70 1jcr h THR 412 Cb 0.47 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1jcr h THR 412 CO 0.09 0.07 0.01 0.74 -0.25 0.00 0.00 175.52 176.19 1jcr h THR 413 N 0.40 0.86 -0.39 6.82 2.02 -1.06 0.61 112.91 122.17 1jcr h THR 413 Ca 0.24 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1jcr h THR 413 Cb 0.23 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1jcr h THR 413 CO -0.22 0.02 0.24 -0.74 0.37 0.00 0.00 175.52 175.18 1jcr h HIS 414 N 0.08 0.44 0.00 3.16 6.17 -0.33 -2.36 115.15 122.32 1jcr h HIS 414 Ca 0.10 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1jcr h HIS 414 Cb 0.12 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 29.91 1jcr h HIS 414 CO -0.18 0.27 0.00 0.74 0.71 0.00 0.00 177.93 179.47 1jcr h PHE 415 N 0.48 0.00 0.00 5.26 -1.00 -0.57 -2.36 116.94 118.74 1jcr h PHE 415 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1jcr h PHE 415 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1jcr h PHE 415 CO -0.07 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.91 1jcr n LEU 416 N -2.89 0.30 0.17 1.54 4.77 0.16 -2.05 117.00 119.00 1jcr n LEU 416 Ca 0.02 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 1jcr n LEU 416 Cb 0.34 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.16 1jcr n LEU 416 CO 0.27 -0.27 0.59 1.56 -1.33 0.00 0.00 177.39 178.21 1jcr h GLN 417 N 0.00 0.00 -6.54 3.23 4.20 -1.40 -3.44 115.11 111.15 1jcr h GLN 417 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1jcr h GLN 417 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1jcr h GLN 417 CO 0.00 0.44 -0.10 0.15 -0.67 0.00 0.00 178.83 178.64 1jcr s LYS 418 N -3.35 3.65 0.30 1.46 3.01 -0.87 -5.08 119.74 118.85 1jcr s LYS 418 Ca 0.01 0.07 -0.11 0.00 -1.01 0.00 0.00 55.97 54.93 1jcr s LYS 418 Cb 0.10 -2.61 -0.08 0.00 -1.01 0.00 0.00 37.83 34.23 1jcr s LYS 418 CO 0.71 0.17 0.66 -1.25 0.51 0.00 0.00 175.35 176.15 1jcr s PRO 419 N -3.61 3.86 0.13 -1.68 0.04 -1.26 -5.00 135.00 127.48 1jcr s PRO 419 Ca 0.45 0.44 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 1jcr s PRO 419 Cb -0.11 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.81 1jcr s PRO 419 CO 0.30 0.19 1.84 0.08 0.04 0.00 0.00 177.00 179.46 1jcr s VAL 420 N -1.99 2.48 -0.22 -0.36 1.01 -1.26 -4.82 120.40 115.24 1jcr s VAL 420 Ca 0.50 0.01 -0.43 0.00 0.00 0.00 0.00 61.98 62.07 1jcr s VAL 420 Cb -0.11 -3.01 -0.20 0.00 0.00 0.00 0.00 36.38 33.07 1jcr s VAL 420 CO 0.22 0.00 1.29 -2.65 0.00 0.00 0.00 175.10 173.96 1jcr n PRO 421 N 5.65 0.00 0.00 2.72 -0.02 -1.26 -0.55 135.00 141.54 1jcr n PRO 421 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1jcr n PRO 421 Cb 0.38 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1jcr n PRO 421 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcr n GLY 422 N 2.58 1.92 0.00 -1.23 0.00 -1.26 -5.04 105.19 102.17 1jcr n GLY 422 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jcr n GLY 422 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01