#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfa n THR 6 N 0.00 0.00 0.85 3.45 5.66 -1.26 -4.89 114.28 118.09 1jfa n THR 6 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1jfa n THR 6 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1jfa n THR 6 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jfa n GLU 7 N 0.00 1.37 0.12 1.09 0.28 -1.26 -4.20 120.64 118.04 1jfa n GLU 7 Ca 0.00 -0.68 0.18 0.00 -0.16 0.00 0.00 57.16 56.49 1jfa n GLU 7 Cb 0.00 -1.36 0.74 0.00 1.43 0.00 0.00 31.44 32.25 1jfa n GLU 7 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1jfa h TYR 8 N 1.59 0.00 -0.83 -1.84 3.20 -2.02 -1.58 116.97 115.50 1jfa h TYR 8 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1jfa h TYR 8 Cb 0.59 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.71 1jfa h TYR 8 CO 0.00 0.00 -0.14 0.35 -1.64 0.00 0.00 178.16 176.73 1jfa h PHE 9 N 0.00 -0.33 -0.22 -3.82 3.57 -1.95 0.56 116.94 114.75 1jfa h PHE 9 Ca 0.15 0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1jfa h PHE 9 Cb 0.70 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1jfa h PHE 9 CO 0.00 -0.34 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.43 1jfa h LEU 10 N 0.02 0.41 0.93 0.59 4.07 -1.61 0.03 115.31 119.75 1jfa h LEU 10 Ca 0.42 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.20 1jfa h LEU 10 Cb 0.68 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.32 1jfa h LEU 10 CO -0.82 0.66 -0.44 -1.13 -1.08 0.00 0.00 178.44 175.62 1jfa h ASN 11 N 0.37 -1.05 -0.53 -0.43 -1.24 -1.02 -0.63 115.58 111.05 1jfa h ASN 11 Ca 0.06 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.15 1jfa h ASN 11 Cb 0.63 0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.91 1jfa h ASN 11 CO 0.05 -0.71 0.28 0.71 -1.29 0.00 0.00 177.43 176.46 1jfa h THR 12 N -1.32 0.97 -0.70 -3.57 1.35 -1.42 0.10 112.91 108.32 1jfa h THR 12 Ca -0.13 -0.19 0.08 0.00 -0.55 0.00 0.00 66.41 65.63 1jfa h THR 12 Cb 0.95 0.38 -0.07 0.00 -1.73 0.00 0.00 68.15 67.69 1jfa h THR 12 CO 0.21 0.10 0.37 0.74 -0.25 0.00 0.00 175.52 176.69 1jfa h THR 13 N 0.54 0.90 -0.20 6.82 2.02 -0.93 0.94 112.91 123.00 1jfa h THR 13 Ca 0.23 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1jfa h THR 13 Cb 0.12 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1jfa h THR 13 CO -0.15 0.12 -0.09 0.58 0.37 0.00 0.00 175.52 176.35 1jfa h VAL 14 N 0.65 1.30 -0.75 3.16 2.07 -0.62 -0.98 116.25 121.09 1jfa h VAL 14 Ca 0.33 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1jfa h VAL 14 Cb 0.30 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1jfa h VAL 14 CO -0.23 0.35 0.48 0.03 0.02 0.00 0.00 177.57 178.21 1jfa h ARG 15 N 0.12 0.91 0.30 1.57 3.08 -0.22 0.07 114.38 120.21 1jfa h ARG 15 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jfa h ARG 15 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1jfa h ARG 15 CO 0.03 0.60 -0.29 1.25 -1.07 0.00 0.00 179.97 180.49 1jfa h LEU 16 N 0.93 -0.76 -1.73 3.04 5.85 0.11 0.31 115.31 123.06 1jfa h LEU 16 Ca 0.30 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1jfa h LEU 16 Cb 0.01 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1jfa h LEU 16 CO -0.11 -0.41 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.42 1jfa h LEU 17 N -0.61 0.06 -0.00 2.25 3.38 -0.77 -1.91 115.31 117.71 1jfa h LEU 17 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jfa h LEU 17 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jfa h LEU 17 CO -0.05 0.15 -0.02 -0.33 0.09 0.00 0.00 178.44 178.29 1jfa h GLU 18 N 0.06 0.02 -0.84 1.13 5.08 -0.50 0.38 114.58 119.90 1jfa h GLU 18 Ca 0.01 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1jfa h GLU 18 Cb 0.19 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 1jfa h GLU 18 CO 0.01 0.71 0.38 1.88 -1.00 0.00 0.00 179.01 180.99 1jfa h TYR 19 N -0.67 0.65 -0.01 4.33 -1.99 -0.04 0.17 116.97 119.42 1jfa h TYR 19 Ca -0.00 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1jfa h TYR 19 Cb 0.71 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1jfa h TYR 19 CO 0.17 0.06 -0.04 0.44 -0.00 0.00 0.00 178.16 178.79 1jfa n ILE 20 N -4.97 0.00 -2.98 -2.88 -5.35 -0.75 -4.77 119.36 97.66 1jfa n ILE 20 Ca 0.18 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1jfa n ILE 20 Cb 0.51 -0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.46 1jfa n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jfa n ARG 21 N -0.55 -3.99 -1.67 6.28 1.74 0.61 -4.93 116.66 114.14 1jfa n ARG 21 Ca 0.19 0.44 -0.49 0.00 -0.77 0.00 0.00 57.85 57.22 1jfa n ARG 21 Cb 0.25 -4.27 -0.05 0.00 -1.02 0.00 0.00 32.46 27.37 1jfa n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1jfa n TYR 22 N -3.47 2.23 -3.72 -1.55 9.36 0.13 -4.93 117.16 115.20 1jfa n TYR 22 Ca -0.04 0.17 -0.08 0.00 3.32 0.00 0.00 57.90 61.27 1jfa n TYR 22 Cb 0.55 -2.59 -0.02 0.00 -0.63 0.00 0.00 39.34 36.65 1jfa n TYR 22 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1jfa s ARG 23 N 2.85 1.52 0.75 2.98 1.70 -1.26 -4.94 118.95 122.54 1jfa s ARG 23 Ca 0.89 -0.78 -0.13 0.00 -0.47 0.00 0.00 55.73 55.24 1jfa s ARG 23 Cb -0.74 0.56 0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1jfa s ARG 23 CO 0.49 -0.69 1.13 -0.51 -1.08 0.00 0.00 175.30 174.64 1jfa s ASP 24 N -2.86 4.38 0.37 -2.89 1.11 -1.26 -5.06 116.67 110.46 1jfa s ASP 24 Ca 0.09 2.07 0.04 0.00 0.18 0.00 0.00 52.55 54.93 1jfa s ASP 24 Cb -0.04 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1jfa s ASP 24 CO 0.01 -2.13 0.13 -0.94 1.18 0.00 0.00 175.17 173.42 1jfa s SER 25 N -2.67 2.42 0.00 0.27 1.04 -1.26 -5.03 113.70 108.47 1jfa s SER 25 Ca 0.67 -1.61 0.14 0.00 0.48 0.00 0.00 55.95 55.63 1jfa s SER 25 Cb -0.22 0.39 0.71 0.00 0.10 0.00 0.00 66.02 67.00 1jfa s SER 25 CO 0.49 -0.88 1.47 0.59 0.98 0.00 0.00 173.24 175.89 1jfa n ASN 26 N -1.14 0.46 -4.53 7.02 3.02 -1.26 -4.70 115.26 114.13 1jfa n ASN 26 Ca -0.04 -1.66 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1jfa n ASN 26 Cb 0.65 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 1jfa n ASN 26 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jfa s TYR 27 N -1.92 2.62 0.62 3.10 5.04 -1.26 -5.02 117.35 120.53 1jfa s TYR 27 Ca 0.22 -0.05 -0.09 0.00 -2.44 0.00 0.00 57.07 54.71 1jfa s TYR 27 Cb 0.10 -4.33 -0.00 0.00 0.35 0.00 0.00 41.96 38.08 1jfa s TYR 27 CO 0.17 -1.62 0.98 0.95 -1.34 0.00 0.00 175.55 174.68 1jfa s THR 28 N 4.57 3.95 0.32 4.34 -4.23 -1.26 -4.92 115.64 118.42 1jfa s THR 28 Ca 0.32 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 1jfa s THR 28 Cb -0.11 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.30 1jfa s THR 28 CO 0.18 -0.70 1.88 0.03 -0.54 0.00 0.00 174.62 175.47 1jfa h ARG 29 N -0.31 0.66 -0.67 3.99 3.08 -1.89 -0.37 114.38 118.86 1jfa h ARG 29 Ca -0.45 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.46 1jfa h ARG 29 Cb 1.24 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1jfa h ARG 29 CO 0.62 0.61 0.35 0.93 -1.07 0.00 0.00 179.97 181.41 1jfa h GLU 30 N 0.64 0.94 -0.33 0.04 3.07 -1.96 -0.39 114.58 116.58 1jfa h GLU 30 Ca 0.14 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.36 58.74 1jfa h GLU 30 Cb 0.26 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1jfa h GLU 30 CO -0.00 0.72 -0.36 0.93 -1.40 0.00 0.00 179.01 178.91 1jfa h GLU 31 N 0.92 0.76 -0.59 2.33 5.08 -1.76 -1.53 114.58 119.80 1jfa h GLU 31 Ca 0.23 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1jfa h GLU 31 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1jfa h GLU 31 CO -0.03 1.00 0.16 0.00 -1.00 0.00 0.00 179.01 179.13 1jfa h ARG 32 N 0.64 0.94 -0.39 2.33 3.08 -0.75 -1.50 114.38 118.73 1jfa h ARG 32 Ca 0.06 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1jfa h ARG 32 Cb 0.90 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1jfa h ARG 32 CO 0.08 0.86 -0.11 0.82 -1.07 0.00 0.00 179.97 180.55 1jfa h ILE 33 N 0.85 1.25 -0.06 2.04 2.04 -0.93 0.28 117.51 122.98 1jfa h ILE 33 Ca 0.19 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1jfa h ILE 33 Cb 0.33 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1jfa h ILE 33 CO -0.00 0.37 0.03 -0.33 0.00 0.00 0.00 178.15 178.22 1jfa h GLU 34 N 0.62 0.10 -0.06 2.37 5.08 -0.90 -2.02 114.58 119.77 1jfa h GLU 34 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1jfa h GLU 34 Cb 0.55 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jfa h GLU 34 CO 0.03 0.23 0.01 -0.91 -1.00 0.00 0.00 179.01 177.37 1jfa h ASN 35 N -0.06 0.09 -0.39 1.42 2.35 -1.08 -1.86 115.58 116.06 1jfa h ASN 35 Ca 0.02 -0.26 0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1jfa h ASN 35 Cb 0.17 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.43 1jfa h ASN 35 CO -0.00 0.33 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.87 1jfa h LEU 36 N -0.15 -0.59 -0.58 1.61 3.38 -0.44 0.23 115.31 118.77 1jfa h LEU 36 Ca 0.02 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1jfa h LEU 36 Cb 0.28 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1jfa h LEU 36 CO 0.00 -0.21 0.03 -0.74 0.09 0.00 0.00 178.44 177.61 1jfa h HIS 37 N -0.10 1.09 0.10 1.13 2.76 -1.34 0.55 115.15 119.34 1jfa h HIS 37 Ca 0.19 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1jfa h HIS 37 Cb 0.40 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1jfa h HIS 37 CO -0.41 0.97 -0.05 -0.92 -1.30 0.00 0.00 177.93 176.22 1jfa h TYR 38 N 0.90 -0.12 0.43 5.26 3.20 -0.51 0.23 116.97 126.38 1jfa h TYR 38 Ca 0.17 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1jfa h TYR 38 Cb 0.51 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1jfa h TYR 38 CO 0.04 0.04 -0.30 0.00 -1.64 0.00 0.00 178.16 176.29 1jfa h ALA 39 N 0.64 -0.72 -0.31 1.82 0.00 -0.52 -2.26 119.26 117.91 1jfa h ALA 39 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jfa h ALA 39 Cb 0.21 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1jfa h ALA 39 CO 0.02 -0.93 -0.02 -0.92 0.00 0.00 0.00 179.25 177.41 1jfa h TYR 40 N -0.72 -0.05 -0.75 0.00 3.20 -0.81 -2.04 116.97 115.80 1jfa h TYR 40 Ca -0.04 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1jfa h TYR 40 Cb 0.60 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1jfa h TYR 40 CO -0.12 -0.07 0.43 -0.97 -1.64 0.00 0.00 178.16 175.79 1jfa h ASN 41 N 0.07 0.63 -0.18 -2.11 -1.24 -0.39 0.37 115.58 112.73 1jfa h ASN 41 Ca 0.15 0.04 -0.13 0.00 0.71 0.00 0.00 56.30 57.07 1jfa h ASN 41 Cb 0.21 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1jfa h ASN 41 CO -0.26 0.39 -0.38 0.50 -1.29 0.00 0.00 177.43 176.39 1jfa h LYS 42 N 0.76 0.58 -0.17 6.67 3.64 -1.20 -2.58 116.57 124.28 1jfa h LYS 42 Ca 0.35 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1jfa h LYS 42 Cb 0.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1jfa h LYS 42 CO -0.21 0.99 0.10 0.00 -2.27 0.00 0.00 179.45 178.07 1jfa h ALA 43 N 0.58 0.21 -0.76 5.00 0.00 -0.99 -1.94 119.26 121.37 1jfa h ALA 43 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1jfa h ALA 43 Cb 0.98 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1jfa h ALA 43 CO 0.08 -0.27 0.43 0.00 0.00 0.00 0.00 179.25 179.49 1jfa h ALA 44 N 1.02 1.04 -0.12 0.00 0.00 -0.29 -0.13 119.26 120.77 1jfa h ALA 44 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1jfa h ALA 44 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jfa h ALA 44 CO -0.01 0.11 -0.29 0.45 0.00 0.00 0.00 179.25 179.50 1jfa h HIS 45 N 0.77 0.26 0.27 0.00 -0.00 -1.28 -2.28 115.15 112.89 1jfa h HIS 45 Ca 0.35 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1jfa h HIS 45 Cb 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1jfa h HIS 45 CO -0.07 0.51 -0.13 1.25 -0.00 0.00 0.00 177.93 179.49 1jfa h HIS 46 N 0.21 -0.33 0.00 2.45 6.17 -0.29 -3.00 115.15 120.36 1jfa h HIS 46 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1jfa h HIS 46 Cb 0.62 0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.66 1jfa h HIS 46 CO 0.01 0.00 0.00 1.19 0.71 0.00 0.00 177.93 179.84 1jfa n PHE 47 N -5.10 0.04 0.96 5.26 3.72 -0.30 -2.33 117.46 119.71 1jfa n PHE 47 Ca -0.09 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1jfa n PHE 47 Cb 0.25 -0.53 0.25 0.00 -0.94 0.00 0.00 39.48 38.51 1jfa n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jfa n ALA 48 N -1.51 3.47 -1.76 4.37 0.00 -0.86 -4.10 120.51 120.12 1jfa n ALA 48 Ca 0.03 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 1jfa n ALA 48 Cb 0.16 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1jfa n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jfa s GLN 49 N -3.02 3.35 0.24 0.00 -0.21 -0.99 -4.18 119.66 114.86 1jfa s GLN 49 Ca 0.11 1.93 -0.05 0.00 0.02 0.00 0.00 55.36 57.36 1jfa s GLN 49 Cb 0.17 -2.23 0.38 0.00 1.00 0.00 0.00 33.01 32.33 1jfa s GLN 49 CO 0.70 -0.93 1.78 -1.00 -2.12 0.00 0.00 175.29 173.73 1jfa h PRO 50 N 1.55 0.63 -0.43 2.91 0.13 -1.90 0.55 132.00 135.44 1jfa h PRO 50 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1jfa h PRO 50 Cb 1.28 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1jfa h PRO 50 CO 0.58 0.42 0.23 -0.09 -0.23 0.00 0.00 178.00 178.91 1jfa h ARG 51 N 0.65 0.60 -0.72 0.86 2.43 -1.96 0.74 114.38 116.98 1jfa h ARG 51 Ca 0.38 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1jfa h ARG 51 Cb 0.41 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1jfa h ARG 51 CO -0.28 0.48 0.19 1.96 -1.51 0.00 0.00 179.97 180.81 1jfa h GLN 52 N 0.56 1.14 -0.55 0.20 1.08 -1.73 -1.64 115.11 114.17 1jfa h GLN 52 Ca 0.15 -0.27 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 1jfa h GLN 52 Cb 0.06 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1jfa h GLN 52 CO -0.02 0.99 0.06 1.96 -0.95 0.00 0.00 178.83 180.87 1jfa h GLN 53 N 1.08 0.90 -0.09 1.46 1.08 -0.52 -2.20 115.11 116.82 1jfa h GLN 53 Ca 0.23 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1jfa h GLN 53 Cb 0.35 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1jfa h GLN 53 CO -0.00 0.86 -0.18 1.96 -0.95 0.00 0.00 178.83 180.52 1jfa h GLN 54 N 0.85 0.28 0.00 1.46 4.20 -0.45 -3.35 115.11 118.10 1jfa h GLN 54 Ca 0.17 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1jfa h GLN 54 Cb 0.42 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1jfa h GLN 54 CO 0.01 0.78 -0.68 -0.07 -0.67 0.00 0.00 178.83 178.20 1jfa h LEU 55 N -0.17 0.00 -7.96 1.46 3.38 -1.35 -3.42 115.31 107.25 1jfa h LEU 55 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1jfa h LEU 55 Cb 0.77 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.31 1jfa h LEU 55 CO 0.04 0.21 0.51 -0.22 0.09 0.00 0.00 178.44 179.07 1jfa s LEU 56 N -5.92 5.62 -0.76 1.67 2.96 -0.83 -4.68 118.68 116.74 1jfa s LEU 56 Ca 0.02 -2.16 -0.26 0.00 -0.22 0.00 0.00 54.13 51.52 1jfa s LEU 56 Cb 0.08 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1jfa s LEU 56 CO 0.75 -0.92 1.69 -0.54 -1.32 0.00 0.00 176.35 176.01 1jfa s LYS 57 N 1.91 2.86 -0.02 1.98 -0.14 -1.26 -4.86 119.74 120.21 1jfa s LYS 57 Ca 0.25 -0.00 -0.07 0.00 -1.36 0.00 0.00 55.97 54.79 1jfa s LYS 57 Cb -0.09 -4.61 0.01 0.00 -1.68 0.00 0.00 37.83 31.46 1jfa s LYS 57 CO -0.07 -2.68 0.16 0.08 -0.76 0.00 0.00 175.35 172.08 1jfa s VAL 58 N 8.02 0.05 0.12 3.17 1.01 -1.26 -5.03 120.40 126.48 1jfa s VAL 58 Ca 0.58 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 1jfa s VAL 58 Cb -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 1jfa s VAL 58 CO 0.11 -0.24 1.45 -0.62 0.00 0.00 0.00 175.10 175.80 1jfa s ASP 59 N -0.85 6.76 0.24 3.32 2.15 -1.26 -4.86 116.67 122.17 1jfa s ASP 59 Ca -0.09 2.39 -0.06 0.00 0.43 0.00 0.00 52.55 55.22 1jfa s ASP 59 Cb -0.05 -2.59 0.45 0.00 -0.30 0.00 0.00 42.92 40.44 1jfa s ASP 59 CO 0.01 -0.71 1.66 -0.65 -0.17 0.00 0.00 175.17 175.31 1jfa h PRO 60 N 6.94 0.17 -0.52 4.34 0.11 -1.99 0.81 132.00 141.87 1jfa h PRO 60 Ca -0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1jfa h PRO 60 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1jfa h PRO 60 CO 0.88 0.11 0.27 0.87 -0.21 0.00 0.00 178.00 179.93 1jfa h LYS 61 N 0.18 0.71 -0.04 1.05 1.57 -1.99 0.49 116.57 118.53 1jfa h LYS 61 Ca 0.41 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.90 1jfa h LYS 61 Cb 0.73 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jfa h LYS 61 CO -0.58 0.53 -0.87 0.00 -0.57 0.00 0.00 179.45 177.96 1jfa h ARG 62 N 0.72 0.50 -0.33 3.15 3.08 -1.32 -1.30 114.38 118.87 1jfa h ARG 62 Ca 0.18 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1jfa h ARG 62 Cb 0.04 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1jfa h ARG 62 CO -0.03 1.11 0.17 1.25 -1.07 0.00 0.00 179.97 181.40 1jfa h LEU 63 N 0.31 0.42 -0.44 3.04 5.85 -0.38 0.20 115.31 124.31 1jfa h LEU 63 Ca -0.07 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1jfa h LEU 63 Cb 1.49 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1jfa h LEU 63 CO 0.16 0.40 0.23 -0.61 -0.34 0.00 0.00 178.44 178.28 1jfa h GLN 64 N 0.40 0.45 -0.24 1.25 5.75 -0.85 -0.02 115.11 121.85 1jfa h GLN 64 Ca 0.11 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.45 1jfa h GLN 64 Cb 0.09 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1jfa h GLN 64 CO -0.02 0.30 -0.42 0.00 -2.65 0.00 0.00 178.83 176.04 1jfa h ALA 65 N 1.22 0.83 -0.36 3.38 0.00 -0.87 -2.40 119.26 121.06 1jfa h ALA 65 Ca 0.19 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1jfa h ALA 65 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jfa h ALA 65 CO -0.12 0.65 -0.27 0.77 0.00 0.00 0.00 179.25 180.28 1jfa h SER 66 N 0.46 0.86 -0.45 0.00 0.02 -0.22 -2.22 113.55 112.00 1jfa h SER 66 Ca 0.04 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1jfa h SER 66 Cb 0.92 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1jfa h SER 66 CO 0.08 1.12 0.27 0.25 -1.14 0.00 0.00 176.83 177.41 1jfa h LEU 67 N 0.61 0.54 -1.10 5.07 5.85 -0.95 -1.21 115.31 124.14 1jfa h LEU 67 Ca 0.07 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jfa h LEU 67 Cb 0.84 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1jfa h LEU 67 CO 0.07 0.44 0.02 1.56 -0.34 0.00 0.00 178.44 180.19 1jfa h GLN 68 N 0.60 0.66 -0.30 1.25 4.20 -1.34 -0.08 115.11 120.10 1jfa h GLN 68 Ca 0.16 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1jfa h GLN 68 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1jfa h GLN 68 CO -0.03 0.66 -0.20 1.15 -0.67 0.00 0.00 178.83 179.74 1jfa h THR 69 N 0.62 1.30 -0.12 -0.54 2.02 -1.10 -2.78 112.91 112.32 1jfa h THR 69 Ca 0.13 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1jfa h THR 69 Cb 0.36 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1jfa h THR 69 CO 0.01 0.43 -0.02 0.40 0.37 0.00 0.00 175.52 176.71 1jfa h ILE 70 N 0.42 1.28 -0.87 3.11 1.08 -0.96 -1.32 117.51 120.25 1jfa h ILE 70 Ca 0.06 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.68 1jfa h ILE 70 Cb 0.75 1.68 -0.07 0.00 -3.07 0.00 0.00 36.82 36.10 1jfa h ILE 70 CO 0.06 0.27 0.52 0.58 -0.69 0.00 0.00 178.15 178.89 1jfa h VAL 71 N -0.09 0.94 -0.27 1.67 2.07 -1.08 0.01 116.25 119.51 1jfa h VAL 71 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1jfa h VAL 71 Cb 0.43 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1jfa h VAL 71 CO 0.01 0.16 0.10 1.23 0.02 0.00 0.00 177.57 179.09 1jfa h GLY 72 N 0.88 0.44 0.58 2.17 0.00 -1.36 -0.82 103.07 104.96 1jfa h GLY 72 Ca 0.41 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.55 1jfa h GLY 72 CO -0.23 0.23 0.05 1.98 0.00 0.00 0.00 176.54 178.57 1jfa h MET 73 N 0.28 0.16 0.28 4.80 -1.53 -0.14 -1.44 114.93 117.35 1jfa h MET 73 Ca 0.09 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 1jfa h MET 73 Cb 0.20 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.22 1jfa h MET 73 CO -0.01 0.11 -0.14 0.28 0.14 0.00 0.00 176.91 177.30 1jfa h VAL 74 N 0.17 0.74 -0.79 -5.77 2.07 -0.91 -1.63 116.25 110.14 1jfa h VAL 74 Ca 0.16 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1jfa h VAL 74 Cb 0.18 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1jfa h VAL 74 CO -0.22 0.11 0.51 0.58 0.02 0.00 0.00 177.57 178.58 1jfa h VAL 75 N -0.69 1.00 0.00 2.57 2.07 -1.10 0.23 116.25 120.34 1jfa h VAL 75 Ca -0.04 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1jfa h VAL 75 Cb 0.48 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1jfa h VAL 75 CO 0.06 0.15 -0.61 1.88 0.02 0.00 0.00 177.57 179.07 1jfa h TYR 76 N 0.80 0.00 0.00 1.57 -1.99 -1.26 -3.36 116.97 112.73 1jfa h TYR 76 Ca 0.35 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.78 1jfa h TYR 76 Cb 0.31 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 1jfa h TYR 76 CO -0.00 0.37 -2.12 0.43 -0.00 0.00 0.00 178.16 176.83 1jfa n SER 77 N -3.09 1.39 -2.59 3.88 7.64 -0.61 -3.85 113.62 116.39 1jfa n SER 77 Ca 0.00 -0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 1jfa n SER 77 Cb 0.70 0.57 0.04 0.00 -1.01 0.00 0.00 64.21 64.50 1jfa n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jfa n TRP 78 N -2.73 2.76 -0.36 1.43 8.01 0.78 -3.25 117.44 124.07 1jfa n TRP 78 Ca -0.29 -2.47 0.32 0.00 -1.31 0.00 0.00 57.50 53.75 1jfa n TRP 78 Cb 0.99 -1.28 0.66 0.00 -2.01 0.00 0.00 31.31 29.67 1jfa n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jfa h ALA 79 N 2.56 2.82 -0.02 6.99 0.00 -1.76 -2.24 119.26 127.61 1jfa h ALA 79 Ca 0.54 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1jfa h ALA 79 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jfa h ALA 79 CO 1.36 -1.23 -0.04 1.63 0.00 0.00 0.00 179.25 180.97 1jfa n LYS 80 N -4.38 1.60 -3.35 0.00 4.76 -1.26 -4.95 118.16 110.58 1jfa n LYS 80 Ca 0.28 -0.98 -0.23 0.00 -2.87 0.00 0.00 58.31 54.52 1jfa n LYS 80 Cb 1.19 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.89 1jfa n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jfa s VAL 81 N -2.07 4.73 1.02 -0.18 -7.23 -0.84 -5.06 120.40 110.76 1jfa s VAL 81 Ca 0.35 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.82 1jfa s VAL 81 Cb 0.21 -3.72 0.18 0.00 0.56 0.00 0.00 36.38 33.61 1jfa s VAL 81 CO 0.36 -0.44 0.95 -1.54 -0.31 0.00 0.00 175.10 174.13 1jfa n SER 82 N -1.81 -0.77 -0.09 4.85 3.41 -1.26 -4.77 113.62 113.18 1jfa n SER 82 Ca -0.03 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1jfa n SER 82 Cb 0.57 -1.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 1jfa n SER 82 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jfa h LYS 83 N -2.13 0.43 -0.60 4.33 1.57 -1.98 -1.81 116.57 116.37 1jfa h LYS 83 Ca -0.50 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.32 1jfa h LYS 83 Cb 1.30 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1jfa h LYS 83 CO 0.43 0.31 0.29 0.93 -0.57 0.00 0.00 179.45 180.83 1jfa h GLU 84 N 0.42 0.51 -0.82 3.15 4.39 -1.98 -0.79 114.58 119.47 1jfa h GLU 84 Ca 0.12 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1jfa h GLU 84 Cb -0.01 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1jfa h GLU 84 CO -0.02 0.34 0.41 0.00 -1.16 0.00 0.00 179.01 178.57 1jfa h MET 86 N 1.15 0.85 0.39 0.00 2.86 -0.47 -0.18 114.93 119.53 1jfa h MET 86 Ca 0.28 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1jfa h MET 86 Cb 0.10 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1jfa h MET 86 CO -0.04 0.64 -0.19 0.00 1.06 0.00 0.00 176.91 178.39 1jfa h ALA 87 N 1.16 -0.53 -0.71 6.32 0.00 -0.60 0.02 119.26 124.92 1jfa h ALA 87 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1jfa h ALA 87 Cb 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jfa h ALA 87 CO -0.03 -0.79 0.25 -0.44 0.00 0.00 0.00 179.25 178.24 1jfa h ASP 88 N -0.55 0.99 0.20 0.00 3.32 -1.01 -1.74 116.42 117.63 1jfa h ASP 88 Ca -0.05 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 1jfa h ASP 88 Cb 0.42 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1jfa h ASP 88 CO 0.09 0.91 -0.35 -0.07 -1.72 0.00 0.00 179.24 178.10 1jfa h LEU 89 N 1.04 0.23 -0.73 1.55 3.38 -0.96 -2.09 115.31 117.73 1jfa h LEU 89 Ca 0.23 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1jfa h LEU 89 Cb 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1jfa h LEU 89 CO -0.01 0.57 -0.17 0.28 0.09 0.00 0.00 178.44 179.19 1jfa h SER 90 N 0.20 0.79 -0.06 -0.43 0.02 -0.21 -0.62 113.55 113.24 1jfa h SER 90 Ca 0.02 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1jfa h SER 90 Cb 0.71 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jfa h SER 90 CO 0.05 0.96 0.01 0.40 -1.14 0.00 0.00 176.83 177.12 1jfa h ILE 91 N 0.70 1.20 -0.30 3.27 2.04 -0.99 -1.53 117.51 121.90 1jfa h ILE 91 Ca 0.11 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1jfa h ILE 91 Cb 0.67 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1jfa h ILE 91 CO 0.05 0.16 0.19 -0.74 0.00 0.00 0.00 178.15 177.82 1jfa h HIS 92 N -0.13 0.38 0.00 1.37 2.76 -1.20 -1.45 115.15 116.88 1jfa h HIS 92 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1jfa h HIS 92 Cb 0.25 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1jfa h HIS 92 CO 0.01 0.25 0.00 0.66 -1.30 0.00 0.00 177.93 177.54 1jfa n TYR 93 N -4.87 0.26 0.08 5.26 4.01 -0.26 -2.14 117.16 119.50 1jfa n TYR 93 Ca -0.01 0.09 -0.17 0.00 -0.16 0.00 0.00 57.90 57.64 1jfa n TYR 93 Cb 0.03 -0.64 -0.14 0.00 -0.31 0.00 0.00 39.34 38.27 1jfa n TYR 93 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1jfa h THR 94 N 0.00 1.23 -0.26 -0.72 2.02 -0.68 -2.74 112.91 111.76 1jfa h THR 94 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1jfa h THR 94 Cb 0.43 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1jfa h THR 94 CO 0.00 0.83 0.17 1.88 0.37 0.00 0.00 175.52 178.77 1jfa h TYR 95 N 0.07 0.33 -0.76 3.16 0.05 -0.84 -0.75 116.97 118.24 1jfa h TYR 95 Ca -0.22 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1jfa h TYR 95 Cb 2.01 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 39.61 1jfa h TYR 95 CO 0.07 0.21 0.28 1.79 -1.05 0.00 0.00 178.16 179.46 1jfa h THR 96 N 0.35 1.26 -0.39 -2.88 1.35 -1.51 -1.73 112.91 109.36 1jfa h THR 96 Ca 0.10 -0.84 -0.10 0.00 -0.55 0.00 0.00 66.41 65.03 1jfa h THR 96 Cb -0.04 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 1jfa h THR 96 CO -0.02 0.34 -0.15 0.25 -0.25 0.00 0.00 175.52 175.68 1jfa h LEU 97 N 1.11 0.70 -0.91 3.87 5.85 -1.19 -2.02 115.31 122.73 1jfa h LEU 97 Ca 0.25 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1jfa h LEU 97 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1jfa h LEU 97 CO -0.02 0.87 -0.23 0.58 -0.34 0.00 0.00 178.44 179.29 1jfa h VAL 98 N 0.64 1.26 -0.04 1.05 2.07 -0.72 -2.53 116.25 117.99 1jfa h VAL 98 Ca 0.10 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1jfa h VAL 98 Cb 0.62 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1jfa h VAL 98 CO 0.04 0.40 -0.55 0.25 0.02 0.00 0.00 177.57 177.74 1jfa h LEU 99 N 0.47 0.12 -1.90 2.57 5.85 -1.03 -3.01 115.31 118.39 1jfa h LEU 99 Ca 0.07 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jfa h LEU 99 Cb 0.66 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1jfa h LEU 99 CO 0.05 0.65 0.04 -0.78 -0.34 0.00 0.00 178.44 178.05 1jfa h ASP 100 N 0.09 0.09 -0.69 1.25 1.82 -0.92 -1.59 116.42 116.47 1jfa h ASP 100 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1jfa h ASP 100 Cb 0.99 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1jfa h ASP 100 CO 0.08 0.08 0.00 0.47 -1.61 0.00 0.00 179.24 178.25 1jfa n ASP 101 N -4.51 4.22 -4.85 2.28 8.00 -1.14 -4.97 116.55 115.58 1jfa n ASP 101 Ca -0.02 -2.19 -0.32 0.00 0.71 0.00 0.00 54.79 52.97 1jfa n ASP 101 Cb 0.10 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1jfa n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jfa s SER 102 N -0.95 6.75 0.00 -2.24 0.15 -0.60 -4.98 113.70 111.83 1jfa s SER 102 Ca 0.49 1.21 0.03 0.00 0.70 0.00 0.00 55.95 58.38 1jfa s SER 102 Cb 0.28 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1jfa s SER 102 CO 0.29 -0.18 0.73 0.29 1.20 0.00 0.00 173.24 175.57 1jfa n LYS 103 N -0.31 0.41 -2.30 5.44 5.02 -1.26 -4.97 118.16 120.18 1jfa n LYS 103 Ca 0.03 -0.95 -0.43 0.00 -2.02 0.00 0.00 58.31 54.94 1jfa n LYS 103 Cb 0.53 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 1jfa n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jfa s ASP 104 N -0.46 6.59 0.17 4.39 1.01 -1.26 -4.97 116.67 122.14 1jfa s ASP 104 Ca 0.04 1.41 -0.34 0.00 0.71 0.00 0.00 52.55 54.37 1jfa s ASP 104 Cb 0.03 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.28 1jfa s ASP 104 CO 0.04 -1.12 1.43 -0.67 0.21 0.00 0.00 175.17 175.07 1jfa n ASP 105 N 7.83 2.50 0.05 0.27 2.03 -1.26 -4.93 116.55 123.04 1jfa n ASP 105 Ca 0.16 1.11 -0.13 0.00 0.52 0.00 0.00 54.79 56.46 1jfa n ASP 105 Cb 0.46 -1.36 -0.14 0.00 -0.72 0.00 0.00 41.12 39.37 1jfa n ASP 105 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1jfa h PRO 106 N 4.87 0.15 -0.54 -0.67 0.11 -1.96 -3.42 132.00 130.54 1jfa h PRO 106 Ca -0.45 -0.25 0.05 0.00 0.11 0.00 0.00 66.00 65.46 1jfa h PRO 106 Cb 1.29 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.42 1jfa h PRO 106 CO 0.81 0.99 -0.32 0.98 -0.21 0.00 0.00 178.00 180.25 1jfa n TYR 107 N -3.36 -0.24 0.26 0.65 4.19 -1.26 -0.32 117.16 117.08 1jfa n TYR 107 Ca -0.12 0.67 0.08 0.00 3.31 0.00 0.00 57.90 61.85 1jfa n TYR 107 Cb 1.02 -0.51 0.65 0.00 0.49 0.00 0.00 39.34 40.98 1jfa n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1jfa h PRO 108 N 0.00 0.00 -0.01 2.98 0.13 -2.01 -1.71 132.00 131.37 1jfa h PRO 108 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1jfa h PRO 108 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1jfa h PRO 108 CO -0.51 0.02 -0.01 0.25 -0.23 0.00 0.00 178.00 177.52 1jfa n THR 109 N -4.45 0.00 0.47 1.56 -2.24 0.56 -3.89 114.28 106.30 1jfa n THR 109 Ca -0.03 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1jfa n THR 109 Cb 0.11 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1jfa n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jfa n MET 110 N -0.00 1.14 -0.33 -0.78 2.81 -0.66 -3.84 117.12 115.45 1jfa n MET 110 Ca 0.19 -0.97 0.06 0.00 -1.81 0.00 0.00 57.70 55.17 1jfa n MET 110 Cb 0.33 -1.17 0.24 0.00 -0.71 0.00 0.00 33.22 31.91 1jfa n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1jfa h VAL 111 N 1.84 1.00 -0.22 2.03 2.07 -1.63 -2.66 116.25 118.67 1jfa h VAL 111 Ca 0.00 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1jfa h VAL 111 Cb 0.43 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1jfa h VAL 111 CO 0.00 0.18 -0.07 0.59 0.02 0.00 0.00 177.57 178.29 1jfa n ASN 112 N -4.54 2.89 0.03 0.57 3.02 -1.26 -4.83 115.26 111.14 1jfa n ASN 112 Ca 0.16 -3.39 -0.15 0.00 -0.03 0.00 0.00 54.58 51.18 1jfa n ASN 112 Cb 0.28 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 1jfa n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1jfa h TYR 113 N 1.09 -1.44 -0.40 3.10 3.20 -1.73 -1.69 116.97 119.11 1jfa h TYR 113 Ca 0.08 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1jfa h TYR 113 Cb 1.40 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 40.29 1jfa h TYR 113 CO 0.62 -0.54 0.22 0.35 -1.64 0.00 0.00 178.16 177.17 1jfa h PHE 114 N -0.61 0.54 -0.25 -3.82 3.57 -1.88 -0.93 116.94 113.57 1jfa h PHE 114 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1jfa h PHE 114 Cb 0.69 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1jfa h PHE 114 CO -0.51 0.41 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.49 1jfa h ASP 115 N 0.51 0.36 -0.03 0.41 3.32 -1.90 0.27 116.42 119.36 1jfa h ASP 115 Ca 0.14 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 1jfa h ASP 115 Cb 0.04 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1jfa h ASP 115 CO -0.02 0.46 -0.77 0.44 -1.72 0.00 0.00 179.24 177.63 1jfa h ASP 116 N 0.37 0.81 0.33 6.45 3.32 -1.11 -1.89 116.42 124.71 1jfa h ASP 116 Ca 0.08 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1jfa h ASP 116 Cb 0.33 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1jfa h ASP 116 CO 0.01 1.32 -0.16 0.25 -1.72 0.00 0.00 179.24 178.94 1jfa h LEU 117 N 0.46 -0.38 -1.29 1.55 5.85 -0.39 0.95 115.31 122.06 1jfa h LEU 117 Ca -0.05 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jfa h LEU 117 Cb 1.38 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 1jfa h LEU 117 CO 0.15 -0.21 0.46 -0.61 -0.34 0.00 0.00 178.44 177.89 1jfa h GLN 118 N -0.52 0.94 0.00 1.25 5.75 -0.54 -2.53 115.11 119.45 1jfa h GLN 118 Ca -0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1jfa h GLN 118 Cb 0.39 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1jfa h GLN 118 CO 0.08 0.62 -0.20 0.00 -2.65 0.00 0.00 178.83 176.68 1jfa h ALA 119 N 1.55 0.87 0.00 3.38 0.00 -1.14 -3.48 119.26 120.44 1jfa h ALA 119 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jfa h ALA 119 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jfa h ALA 119 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1jfa n GLY 120 N 1.31 0.49 3.90 0.00 0.00 0.16 -5.05 105.19 105.99 1jfa n GLY 120 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1jfa n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfa s ARG 121 N -2.57 3.64 0.28 1.61 0.52 -0.22 -5.03 118.95 117.17 1jfa s ARG 121 Ca 0.00 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 1jfa s ARG 121 Cb 0.00 -2.77 -0.10 0.00 0.52 0.00 0.00 34.95 32.60 1jfa s ARG 121 CO 0.00 0.38 1.45 -2.00 0.02 0.00 0.00 175.30 175.15 1jfa s GLU 122 N -2.97 4.24 0.47 3.54 2.12 -1.26 -4.48 118.70 120.36 1jfa s GLU 122 Ca 0.42 2.36 -0.24 0.00 0.36 0.00 0.00 54.97 57.87 1jfa s GLU 122 Cb -0.11 -3.08 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 1jfa s GLU 122 CO 0.26 -0.44 1.36 -0.65 -0.54 0.00 0.00 175.26 175.26 1jfa s GLN 123 N -0.72 3.60 0.20 4.30 -1.52 -1.26 -4.93 119.66 119.33 1jfa s GLN 123 Ca 0.58 2.27 -0.04 0.00 -1.95 0.00 0.00 55.36 56.22 1jfa s GLN 123 Cb -0.43 -2.55 0.15 0.00 -0.22 0.00 0.00 33.01 29.96 1jfa s GLN 123 CO 0.47 -0.83 1.58 0.00 -0.25 0.00 0.00 175.29 176.26 1jfa h ALA 124 N 2.14 0.80 -2.09 6.09 0.00 -1.92 -3.41 119.26 120.87 1jfa h ALA 124 Ca -0.50 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 1jfa h ALA 124 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1jfa h ALA 124 CO 0.60 0.65 0.96 -1.58 0.00 0.00 0.00 179.25 179.88 1jfa s HIS 125 N -4.40 2.64 0.41 0.00 5.04 -1.25 -4.90 115.29 112.84 1jfa s HIS 125 Ca -0.09 0.85 0.16 0.00 -1.54 0.00 0.00 55.06 54.43 1jfa s HIS 125 Cb 0.12 -3.71 1.03 0.00 0.04 0.00 0.00 32.58 30.07 1jfa s HIS 125 CO 0.84 -2.02 1.88 -1.00 -2.34 0.00 0.00 174.74 172.10 1jfa h PRO 126 N 8.91 0.44 -0.53 2.88 0.13 -1.89 -1.34 132.00 140.60 1jfa h PRO 126 Ca -0.28 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1jfa h PRO 126 Cb 1.11 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1jfa h PRO 126 CO 0.99 0.29 0.24 2.35 -0.23 0.00 0.00 178.00 181.64 1jfa h TRP 127 N 0.45 0.77 -0.51 1.56 7.01 -1.90 -1.56 115.95 121.76 1jfa h TRP 127 Ca 0.43 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.30 1jfa h TRP 127 Cb 0.98 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 1jfa h TRP 127 CO -0.00 0.61 -0.03 -1.49 -2.79 0.00 0.00 178.44 174.74 1jfa h TRP 128 N 0.71 0.97 -0.68 2.65 -0.00 -1.64 0.26 115.95 118.21 1jfa h TRP 128 Ca 0.18 -0.16 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1jfa h TRP 128 Cb 0.14 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.00 1jfa h TRP 128 CO -0.00 0.89 0.42 0.00 -0.00 0.00 0.00 178.44 179.75 1jfa h ALA 129 N 1.14 0.89 0.01 1.49 0.00 -0.88 -0.31 119.26 121.60 1jfa h ALA 129 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jfa h ALA 129 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jfa h ALA 129 CO 0.03 0.19 -0.01 -0.07 0.00 0.00 0.00 179.25 179.39 1jfa h LEU 130 N 0.83 -0.01 -0.92 0.00 3.38 -1.01 -2.90 115.31 114.67 1jfa h LEU 130 Ca 0.27 -0.75 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1jfa h LEU 130 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1jfa h LEU 130 CO -0.11 0.77 0.60 0.58 0.09 0.00 0.00 178.44 180.37 1jfa h VAL 131 N -0.82 1.18 0.00 1.22 2.07 -0.89 -1.08 116.25 117.92 1jfa h VAL 131 Ca -0.00 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1jfa h VAL 131 Cb 0.77 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1jfa h VAL 131 CO 0.00 0.22 -0.59 0.78 0.02 0.00 0.00 177.57 177.99 1jfa h ASN 132 N 1.18 0.00 0.12 0.57 2.35 -1.18 0.11 115.58 118.73 1jfa h ASN 132 Ca 0.36 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.94 1jfa h ASN 132 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1jfa h ASN 132 CO -0.11 0.59 -0.63 -0.08 -1.65 0.00 0.00 177.43 175.56 1jfa h GLU 133 N 0.00 0.49 0.01 0.81 4.81 -1.23 -3.28 114.58 116.19 1jfa h GLU 133 Ca -0.01 -0.35 -0.25 0.00 -0.13 0.00 0.00 59.36 58.62 1jfa h GLU 133 Cb 1.18 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1jfa h GLU 133 CO 0.08 0.96 -1.37 1.25 -0.73 0.00 0.00 179.01 179.20 1jfa h HIS 134 N 0.36 0.02 -0.79 0.92 2.76 -1.07 -3.40 115.15 113.96 1jfa h HIS 134 Ca -0.01 -0.02 0.25 0.00 -2.20 0.00 0.00 60.37 58.39 1jfa h HIS 134 Cb 1.18 -0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.99 1jfa h HIS 134 CO 0.05 1.02 0.12 0.34 -1.30 0.00 0.00 177.93 178.16 1jfa n PHE 135 N -3.21 0.61 -0.12 5.26 -0.00 0.37 -0.86 117.46 119.51 1jfa n PHE 135 Ca -0.09 0.94 0.22 0.00 -0.00 0.00 0.00 57.45 58.53 1jfa n PHE 135 Cb 1.00 -1.16 0.65 0.00 -0.00 0.00 0.00 39.48 39.97 1jfa n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1jfa h PRO 136 N 0.00 0.11 0.00 -7.13 0.11 -1.80 0.21 132.00 123.50 1jfa h PRO 136 Ca 0.53 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.61 1jfa h PRO 136 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jfa h PRO 136 CO -0.71 0.07 -0.09 -0.91 -0.21 0.00 0.00 178.00 176.15 1jfa h ASN 137 N 0.11 0.00 0.04 -2.05 -0.26 -1.33 -0.31 115.58 111.78 1jfa h ASN 137 Ca 0.36 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.81 1jfa h ASN 137 Cb 1.26 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.49 1jfa h ASN 137 CO -0.04 0.09 -1.56 0.52 -1.06 0.00 0.00 177.43 175.38 1jfa n VAL 138 N -3.46 1.62 0.24 2.81 0.31 0.58 -4.36 118.33 116.08 1jfa n VAL 138 Ca -0.01 -0.26 0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1jfa n VAL 138 Cb 0.24 -1.93 0.60 0.00 -0.91 0.00 0.00 33.84 31.84 1jfa n VAL 138 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jfa h LEU 139 N -0.62 0.00 -2.69 7.52 3.38 -0.95 -2.69 115.31 119.26 1jfa h LEU 139 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jfa h LEU 139 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1jfa h LEU 139 CO -0.11 0.17 0.00 0.08 0.09 0.00 0.00 178.44 178.67 1jfa h ARG 140 N 0.00 0.00 -0.00 1.13 0.11 -1.25 -0.56 114.38 113.81 1jfa h ARG 140 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jfa h ARG 140 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1jfa h ARG 140 CO 0.02 0.00 -0.14 0.72 0.10 0.00 0.00 179.97 180.67 1jfa n HIS 141 N -2.96 0.00 -4.27 4.08 8.25 -1.01 -4.93 115.22 114.37 1jfa n HIS 141 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 1jfa n HIS 141 Cb 0.08 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.80 1jfa n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jfa s PHE 142 N -2.72 1.35 0.96 4.41 0.40 -0.22 -1.02 117.98 121.15 1jfa s PHE 142 Ca 0.22 -0.83 -0.14 0.00 -0.60 0.00 0.00 56.93 55.58 1jfa s PHE 142 Cb 0.19 -0.73 0.17 0.00 0.51 0.00 0.00 43.02 43.17 1jfa s PHE 142 CO 0.53 0.02 1.16 0.20 0.70 0.00 0.00 175.22 177.83 1jfa s GLY 143 N -3.21 1.61 0.29 4.36 0.00 -1.26 -4.79 107.32 104.32 1jfa s GLY 143 Ca 0.21 -0.69 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1jfa s GLY 143 CO 0.03 -0.05 1.91 -0.56 0.00 0.00 0.00 173.10 174.43 1jfa h PRO 144 N -1.69 1.04 0.25 2.90 0.13 -1.99 -1.44 132.00 131.21 1jfa h PRO 144 Ca -0.49 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1jfa h PRO 144 Cb 1.31 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jfa h PRO 144 CO 0.54 0.69 -0.12 0.35 -0.23 0.00 0.00 178.00 179.23 1jfa h PHE 145 N 1.07 -0.31 -0.83 1.56 3.57 -1.98 -1.76 116.94 118.27 1jfa h PHE 145 Ca 0.40 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.90 1jfa h PHE 145 Cb 0.17 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1jfa h PHE 145 CO -0.00 0.01 0.55 0.00 -2.23 0.00 0.00 178.31 176.64 1jfa h SER 147 N 1.13 0.21 -0.93 0.00 0.02 -1.18 -1.54 113.55 111.27 1jfa h SER 147 Ca 0.31 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 1jfa h SER 147 Cb -0.13 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.30 1jfa h SER 147 CO -0.07 0.16 0.57 0.25 -1.14 0.00 0.00 176.83 176.60 1jfa h LEU 148 N 0.29 0.84 -0.80 5.07 5.85 -0.84 0.23 115.31 125.95 1jfa h LEU 148 Ca 0.10 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1jfa h LEU 148 Cb 0.01 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1jfa h LEU 148 CO -0.06 0.48 0.36 0.78 -0.34 0.00 0.00 178.44 179.65 1jfa h ASN 149 N 0.94 1.07 -0.37 1.25 2.35 -0.95 -0.29 115.58 119.59 1jfa h ASN 149 Ca 0.44 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1jfa h ASN 149 Cb 0.38 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1jfa h ASN 149 CO -0.24 0.92 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.39 1jfa h LEU 150 N 1.14 0.64 -0.34 1.61 4.07 -0.19 -1.77 115.31 120.48 1jfa h LEU 150 Ca 0.27 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1jfa h LEU 150 Cb 0.16 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1jfa h LEU 150 CO -0.03 0.80 0.21 0.40 -1.08 0.00 0.00 178.44 178.74 1jfa h ILE 151 N 0.47 1.11 -0.07 1.22 2.04 -0.73 -2.22 117.51 119.33 1jfa h ILE 151 Ca 0.10 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jfa h ILE 151 Cb 0.47 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1jfa h ILE 151 CO 0.02 0.10 0.03 0.03 0.00 0.00 0.00 178.15 178.33 1jfa h ARG 152 N 0.45 0.11 -0.40 2.37 3.08 -0.98 -2.02 114.38 116.98 1jfa h ARG 152 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1jfa h ARG 152 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1jfa h ARG 152 CO -0.02 0.23 0.25 1.03 -1.07 0.00 0.00 179.97 180.39 1jfa h SER 153 N -0.04 0.47 0.06 7.04 0.87 -1.28 0.21 113.55 120.88 1jfa h SER 153 Ca 0.02 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 1jfa h SER 153 Cb 0.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1jfa h SER 153 CO -0.00 0.35 -0.78 0.74 -0.53 0.00 0.00 176.83 176.61 1jfa h THR 154 N 0.55 1.33 -0.53 2.23 2.02 -1.27 0.29 112.91 117.53 1jfa h THR 154 Ca 0.15 -2.09 -0.10 0.00 0.77 0.00 0.00 66.41 65.14 1jfa h THR 154 Cb -0.04 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1jfa h THR 154 CO -0.03 0.64 -0.08 0.25 0.37 0.00 0.00 175.52 176.67 1jfa h LEU 155 N 0.40 0.95 -0.27 2.58 5.85 -0.59 -1.39 115.31 122.85 1jfa h LEU 155 Ca -0.05 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1jfa h LEU 155 Cb 1.39 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1jfa h LEU 155 CO 0.15 1.06 0.10 0.44 -0.34 0.00 0.00 178.44 179.85 1jfa h ASP 156 N 0.86 0.37 -0.90 1.25 3.32 -0.45 -2.67 116.42 118.21 1jfa h ASP 156 Ca 0.14 -0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.11 1jfa h ASP 156 Cb 0.62 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 1jfa h ASP 156 CO 0.04 0.44 0.54 0.15 -1.72 0.00 0.00 179.24 178.70 1jfa h PHE 157 N 0.28 0.99 -0.43 4.55 3.57 -0.56 0.12 116.94 125.46 1jfa h PHE 157 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1jfa h PHE 157 Cb 0.19 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1jfa h PHE 157 CO -0.01 0.43 0.27 0.35 -2.23 0.00 0.00 178.31 177.12 1jfa h PHE 158 N 0.92 0.55 -0.43 0.41 3.57 -1.02 -0.73 116.94 120.20 1jfa h PHE 158 Ca 0.43 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 1jfa h PHE 158 Cb 0.35 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1jfa h PHE 158 CO -0.03 0.37 0.04 1.49 -2.23 0.00 0.00 178.31 177.94 1jfa h GLU 159 N 0.57 0.68 -0.23 1.11 4.81 -0.91 -2.22 114.58 118.39 1jfa h GLU 159 Ca 0.15 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1jfa h GLU 159 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1jfa h GLU 159 CO -0.03 0.67 0.11 0.78 -0.73 0.00 0.00 179.01 179.80 1jfa h GLY 160 N 0.91 0.30 1.20 1.92 0.00 0.16 -1.42 103.07 106.15 1jfa h GLY 160 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1jfa h GLY 160 CO 0.01 0.06 0.25 0.00 0.00 0.00 0.00 176.54 176.86 1jfa h TRP 162 N 0.99 -0.55 -0.93 0.00 2.91 -0.88 -1.77 115.95 115.73 1jfa h TRP 162 Ca 0.23 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.27 1jfa h TRP 162 Cb 0.22 0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 1jfa h TRP 162 CO 0.02 -0.30 0.62 0.82 -1.03 0.00 0.00 178.44 178.56 1jfa h ILE 163 N -0.40 1.23 0.00 2.65 2.04 -0.90 -2.39 117.51 119.75 1jfa h ILE 163 Ca 0.03 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1jfa h ILE 163 Cb 0.41 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1jfa h ILE 163 CO -0.11 0.23 -0.14 -0.33 0.00 0.00 0.00 178.15 177.80 1jfa h GLU 164 N 1.25 0.00 0.00 2.37 5.08 -0.43 -1.71 114.58 121.13 1jfa h GLU 164 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1jfa h GLU 164 Cb -0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1jfa h GLU 164 CO -0.08 0.14 -0.06 1.96 -1.00 0.00 0.00 179.01 179.97 1jfa h GLN 165 N 0.00 0.00 0.00 2.33 4.20 -0.79 0.37 115.11 121.22 1jfa h GLN 165 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jfa h GLN 165 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1jfa h GLN 165 CO 0.02 0.06 0.00 0.66 -0.67 0.00 0.00 178.83 178.89 1jfa n TYR 166 N -3.57 0.37 -3.62 2.96 4.02 -0.64 -4.93 117.16 111.75 1jfa n TYR 166 Ca -0.02 0.12 -0.28 0.00 -0.01 0.00 0.00 57.90 57.71 1jfa n TYR 166 Cb 0.17 -0.69 0.04 0.00 -0.02 0.00 0.00 39.34 38.83 1jfa n TYR 166 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jfa n ASN 167 N -1.81 -5.57 -4.08 7.72 2.85 0.12 -4.95 115.26 109.55 1jfa n ASN 167 Ca 0.05 -0.91 -0.31 0.00 -0.11 0.00 0.00 54.58 53.30 1jfa n ASN 167 Cb 0.32 -3.42 -0.16 0.00 1.24 0.00 0.00 39.78 37.76 1jfa n ASN 167 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1jfa s PHE 168 N -3.36 2.31 -2.04 1.20 5.36 -1.26 -5.00 117.98 115.19 1jfa s PHE 168 Ca 0.38 -1.23 0.15 0.00 -0.96 0.00 0.00 56.93 55.27 1jfa s PHE 168 Cb -0.14 -1.64 0.43 0.00 -0.34 0.00 0.00 43.02 41.33 1jfa s PHE 168 CO 0.85 -0.63 1.35 0.41 -1.46 0.00 0.00 175.22 175.75 1jfa n GLY 169 N 4.44 1.04 0.00 13.12 0.00 -1.26 -5.01 105.19 117.52 1jfa n GLY 169 Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jfa n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfa n GLY 170 N 1.21 0.64 3.77 -0.02 0.00 -1.26 -4.08 105.19 105.44 1jfa n GLY 170 Ca 0.15 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1jfa n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfa s PHE 171 N -2.66 3.22 0.17 1.61 0.08 -1.26 -4.46 117.98 114.67 1jfa s PHE 171 Ca 0.00 1.59 -0.32 0.00 0.12 0.00 0.00 56.93 58.33 1jfa s PHE 171 Cb 0.00 -3.35 -0.11 0.00 -0.57 0.00 0.00 43.02 38.99 1jfa s PHE 171 CO 0.00 -1.07 1.76 -2.14 -0.10 0.00 0.00 175.22 173.67 1jfa s PRO 172 N -2.09 4.14 0.00 0.24 0.02 -1.26 -1.01 135.00 135.03 1jfa s PRO 172 Ca 0.54 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1jfa s PRO 172 Cb -0.30 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1jfa s PRO 172 CO 0.38 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1jfa n GLY 173 N 4.07 2.04 2.84 0.52 0.00 0.13 -5.00 105.19 109.80 1jfa n GLY 173 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jfa n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfa n SER 174 N 0.00 4.69 0.24 1.61 2.88 -0.18 -4.81 113.62 118.05 1jfa n SER 174 Ca 0.00 -3.02 0.18 0.00 -1.33 0.00 0.00 58.87 54.70 1jfa n SER 174 Cb 0.00 -1.54 0.88 0.00 -0.75 0.00 0.00 64.21 62.80 1jfa n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1jfa h HIS 175 N 5.87 0.00 0.00 0.66 3.86 -1.86 -1.91 115.15 121.78 1jfa h HIS 175 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1jfa h HIS 175 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1jfa h HIS 175 CO 1.32 0.00 -0.39 -0.25 0.86 0.00 0.00 177.93 179.46 1jfa n ASP 176 N -3.57 0.74 0.25 2.45 8.00 -1.26 -4.39 116.55 118.77 1jfa n ASP 176 Ca 0.00 0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.63 1jfa n ASP 176 Cb 0.30 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1jfa n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1jfa h TYR 177 N 0.00 -0.56 -0.56 1.24 3.20 -1.76 -2.92 116.97 115.61 1jfa h TYR 177 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1jfa h TYR 177 Cb 0.74 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 1jfa h TYR 177 CO 0.00 -0.32 -0.40 -1.35 -1.64 0.00 0.00 178.16 174.45 1jfa h PRO 178 N -0.65 -0.08 0.00 1.82 0.11 -1.76 -0.13 132.00 131.30 1jfa h PRO 178 Ca -0.06 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1jfa h PRO 178 Cb 0.49 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1jfa h PRO 178 CO 0.10 -0.05 -0.20 1.96 -0.21 0.00 0.00 178.00 179.59 1jfa h GLN 179 N -0.08 0.00 -0.23 1.05 4.20 -1.85 -0.65 115.11 117.54 1jfa h GLN 179 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1jfa h GLN 179 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1jfa h GLN 179 CO -0.57 0.20 0.06 0.35 -0.67 0.00 0.00 178.83 178.21 1jfa h PHE 180 N 0.00 0.39 -0.31 2.96 3.57 -1.06 -1.19 116.94 121.29 1jfa h PHE 180 Ca -0.00 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1jfa h PHE 180 Cb 0.60 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1jfa h PHE 180 CO 0.00 0.46 -0.32 1.25 -2.23 0.00 0.00 178.31 177.47 1jfa h LEU 181 N 0.20 0.82 -0.52 0.59 5.85 -0.64 -1.92 115.31 119.69 1jfa h LEU 181 Ca 0.07 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1jfa h LEU 181 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1jfa h LEU 181 CO -0.00 1.13 0.33 -0.09 -0.34 0.00 0.00 178.44 179.46 1jfa h ARG 182 N 0.53 0.70 -0.30 1.25 9.65 -1.06 -1.77 114.38 123.39 1jfa h ARG 182 Ca 0.05 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 1jfa h ARG 182 Cb 0.90 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1jfa h ARG 182 CO 0.08 0.49 -0.27 0.00 2.80 0.00 0.00 179.97 183.07 1jfa h ARG 183 N 0.70 0.60 -0.56 0.20 3.08 -1.21 -0.50 114.38 116.69 1jfa h ARG 183 Ca 0.19 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1jfa h ARG 183 Cb -0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1jfa h ARG 183 CO -0.04 0.81 0.24 1.98 -1.07 0.00 0.00 179.97 181.90 1jfa h MET 184 N 0.52 0.44 -0.48 0.04 4.05 -0.58 -2.86 114.93 116.07 1jfa h MET 184 Ca 0.07 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1jfa h MET 184 Cb 0.74 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1jfa h MET 184 CO 0.06 0.29 0.00 0.27 0.23 0.00 0.00 176.91 177.76 1jfa n ASN 185 N -4.94 3.77 0.15 1.39 0.23 -0.74 -2.53 115.26 112.59 1jfa n ASN 185 Ca 0.07 -2.30 0.12 0.00 -0.53 0.00 0.00 54.58 51.94 1jfa n ASN 185 Cb 0.21 -0.42 0.18 0.00 -2.08 0.00 0.00 39.78 37.67 1jfa n ASN 185 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1jfa h GLY 186 N 2.91 0.00 -2.29 4.83 0.00 -0.84 -3.48 103.07 104.21 1jfa h GLY 186 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 1jfa h GLY 186 CO 0.10 0.00 -0.46 1.04 0.00 0.00 0.00 176.54 177.22 1jfa n LEU 187 N -2.70 -1.72 -0.16 3.11 4.77 -1.26 -4.87 117.00 114.16 1jfa n LEU 187 Ca 0.03 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1jfa n LEU 187 Cb 0.50 -2.85 0.06 0.00 -2.33 0.00 0.00 43.42 38.81 1jfa n LEU 187 CO 0.35 -0.54 0.98 1.23 -1.33 0.00 0.00 177.39 178.08 1jfa h GLY 188 N 0.00 0.68 2.00 -0.72 0.00 -1.86 0.79 103.07 103.96 1jfa h GLY 188 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1jfa h GLY 188 CO 0.58 0.04 0.00 0.45 0.00 0.00 0.00 176.54 177.61 1jfa h HIS 189 N 0.40 0.00 0.07 5.60 3.86 -1.88 -0.81 115.15 122.39 1jfa h HIS 189 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1jfa h HIS 189 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1jfa h HIS 189 CO -0.14 0.00 -0.03 0.00 0.86 0.00 0.00 177.93 178.62 1jfa h VAL 191 N -0.67 0.53 -0.77 0.00 2.07 -0.88 -1.34 116.25 115.19 1jfa h VAL 191 Ca -0.01 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.59 1jfa h VAL 191 Cb 0.56 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1jfa h VAL 191 CO 0.01 0.01 0.51 1.23 0.02 0.00 0.00 177.57 179.36 1jfa h GLY 192 N -0.68 0.77 1.19 2.17 0.00 -1.23 -2.27 103.07 103.02 1jfa h GLY 192 Ca -0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 46.82 1jfa h GLY 192 CO 0.11 0.07 -1.50 0.00 0.00 0.00 0.00 176.54 175.22 1jfa h ALA 193 N 1.64 0.68 0.00 3.60 0.00 -1.33 -3.33 119.26 120.52 1jfa h ALA 193 Ca 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1jfa h ALA 193 Cb 0.81 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jfa h ALA 193 CO -0.13 1.39 0.00 -1.13 0.00 0.00 0.00 179.25 179.38 1jfa n SER 194 N -3.08 0.00 -0.01 0.00 3.41 -0.51 -2.44 113.62 110.99 1jfa n SER 194 Ca -0.12 -0.22 0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1jfa n SER 194 Cb 0.99 -0.17 0.81 0.00 -0.26 0.00 0.00 64.21 65.58 1jfa n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jfa n LEU 195 N -1.17 0.04 -3.30 1.04 4.77 -1.17 -4.44 117.00 112.77 1jfa n LEU 195 Ca 0.11 0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1jfa n LEU 195 Cb 0.11 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1jfa n LEU 195 CO 0.12 0.01 -0.01 0.79 -1.33 0.00 0.00 177.39 176.97 1jfa n TRP 196 N -1.17 2.71 -1.69 -1.77 7.02 -1.02 -5.01 117.44 116.50 1jfa n TRP 196 Ca 0.17 -4.00 -0.44 0.00 -1.02 0.00 0.00 57.50 52.22 1jfa n TRP 196 Cb 0.20 -0.50 -0.02 0.00 -2.42 0.00 0.00 31.31 28.57 1jfa n TRP 196 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1jfa n PRO 197 N 0.80 2.20 0.33 -0.99 -0.02 -1.26 -4.70 135.00 131.36 1jfa n PRO 197 Ca 0.28 0.78 0.22 0.00 -2.02 0.00 0.00 63.50 62.76 1jfa n PRO 197 Cb 0.44 -2.45 1.18 0.00 -0.02 0.00 0.00 33.50 32.66 1jfa n PRO 197 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jfa h LYS 198 N 3.95 0.00 0.00 -0.52 2.10 -1.24 0.32 116.57 121.17 1jfa h LYS 198 Ca -0.46 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.12 1jfa h LYS 198 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1jfa h LYS 198 CO 0.73 0.00 -0.34 1.49 -2.00 0.00 0.00 179.45 179.34 1jfa h GLU 199 N 0.00 0.00 0.00 0.07 4.81 -1.88 -3.30 114.58 114.28 1jfa h GLU 199 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1jfa h GLU 199 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1jfa h GLU 199 CO 0.00 0.34 -1.70 1.04 -0.73 0.00 0.00 179.01 177.96 1jfa n GLN 200 N -3.60 1.90 -4.21 1.92 1.13 -0.34 -5.04 117.38 109.14 1jfa n GLN 200 Ca -0.01 -0.02 -0.19 0.00 -1.94 0.00 0.00 57.00 54.84 1jfa n GLN 200 Cb 0.46 -1.27 -0.12 0.00 0.11 0.00 0.00 30.24 29.42 1jfa n GLN 200 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1jfa s PHE 201 N -2.36 1.36 -0.43 1.08 0.40 -0.05 -5.03 117.98 112.94 1jfa s PHE 201 Ca -0.05 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 1jfa s PHE 201 Cb 0.04 -0.73 0.05 0.00 0.51 0.00 0.00 43.02 42.89 1jfa s PHE 201 CO 0.45 0.11 0.32 1.21 0.70 0.00 0.00 175.22 178.01 1jfa s ASN 202 N -2.09 5.98 0.41 1.36 3.84 -1.26 -4.20 114.94 118.98 1jfa s ASN 202 Ca 0.04 -1.21 0.20 0.00 0.21 0.00 0.00 52.86 52.10 1jfa s ASN 202 Cb -0.08 -2.12 1.13 0.00 -0.55 0.00 0.00 41.25 39.64 1jfa s ASN 202 CO 0.03 -0.54 1.77 -0.08 -2.79 0.00 0.00 177.10 175.49 1jfa h GLU 203 N 8.61 0.35 0.22 0.43 4.81 -1.92 0.10 114.58 127.19 1jfa h GLU 203 Ca -0.27 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.60 1jfa h GLU 203 Cb 1.11 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.43 1jfa h GLU 203 CO 0.79 0.23 -1.64 0.00 -0.73 0.00 0.00 179.01 177.67 1jfa h ARG 204 N 0.36 0.46 -0.20 1.92 3.08 -1.98 -2.12 114.38 115.90 1jfa h ARG 204 Ca 0.59 -0.79 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 1jfa h ARG 204 Cb 1.56 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 1jfa h ARG 204 CO -0.28 1.38 -0.37 0.77 -1.07 0.00 0.00 179.97 180.39 1jfa h SER 205 N 0.13 0.47 -0.30 7.04 0.02 -1.71 -3.17 113.55 116.03 1jfa h SER 205 Ca -0.31 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.34 1jfa h SER 205 Cb 2.13 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 64.48 1jfa h SER 205 CO 0.22 0.80 -0.04 0.18 -1.14 0.00 0.00 176.83 176.85 1jfa n LEU 206 N -4.05 3.94 -0.22 5.07 4.77 0.26 -4.77 117.00 122.01 1jfa n LEU 206 Ca -0.01 -3.46 0.02 0.00 -0.03 0.00 0.00 56.01 52.53 1jfa n LEU 206 Cb 0.48 -0.59 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1jfa n LEU 206 CO 0.43 1.01 0.89 0.15 -1.33 0.00 0.00 177.39 178.55 1jfa h PHE 207 N 1.21 0.13 -0.50 -1.77 3.57 -1.35 0.11 116.94 118.34 1jfa h PHE 207 Ca 0.13 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1jfa h PHE 207 Cb 1.55 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 1jfa h PHE 207 CO 0.78 -0.10 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.67 1jfa h LEU 208 N 0.20 0.87 -0.50 0.59 3.38 -1.87 -0.88 115.31 117.11 1jfa h LEU 208 Ca 0.35 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1jfa h LEU 208 Cb 0.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1jfa h LEU 208 CO -0.49 0.98 -0.56 1.05 0.09 0.00 0.00 178.44 179.51 1jfa h GLU 209 N 0.75 0.57 -0.05 1.13 9.09 -1.72 -2.05 114.58 122.29 1jfa h GLU 209 Ca 0.14 -0.36 -0.01 0.00 0.05 0.00 0.00 59.36 59.18 1jfa h GLU 209 Cb 0.54 0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1jfa h GLU 209 CO 0.03 0.97 -0.01 0.82 0.05 0.00 0.00 179.01 180.87 1jfa h ILE 210 N 0.43 1.27 -0.62 -1.06 2.04 -0.72 0.10 117.51 118.96 1jfa h ILE 210 Ca 0.01 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.08 1jfa h ILE 210 Cb 1.11 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1jfa h ILE 210 CO 0.11 0.23 0.33 0.74 0.00 0.00 0.00 178.15 179.56 1jfa h THR 211 N -0.23 0.96 -0.61 -0.27 2.02 -1.19 0.12 112.91 113.71 1jfa h THR 211 Ca 0.01 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1jfa h THR 211 Cb 0.37 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1jfa h THR 211 CO 0.00 0.11 0.26 0.28 0.37 0.00 0.00 175.52 176.55 1jfa h SER 212 N 0.62 0.82 -0.75 4.18 0.02 -1.27 -1.27 113.55 115.91 1jfa h SER 212 Ca 0.28 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jfa h SER 212 Cb 0.18 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1jfa h SER 212 CO -0.18 0.75 0.47 0.00 -1.14 0.00 0.00 176.83 176.73 1jfa h ALA 213 N 1.10 0.95 -0.22 3.77 0.00 0.20 -0.00 119.26 125.07 1jfa h ALA 213 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jfa h ALA 213 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jfa h ALA 213 CO -0.02 0.39 0.10 0.82 0.00 0.00 0.00 179.25 180.54 1jfa h ILE 214 N 1.01 1.14 -0.60 0.00 2.04 -0.45 0.64 117.51 121.29 1jfa h ILE 214 Ca 0.27 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jfa h ILE 214 Cb -0.07 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1jfa h ILE 214 CO -0.05 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.61 1jfa h ALA 215 N 0.96 0.77 0.19 1.87 0.00 -0.90 -1.98 119.26 120.16 1jfa h ALA 215 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1jfa h ALA 215 Cb 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jfa h ALA 215 CO -0.01 0.24 -1.21 1.96 0.00 0.00 0.00 179.25 180.23 1jfa h GLN 216 N 0.82 0.40 0.00 0.00 4.20 -0.86 -3.32 115.11 116.34 1jfa h GLN 216 Ca 0.22 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 1jfa h GLN 216 Cb -0.04 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1jfa h GLN 216 CO -0.04 1.33 -0.13 1.98 -0.67 0.00 0.00 178.83 181.30 1jfa h MET 217 N -0.12 0.00 -0.25 1.46 4.05 0.27 -2.88 114.93 117.46 1jfa h MET 217 Ca -0.22 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.24 1jfa h MET 217 Cb 1.90 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.67 1jfa h MET 217 CO 0.20 0.13 0.03 1.49 0.23 0.00 0.00 176.91 178.99 1jfa h GLU 218 N 0.00 0.12 0.06 0.39 4.81 -1.46 -0.87 114.58 117.62 1jfa h GLU 218 Ca -0.00 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 1jfa h GLU 218 Cb 0.32 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.69 1jfa h GLU 218 CO 0.02 0.08 -1.12 -0.91 -0.73 0.00 0.00 179.01 176.35 1jfa h ASN 219 N 0.12 0.79 0.24 1.04 2.35 -1.70 -2.95 115.58 115.46 1jfa h ASN 219 Ca 0.12 -0.68 -0.01 0.00 -0.55 0.00 0.00 56.30 55.17 1jfa h ASN 219 Cb 0.13 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1jfa h ASN 219 CO -0.17 1.49 -0.12 -0.25 -1.65 0.00 0.00 177.43 176.73 1jfa h TRP 220 N 0.29 -0.30 -0.30 1.19 7.01 -1.43 0.33 115.95 122.74 1jfa h TRP 220 Ca -0.14 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 60.90 1jfa h TRP 220 Cb 1.78 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 28.89 1jfa h TRP 220 CO 0.10 -0.13 0.02 1.98 -2.79 0.00 0.00 178.44 177.61 1jfa h MET 221 N -0.41 0.11 -0.29 2.65 4.05 -1.26 0.99 114.93 120.77 1jfa h MET 221 Ca -0.03 -0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.20 1jfa h MET 221 Cb 0.31 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1jfa h MET 221 CO 0.06 0.07 -0.51 -0.39 0.23 0.00 0.00 176.91 176.36 1jfa h VAL 222 N 0.11 1.28 -0.42 -5.77 -1.51 -1.44 -2.32 116.25 106.18 1jfa h VAL 222 Ca 0.14 -1.70 -0.04 0.00 -1.23 0.00 0.00 66.70 63.87 1jfa h VAL 222 Cb 0.18 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 1jfa h VAL 222 CO -0.22 0.55 0.09 -0.50 -1.23 0.00 0.00 177.57 176.26 1jfa h TRP 223 N 0.63 0.71 -0.92 5.19 6.55 -0.71 -0.32 115.95 127.09 1jfa h TRP 223 Ca 0.02 -0.09 0.01 0.00 0.95 0.00 0.00 58.89 59.78 1jfa h TRP 223 Cb 1.12 -0.20 -0.05 0.00 -0.86 0.00 0.00 29.16 29.18 1jfa h TRP 223 CO 0.07 0.68 0.61 0.28 -1.05 0.00 0.00 178.44 179.04 1jfa h VAL 224 N 0.54 1.23 -0.51 1.49 2.07 -0.82 0.40 116.25 120.66 1jfa h VAL 224 Ca 0.13 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1jfa h VAL 224 Cb 0.34 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1jfa h VAL 224 CO 0.00 0.23 -0.08 -1.13 0.02 0.00 0.00 177.57 176.61 1jfa h ASN 225 N 1.24 0.91 -0.60 0.57 -0.73 -1.00 -1.58 115.58 114.39 1jfa h ASN 225 Ca 0.34 -0.27 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 1jfa h ASN 225 Cb -0.14 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.18 1jfa h ASN 225 CO -0.07 1.01 0.11 0.44 -0.37 0.00 0.00 177.43 178.55 1jfa h ASP 226 N 0.83 0.94 -0.18 1.15 3.32 -0.09 -1.26 116.42 121.13 1jfa h ASP 226 Ca 0.14 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1jfa h ASP 226 Cb 0.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jfa h ASP 226 CO 0.04 0.95 0.06 0.25 -1.72 0.00 0.00 179.24 178.82 1jfa h LEU 227 N 0.89 0.25 -0.75 1.55 5.85 -0.76 -2.05 115.31 120.29 1jfa h LEU 227 Ca 0.18 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1jfa h LEU 227 Cb 0.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1jfa h LEU 227 CO 0.01 0.37 0.20 0.24 -0.34 0.00 0.00 178.44 178.92 1jfa h MET 228 N 0.12 1.15 0.00 1.25 2.86 -1.23 -2.83 114.93 116.25 1jfa h MET 228 Ca 0.06 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1jfa h MET 228 Cb 0.20 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1jfa h MET 228 CO -0.00 0.99 0.00 0.43 1.06 0.00 0.00 176.91 179.39 1jfa n SER 229 N -4.24 0.29 -0.37 1.22 7.64 -0.48 -3.83 113.62 113.85 1jfa n SER 229 Ca 0.06 0.55 -0.01 0.00 1.01 0.00 0.00 58.87 60.47 1jfa n SER 229 Cb 0.24 -0.62 0.12 0.00 -1.01 0.00 0.00 64.21 62.95 1jfa n SER 229 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1jfa h PHE 230 N 0.00 1.25 0.56 1.43 3.57 -1.11 -2.88 116.94 119.76 1jfa h PHE 230 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1jfa h PHE 230 Cb 0.44 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1jfa h PHE 230 CO 0.00 0.77 -0.35 -0.92 -2.23 0.00 0.00 178.31 175.59 1jfa h TYR 231 N 1.34 -0.93 0.00 0.41 3.20 -1.76 -2.40 116.97 116.83 1jfa h TYR 231 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1jfa h TYR 231 Cb -0.13 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1jfa h TYR 231 CO -0.00 -0.53 0.00 1.17 -1.64 0.00 0.00 178.16 177.16 1jfa n LYS 232 N -5.49 0.19 0.00 1.82 4.81 -1.10 -4.03 118.16 114.37 1jfa n LYS 232 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1jfa n LYS 232 Cb 0.38 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.42 1jfa n LYS 232 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jfa n GLU 233 N -0.42 0.00 0.19 1.64 1.02 -0.90 -4.50 120.64 117.67 1jfa n GLU 233 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1jfa n GLU 233 Cb 0.00 -0.54 0.54 0.00 -0.02 0.00 0.00 31.44 31.42 1jfa n GLU 233 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jfa h PHE 234 N 0.00 0.00 0.00 -0.32 -5.15 -1.71 -3.25 116.94 106.51 1jfa h PHE 234 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1jfa h PHE 234 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1jfa h PHE 234 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 172.84 1jfa n ASP 235 N -2.62 0.00 -4.42 -0.68 -0.08 -1.26 -4.52 116.55 102.98 1jfa n ASP 235 Ca 0.02 0.09 -0.44 0.00 -1.51 0.00 0.00 54.79 52.95 1jfa n ASP 235 Cb 0.30 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.70 1jfa n ASP 235 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1jfa s ASP 236 N -1.81 6.21 -0.28 1.67 1.01 -1.25 -5.03 116.67 117.19 1jfa s ASP 236 Ca 0.00 -1.10 0.01 0.00 0.71 0.00 0.00 52.55 52.17 1jfa s ASP 236 Cb 0.00 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.72 1jfa s ASP 236 CO 0.00 -0.95 0.03 -0.70 0.21 0.00 0.00 175.17 173.76 1jfa s GLU 237 N 2.60 1.19 0.42 8.23 2.12 -1.23 -4.66 118.70 127.37 1jfa s GLU 237 Ca 0.13 -1.17 -0.24 0.00 0.36 0.00 0.00 54.97 54.05 1jfa s GLU 237 Cb -0.21 -2.48 -0.08 0.00 0.26 0.00 0.00 34.13 31.62 1jfa s GLU 237 CO 0.10 -0.82 1.10 1.03 -0.54 0.00 0.00 175.26 176.13 1jfa s ARG 238 N 1.40 3.99 -0.76 4.30 1.81 -1.26 -4.77 118.95 123.65 1jfa s ARG 238 Ca 0.04 1.64 -0.24 0.00 -1.72 0.00 0.00 55.73 55.45 1jfa s ARG 238 Cb -0.18 -2.49 -0.16 0.00 -0.45 0.00 0.00 34.95 31.67 1jfa s ARG 238 CO -0.14 -0.32 2.40 -0.25 -0.68 0.00 0.00 175.30 176.31 1jfa n ASP 239 N -0.25 1.37 -4.47 0.23 8.00 -1.26 -4.92 116.55 115.26 1jfa n ASP 239 Ca 0.06 -1.05 -0.26 0.00 0.71 0.00 0.00 54.79 54.25 1jfa n ASP 239 Cb 0.49 -1.45 0.14 0.00 -0.02 0.00 0.00 41.12 40.28 1jfa n ASP 239 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1jfa s GLN 240 N 8.52 1.29 -0.44 -1.24 -1.52 -1.26 -5.07 119.66 119.94 1jfa s GLN 240 Ca 1.02 -0.73 0.10 0.00 -1.95 0.00 0.00 55.36 53.79 1jfa s GLN 240 Cb -0.31 -2.11 0.33 0.00 -0.22 0.00 0.00 33.01 30.70 1jfa s GLN 240 CO 0.21 -1.84 0.76 0.44 -0.25 0.00 0.00 175.29 174.61 1jfa n ILE 241 N -3.24 0.67 -1.57 1.08 -5.35 -1.26 -4.99 119.36 104.71 1jfa n ILE 241 Ca 0.14 -4.79 -0.30 0.00 -0.27 0.00 0.00 62.75 57.54 1jfa n ILE 241 Cb 0.60 -0.84 0.09 0.00 -1.74 0.00 0.00 39.64 37.75 1jfa n ILE 241 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jfa s SER 242 N -2.53 4.58 0.23 7.28 1.04 -1.26 -4.76 113.70 118.28 1jfa s SER 242 Ca 0.42 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 1jfa s SER 242 Cb 0.30 -2.07 0.37 0.00 0.10 0.00 0.00 66.02 64.73 1jfa s SER 242 CO -0.09 -1.91 1.75 0.25 0.98 0.00 0.00 173.24 174.21 1jfa h LEU 243 N -1.05 0.32 -0.18 2.42 5.85 -1.98 0.30 115.31 120.99 1jfa h LEU 243 Ca -0.47 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1jfa h LEU 243 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1jfa h LEU 243 CO 0.59 0.16 -0.02 0.58 -0.34 0.00 0.00 178.44 179.41 1jfa h VAL 244 N 0.48 1.27 -0.19 1.05 2.07 -1.92 -1.44 116.25 117.57 1jfa h VAL 244 Ca 0.37 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1jfa h VAL 244 Cb 0.48 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1jfa h VAL 244 CO -0.34 0.28 0.00 0.11 0.02 0.00 0.00 177.57 177.64 1jfa h LYS 245 N 0.06 0.27 0.00 1.57 1.57 -1.71 -2.03 116.57 116.31 1jfa h LYS 245 Ca 0.05 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1jfa h LYS 245 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1jfa h LYS 245 CO 0.01 0.30 -0.77 -0.91 -0.57 0.00 0.00 179.45 177.51 1jfa h ASN 246 N 0.27 0.00 -0.58 0.86 2.35 -0.24 -2.24 115.58 116.00 1jfa h ASN 246 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1jfa h ASN 246 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1jfa h ASN 246 CO 0.00 0.77 0.31 1.88 -1.65 0.00 0.00 177.43 178.74 1jfa h TYR 247 N 0.00 0.80 0.56 1.19 0.05 -0.56 0.32 116.97 119.34 1jfa h TYR 247 Ca -0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1jfa h TYR 247 Cb 1.39 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.87 1jfa h TYR 247 CO 0.00 0.59 -0.32 0.28 -1.05 0.00 0.00 178.16 177.66 1jfa h VAL 248 N 0.78 0.34 -0.27 -2.88 2.07 -1.29 0.23 116.25 115.24 1jfa h VAL 248 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1jfa h VAL 248 Cb 0.06 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1jfa h VAL 248 CO -0.03 0.00 0.11 0.58 0.02 0.00 0.00 177.57 178.25 1jfa h VAL 249 N -0.83 1.17 0.07 2.57 2.07 -1.24 -1.29 116.25 118.77 1jfa h VAL 249 Ca -0.07 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 1jfa h VAL 249 Cb 0.66 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1jfa h VAL 249 CO 0.09 0.18 -0.54 0.28 0.02 0.00 0.00 177.57 177.60 1jfa h SER 250 N 0.28 0.35 0.38 0.57 0.02 -0.38 -3.34 113.55 111.42 1jfa h SER 250 Ca 0.09 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1jfa h SER 250 Cb 0.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1jfa h SER 250 CO -0.01 1.23 -0.15 0.47 -1.14 0.00 0.00 176.83 177.23 1jfa n ASP 251 N -4.29 0.55 -3.48 3.07 8.00 0.80 0.20 116.55 121.40 1jfa n ASP 251 Ca -0.12 -0.56 -0.23 0.00 0.71 0.00 0.00 54.79 54.58 1jfa n ASP 251 Cb 0.69 -0.04 0.06 0.00 -0.02 0.00 0.00 41.12 41.80 1jfa n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jfa n GLU 252 N -0.95 -1.93 -4.38 -1.24 1.02 -0.51 -4.91 120.64 107.74 1jfa n GLU 252 Ca 0.13 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.73 1jfa n GLU 252 Cb 0.29 -4.98 -0.10 0.00 -0.02 0.00 0.00 31.44 26.64 1jfa n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1jfa s ILE 253 N -3.44 0.63 0.56 -3.67 -4.36 -1.10 -5.06 121.20 104.75 1jfa s ILE 253 Ca 0.44 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.68 1jfa s ILE 253 Cb -0.11 -2.58 -0.06 0.00 1.25 0.00 0.00 42.46 40.96 1jfa s ILE 253 CO 0.80 0.00 1.01 -0.94 0.24 0.00 0.00 174.94 176.05 1jfa s SER 254 N -3.42 6.30 0.61 4.36 1.04 -1.26 -4.52 113.70 116.82 1jfa s SER 254 Ca 0.34 1.62 0.31 0.00 0.48 0.00 0.00 55.95 58.71 1jfa s SER 254 Cb 0.06 -2.51 1.75 0.00 0.10 0.00 0.00 66.02 65.42 1jfa s SER 254 CO 0.15 -0.81 2.09 0.25 0.98 0.00 0.00 173.24 175.91 1jfa h LEU 255 N 0.58 0.00 0.03 2.42 5.85 -1.97 -0.51 115.31 121.71 1jfa h LEU 255 Ca -0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1jfa h LEU 255 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1jfa h LEU 255 CO 0.60 0.00 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.95 1jfa h HIS 256 N 0.00 -0.03 -0.88 1.25 2.76 -1.98 -2.40 115.15 113.86 1jfa h HIS 256 Ca 0.07 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 1jfa h HIS 256 Cb 0.50 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.40 1jfa h HIS 256 CO 0.00 0.68 0.52 0.93 -1.30 0.00 0.00 177.93 178.76 1jfa h GLU 257 N -0.88 0.83 -0.21 5.26 5.08 -1.65 0.18 114.58 123.20 1jfa h GLU 257 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jfa h GLU 257 Cb 0.73 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1jfa h GLU 257 CO 0.01 0.55 0.13 0.00 -1.00 0.00 0.00 179.01 178.70 1jfa h ALA 258 N 1.48 0.26 0.00 3.43 0.00 -1.19 -0.63 119.26 122.60 1jfa h ALA 258 Ca 0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1jfa h ALA 258 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jfa h ALA 258 CO -0.25 -0.27 -0.26 1.25 0.00 0.00 0.00 179.25 179.72 1jfa h LEU 259 N 0.27 0.00 -0.30 0.00 5.85 -0.74 -1.88 115.31 118.52 1jfa h LEU 259 Ca 0.08 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 1jfa h LEU 259 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jfa h LEU 259 CO -0.03 0.26 -0.69 -0.08 -0.34 0.00 0.00 178.44 177.56 1jfa h GLU 260 N 0.00 0.68 0.45 1.25 4.57 0.06 -2.12 114.58 119.47 1jfa h GLU 260 Ca -0.00 -0.51 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1jfa h GLU 260 Cb 0.51 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1jfa h GLU 260 CO 0.03 1.13 -0.22 -0.22 -1.18 0.00 0.00 179.01 178.56 1jfa h LYS 261 N 0.49 -0.59 -0.61 1.92 3.64 -0.61 -1.52 116.57 119.29 1jfa h LYS 261 Ca -0.03 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1jfa h LYS 261 Cb 1.29 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 33.15 1jfa h LYS 261 CO 0.14 -0.38 0.12 1.25 -2.27 0.00 0.00 179.45 178.31 1jfa h LEU 262 N -0.62 -0.01 -0.84 5.20 5.85 -1.34 -1.27 115.31 122.28 1jfa h LEU 262 Ca -0.06 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1jfa h LEU 262 Cb 0.47 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1jfa h LEU 262 CO 0.10 -0.00 0.01 0.71 -0.34 0.00 0.00 178.44 178.92 1jfa h THR 263 N 0.25 1.25 -0.56 1.05 1.35 -1.15 0.64 112.91 115.74 1jfa h THR 263 Ca 0.32 -1.03 -0.09 0.00 -0.55 0.00 0.00 66.41 65.06 1jfa h THR 263 Cb 0.49 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1jfa h THR 263 CO -0.42 0.37 -0.01 1.56 -0.25 0.00 0.00 175.52 176.77 1jfa h GLN 264 N 0.82 0.97 -0.30 4.72 4.20 -0.44 -0.11 115.11 124.96 1jfa h GLN 264 Ca 0.16 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 1jfa h GLN 264 Cb 0.47 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1jfa h GLN 264 CO 0.02 0.96 -0.27 -0.44 -0.67 0.00 0.00 178.83 178.43 1jfa h ASP 265 N 0.89 0.76 -0.41 1.46 3.32 -0.97 -1.71 116.42 119.76 1jfa h ASP 265 Ca 0.16 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1jfa h ASP 265 Cb 0.54 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1jfa h ASP 265 CO 0.03 1.06 0.17 0.74 -1.72 0.00 0.00 179.24 179.52 1jfa h THR 266 N 0.47 1.19 -0.26 0.35 2.02 -0.66 0.39 112.91 116.42 1jfa h THR 266 Ca 0.05 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 1jfa h THR 266 Cb 0.84 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1jfa h THR 266 CO 0.07 0.21 -0.31 -0.07 0.37 0.00 0.00 175.52 175.79 1jfa h LEU 267 N 0.52 0.73 -0.85 2.58 3.38 -1.04 -1.96 115.31 118.67 1jfa h LEU 267 Ca 0.14 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1jfa h LEU 267 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jfa h LEU 267 CO -0.01 1.07 0.19 -0.74 0.09 0.00 0.00 178.44 179.04 1jfa h HIS 268 N 0.40 1.08 -0.65 1.13 2.76 -1.25 -0.22 115.15 118.39 1jfa h HIS 268 Ca 0.03 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1jfa h HIS 268 Cb 0.89 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1jfa h HIS 268 CO 0.08 0.87 0.34 1.03 -1.30 0.00 0.00 177.93 178.95 1jfa h SER 269 N 1.00 0.84 0.14 3.26 0.87 -0.83 -1.19 113.55 117.64 1jfa h SER 269 Ca 0.22 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1jfa h SER 269 Cb 0.31 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1jfa h SER 269 CO -0.00 0.71 -0.07 0.28 -0.53 0.00 0.00 176.83 177.22 1jfa h SER 270 N 0.90 -0.16 -0.55 6.23 0.02 -0.86 -0.19 113.55 118.94 1jfa h SER 270 Ca 0.23 -0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 1jfa h SER 270 Cb 0.08 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 1jfa h SER 270 CO -0.03 0.04 0.06 0.50 -1.14 0.00 0.00 176.83 176.26 1jfa h LYS 271 N -0.35 0.18 0.00 3.45 3.64 -0.85 -1.26 116.57 121.37 1jfa h LYS 271 Ca -0.02 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1jfa h LYS 271 Cb 0.28 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1jfa h LYS 271 CO 0.03 0.12 -0.47 1.96 -2.27 0.00 0.00 179.45 178.82 1jfa h GLN 272 N 0.18 0.00 -0.61 1.90 1.08 -1.10 -1.79 115.11 114.77 1jfa h GLN 272 Ca 0.28 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1jfa h GLN 272 Cb 0.42 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1jfa h GLN 272 CO -0.41 0.47 0.31 1.98 -0.95 0.00 0.00 178.83 180.22 1jfa h MET 273 N 0.00 0.87 -0.01 1.46 4.05 0.15 -2.10 114.93 119.35 1jfa h MET 273 Ca -0.00 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1jfa h MET 273 Cb 0.91 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1jfa h MET 273 CO 0.06 0.69 -0.02 0.28 0.23 0.00 0.00 176.91 178.16 1jfa h VAL 274 N 0.84 1.42 -0.90 -5.77 2.07 -1.23 -2.79 116.25 109.90 1jfa h VAL 274 Ca 0.21 -1.28 0.17 0.00 0.82 0.00 0.00 66.70 66.62 1jfa h VAL 274 Cb 0.10 2.26 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1jfa h VAL 274 CO -0.03 0.34 0.48 0.00 0.02 0.00 0.00 177.57 178.38 1jfa h ALA 275 N 0.47 1.40 0.02 1.67 0.00 -1.25 -1.03 119.26 120.54 1jfa h ALA 275 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1jfa h ALA 275 Cb 0.56 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jfa h ALA 275 CO 0.00 -0.11 -0.58 0.28 0.00 0.00 0.00 179.25 178.84 1jfa h VAL 276 N 0.64 1.46 0.00 0.00 2.07 -1.43 -3.39 116.25 115.59 1jfa h VAL 276 Ca 0.51 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1jfa h VAL 276 Cb 0.77 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1jfa h VAL 276 CO -0.39 0.61 -0.97 0.49 0.02 0.00 0.00 177.57 177.33 1jfa n PHE 277 N -4.24 0.17 -0.18 1.57 3.72 -1.05 -4.47 117.46 112.97 1jfa n PHE 277 Ca -0.11 0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1jfa n PHE 277 Cb 0.67 -0.33 0.07 0.00 -0.94 0.00 0.00 39.48 38.95 1jfa n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1jfa h SER 278 N 0.00 -0.30 -0.57 4.37 0.02 -1.39 -1.84 113.55 113.85 1jfa h SER 278 Ca 0.00 0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 1jfa h SER 278 Cb 0.66 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 1jfa h SER 278 CO 0.00 -0.11 0.17 -0.90 -1.14 0.00 0.00 176.83 174.85 1jfa n ASP 279 N -5.28 4.41 -4.57 3.07 5.75 -1.26 -4.93 116.55 113.74 1jfa n ASP 279 Ca 0.07 -2.92 -0.21 0.00 -0.01 0.00 0.00 54.79 51.72 1jfa n ASP 279 Cb 0.31 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 39.74 1jfa n ASP 279 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jfa n LYS 280 N 0.08 0.72 -1.46 0.11 4.01 -0.69 -4.99 118.16 115.93 1jfa n LYS 280 Ca 0.30 -2.96 -0.57 0.00 -0.51 0.00 0.00 58.31 54.58 1jfa n LYS 280 Cb 1.15 0.11 -0.08 0.00 -0.51 0.00 0.00 35.03 35.70 1jfa n LYS 280 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1jfa n ASP 281 N -2.07 0.92 -0.01 4.39 -0.08 -1.26 -4.72 116.55 113.72 1jfa n ASP 281 Ca 0.05 1.01 0.13 0.00 -1.51 0.00 0.00 54.79 54.47 1jfa n ASP 281 Cb 0.55 -0.75 0.57 0.00 2.34 0.00 0.00 41.12 43.83 1jfa n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jfa h PRO 282 N 4.06 0.24 -0.43 -0.67 0.13 -1.92 -1.50 132.00 131.92 1jfa h PRO 282 Ca -0.38 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 1jfa h PRO 282 Cb 1.17 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1jfa h PRO 282 CO 0.80 0.16 -0.27 0.37 -0.23 0.00 0.00 178.00 178.83 1jfa h GLN 283 N 0.25 0.92 0.66 0.86 4.15 -2.00 -2.05 115.11 117.91 1jfa h GLN 283 Ca 0.23 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 1jfa h GLN 283 Cb 0.58 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.26 1jfa h GLN 283 CO -0.05 1.08 -0.32 0.28 -1.93 0.00 0.00 178.83 177.89 1jfa h VAL 284 N 0.78 0.31 -0.82 2.39 2.07 -1.65 -2.15 116.25 117.18 1jfa h VAL 284 Ca 0.09 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.67 1jfa h VAL 284 Cb 0.84 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1jfa h VAL 284 CO 0.07 0.02 0.55 -0.03 0.02 0.00 0.00 177.57 178.20 1jfa h MET 285 N -0.98 0.38 -0.14 1.57 1.85 -1.36 -0.39 114.93 115.87 1jfa h MET 285 Ca -0.09 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 1jfa h MET 285 Cb 0.71 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.65 1jfa h MET 285 CO 0.15 0.25 -0.08 0.22 -0.40 0.00 0.00 176.91 177.06 1jfa h ASP 286 N 0.39 0.31 -0.54 1.39 3.58 -1.17 0.84 116.42 121.23 1jfa h ASP 286 Ca 0.41 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1jfa h ASP 286 Cb 1.02 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1jfa h ASP 286 CO -0.14 0.66 0.28 0.74 -2.88 0.00 0.00 179.24 177.90 1jfa h THR 287 N -0.04 1.19 -0.35 2.25 2.02 -0.61 0.16 112.91 117.54 1jfa h THR 287 Ca 0.03 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1jfa h THR 287 Cb 0.55 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1jfa h THR 287 CO 0.02 0.21 0.13 0.40 0.37 0.00 0.00 175.52 176.66 1jfa h ILE 288 N 0.73 1.19 -0.34 3.11 2.04 -1.06 -0.85 117.51 122.33 1jfa h ILE 288 Ca 0.19 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1jfa h ILE 288 Cb 0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1jfa h ILE 288 CO -0.03 0.21 -0.08 -0.08 0.00 0.00 0.00 178.15 178.17 1jfa h GLU 289 N 0.42 0.66 -0.43 2.37 4.81 -0.59 -2.12 114.58 119.69 1jfa h GLU 289 Ca 0.12 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1jfa h GLU 289 Cb 0.20 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1jfa h GLU 289 CO -0.01 0.83 0.05 0.00 -0.73 0.00 0.00 179.01 179.15 1jfa h PHE 291 N 0.64 0.60 -0.18 0.00 3.57 -0.98 0.18 116.94 120.77 1jfa h PHE 291 Ca 0.14 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1jfa h PHE 291 Cb 0.32 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1jfa h PHE 291 CO 0.01 0.67 0.10 0.52 -2.23 0.00 0.00 178.31 177.38 1jfa h MET 292 N 0.36 0.24 -0.12 1.11 2.86 -1.03 0.27 114.93 118.62 1jfa h MET 292 Ca 0.09 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1jfa h MET 292 Cb 0.42 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jfa h MET 292 CO 0.01 0.21 -0.02 0.45 1.06 0.00 0.00 176.91 178.63 1jfa h HIS 293 N 0.20 0.25 -0.56 -0.22 3.86 -1.13 -1.97 115.15 115.58 1jfa h HIS 293 Ca 0.06 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1jfa h HIS 293 Cb 0.04 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1jfa h HIS 293 CO -0.05 0.50 0.32 0.78 0.86 0.00 0.00 177.93 180.34 1jfa h GLY 294 N -0.07 0.80 1.17 2.45 0.00 -0.56 0.51 103.07 107.38 1jfa h GLY 294 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1jfa h GLY 294 CO 0.01 0.17 0.56 -1.82 0.00 0.00 0.00 176.54 175.46 1jfa h TYR 295 N 0.62 1.07 -0.08 5.60 3.20 -0.38 0.13 116.97 127.12 1jfa h TYR 295 Ca 0.24 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1jfa h TYR 295 Cb 0.09 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1jfa h TYR 295 CO -0.08 0.67 -0.26 0.28 -1.64 0.00 0.00 178.16 177.13 1jfa h VAL 296 N 1.15 1.41 -0.45 1.81 2.07 -0.74 -2.80 116.25 118.71 1jfa h VAL 296 Ca 0.31 -1.63 0.09 0.00 0.82 0.00 0.00 66.70 66.29 1jfa h VAL 296 Cb -0.13 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1jfa h VAL 296 CO -0.07 0.47 -0.02 0.74 0.02 0.00 0.00 177.57 178.71 1jfa h THR 297 N -0.16 0.64 -0.76 2.57 2.02 -0.49 -0.96 112.91 115.77 1jfa h THR 297 Ca -0.01 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1jfa h THR 297 Cb 0.89 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1jfa h THR 297 CO 0.06 0.02 0.44 -0.25 0.37 0.00 0.00 175.52 176.15 1jfa h TRP 298 N 0.09 0.81 -0.64 3.16 7.01 -0.75 -0.19 115.95 125.43 1jfa h TRP 298 Ca 0.22 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.18 1jfa h TRP 298 Cb 0.33 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1jfa h TRP 298 CO -0.31 0.38 0.13 0.45 -2.79 0.00 0.00 178.44 176.31 1jfa h HIS 299 N 0.79 1.10 -0.20 2.65 3.86 -1.01 -0.70 115.15 121.64 1jfa h HIS 299 Ca 0.34 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 1jfa h HIS 299 Cb 0.22 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1jfa h HIS 299 CO -0.06 0.92 -0.36 -0.07 0.86 0.00 0.00 177.93 179.22 1jfa h LEU 300 N 0.96 0.46 0.00 2.43 3.38 -0.53 -3.32 115.31 118.69 1jfa h LEU 300 Ca 0.20 -0.19 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1jfa h LEU 300 Cb 0.39 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1jfa h LEU 300 CO 0.01 0.79 -1.43 0.00 0.09 0.00 0.00 178.44 177.89 1jfa s ASP 302 N -6.11 7.12 0.49 0.00 -1.08 -0.28 -4.90 116.67 111.91 1jfa s ASP 302 Ca -0.03 1.73 0.17 0.00 -0.52 0.00 0.00 52.55 53.91 1jfa s ASP 302 Cb 0.08 -2.56 1.21 0.00 -1.46 0.00 0.00 42.92 40.20 1jfa s ASP 302 CO 0.81 -0.52 2.05 0.03 0.52 0.00 0.00 175.17 178.06 1jfa h ARG 303 N 7.29 0.15 -1.19 4.34 3.08 -1.89 -2.50 114.38 123.66 1jfa h ARG 303 Ca -0.34 -0.01 0.37 0.00 0.07 0.00 0.00 59.98 60.08 1jfa h ARG 303 Cb 1.16 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 1jfa h ARG 303 CO 0.86 0.10 0.75 -0.09 -1.07 0.00 0.00 179.97 180.52 1jfa h ARG 304 N 0.15 0.19 -0.01 0.04 2.43 -1.93 0.79 114.38 116.04 1jfa h ARG 304 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1jfa h ARG 304 Cb 0.43 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1jfa h ARG 304 CO -0.02 0.13 -0.20 0.66 -1.51 0.00 0.00 179.97 179.02 1jfa n TYR 305 N -4.75 0.00 -3.03 2.20 4.01 -0.94 -4.94 117.16 109.71 1jfa n TYR 305 Ca 0.33 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.94 1jfa n TYR 305 Cb 1.21 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 40.10 1jfa n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jfa n ARG 306 N -0.67 -2.50 0.28 -0.72 1.74 0.27 -4.45 116.66 110.61 1jfa n ARG 306 Ca 0.13 0.16 0.17 0.00 -0.77 0.00 0.00 57.85 57.55 1jfa n ARG 306 Cb 0.33 -4.72 0.77 0.00 -1.02 0.00 0.00 32.46 27.82 1jfa n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jfa h LEU 307 N -0.31 0.00 -1.08 0.55 3.38 -1.83 -2.64 115.31 113.38 1jfa h LEU 307 Ca -0.21 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.88 1jfa h LEU 307 Cb 1.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1jfa h LEU 307 CO 0.29 0.03 0.62 0.77 0.09 0.00 0.00 178.44 180.24 1jfa h SER 308 N 0.00 0.86 -0.89 -0.43 4.64 -1.86 0.11 113.55 115.98 1jfa h SER 308 Ca -0.00 0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 1jfa h SER 308 Cb 0.43 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 1jfa h SER 308 CO 0.00 0.45 0.58 -0.33 -0.87 0.00 0.00 176.83 176.66 1jfa h GLU 309 N 0.91 0.86 -0.64 4.77 5.08 -1.85 0.10 114.58 123.81 1jfa h GLU 309 Ca 0.49 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.72 1jfa h GLU 309 Cb 0.55 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1jfa h GLU 309 CO -0.25 0.57 0.09 0.82 -1.00 0.00 0.00 179.01 179.24 1jfa h ILE 310 N 0.89 1.26 0.23 3.13 2.04 -0.94 -3.16 117.51 120.95 1jfa h ILE 310 Ca 0.41 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1jfa h ILE 310 Cb 0.41 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1jfa h ILE 310 CO -0.18 0.38 -0.51 0.22 0.00 0.00 0.00 178.15 178.07 1jfa h TYR 311 N 0.99 -1.45 0.03 1.37 3.20 -0.57 -3.15 116.97 117.39 1jfa h TYR 311 Ca 0.19 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1jfa h TYR 311 Cb 0.44 0.60 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 1jfa h TYR 311 CO 0.03 -0.60 -0.50 0.93 -1.64 0.00 0.00 178.16 176.38 1jfa h GLU 312 N -0.81 -0.65 0.00 1.82 5.08 -1.52 -1.02 114.58 117.48 1jfa h GLU 312 Ca -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jfa h GLU 312 Cb 0.77 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1jfa h GLU 312 CO -0.21 -0.43 0.00 1.63 -1.00 0.00 0.00 179.01 179.00 1jfa n LYS 313 N -5.47 0.01 0.00 2.33 5.02 -1.20 -2.61 118.16 116.24 1jfa n LYS 313 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1jfa n LYS 313 Cb 0.40 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1jfa n LYS 313 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1jfa n VAL 314 N -0.52 0.00 0.28 -0.18 0.24 -0.49 -4.92 118.33 112.74 1jfa n VAL 314 Ca 0.00 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 62.13 1jfa n VAL 314 Cb 0.00 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.30 1jfa n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1jfa h LYS 315 N 0.00 -0.66 -2.63 7.34 3.64 -1.04 -2.89 116.57 120.34 1jfa h LYS 315 Ca 0.00 0.04 -0.49 0.00 -1.27 0.00 0.00 60.65 58.94 1jfa h LYS 315 Cb 0.01 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jfa h LYS 315 CO 0.00 -0.38 2.25 0.39 -2.27 0.00 0.00 179.45 179.44 1jfa n GLU 316 N -5.34 3.05 -4.25 1.90 4.71 -1.26 -4.73 120.64 114.73 1jfa n GLU 316 Ca -0.12 -1.74 -0.14 0.00 -0.01 0.00 0.00 57.16 55.16 1jfa n GLU 316 Cb 0.31 -2.49 -0.10 0.00 -1.01 0.00 0.00 31.44 28.14 1jfa n GLU 316 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1jfa s GLU 317 N 1.74 1.18 -0.28 3.49 2.56 -1.09 -5.15 118.70 121.15 1jfa s GLU 317 Ca 0.69 -1.60 -0.01 0.00 0.00 0.00 0.00 54.97 54.05 1jfa s GLU 317 Cb 0.23 -0.14 0.14 0.00 2.00 0.00 0.00 34.13 36.36 1jfa s GLU 317 CO -0.04 -0.23 0.32 -1.59 -0.56 0.00 0.00 175.26 173.17 1jfa s LYS 318 N -4.00 0.33 0.25 4.30 -2.85 -1.26 -4.83 119.74 111.69 1jfa s LYS 318 Ca 0.30 0.02 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 1jfa s LYS 318 Cb 0.07 -0.62 0.02 0.00 -2.06 0.00 0.00 37.83 35.24 1jfa s LYS 318 CO 0.07 -0.95 0.42 -2.37 0.10 0.00 0.00 175.35 172.62 1jfa n THR 319 N 5.33 0.00 1.25 3.79 5.66 -1.26 -5.01 114.28 124.03 1jfa n THR 319 Ca -0.02 -1.02 0.13 0.00 -3.05 0.00 0.00 64.05 60.09 1jfa n THR 319 Cb 0.48 0.73 0.66 0.00 -1.55 0.00 0.00 70.33 70.64 1jfa n THR 319 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1jfa n GLU 320 N -0.39 0.40 0.00 1.09 4.07 -1.26 -3.50 120.64 121.05 1jfa n GLU 320 Ca -0.02 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1jfa n GLU 320 Cb 0.41 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1jfa n GLU 320 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jfa n ASP 321 N -1.26 0.00 -0.49 4.31 8.00 -1.26 -4.37 116.55 121.49 1jfa n ASP 321 Ca 0.13 0.00 0.42 0.00 0.71 0.00 0.00 54.79 56.05 1jfa n ASP 321 Cb 0.19 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 41.98 1jfa n ASP 321 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfa h ALA 322 N 0.00 3.46 0.17 2.24 0.00 -1.89 1.39 119.26 124.62 1jfa h ALA 322 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jfa h ALA 322 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jfa h ALA 322 CO 0.00 -2.08 -0.08 0.37 0.00 0.00 0.00 179.25 177.46 1jfa h GLN 323 N 0.00 -0.22 -0.92 0.00 5.75 -1.85 -2.83 115.11 115.04 1jfa h GLN 323 Ca 0.74 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 59.36 1jfa h GLN 323 Cb 3.30 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 31.82 1jfa h GLN 323 CO -0.01 -0.12 0.55 0.87 -2.65 0.00 0.00 178.83 177.48 1jfa h LYS 324 N -1.06 0.87 0.20 1.69 1.57 0.03 -1.64 116.57 118.23 1jfa h LYS 324 Ca -0.02 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1jfa h LYS 324 Cb 0.20 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1jfa h LYS 324 CO 0.04 0.57 -0.50 0.35 -0.57 0.00 0.00 179.45 179.34 1jfa h PHE 325 N 0.89 -1.43 -0.72 -1.35 3.57 0.14 -1.28 116.94 116.75 1jfa h PHE 325 Ca 0.45 0.03 0.01 0.00 3.53 0.00 0.00 57.97 62.00 1jfa h PHE 325 Cb 0.45 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1jfa h PHE 325 CO -0.03 -0.59 0.48 0.00 -2.23 0.00 0.00 178.31 175.94 1jfa h LYS 327 N 0.97 0.98 0.22 0.00 1.57 -0.81 0.68 116.57 120.17 1jfa h LYS 327 Ca 0.27 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1jfa h LYS 327 Cb -0.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1jfa h LYS 327 CO -0.06 0.65 -0.10 0.74 -0.57 0.00 0.00 179.45 180.10 1jfa h PHE 328 N 1.01 -0.27 -0.78 -1.35 0.04 -0.03 -2.74 116.94 112.82 1jfa h PHE 328 Ca 0.45 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.39 1jfa h PHE 328 Cb 0.35 0.09 -0.14 0.00 2.20 0.00 0.00 35.95 38.44 1jfa h PHE 328 CO -0.02 0.03 -0.05 -0.92 -0.60 0.00 0.00 178.31 176.75 1jfa h TYR 329 N -0.99 -0.16 -0.65 -0.55 5.03 0.26 0.40 116.97 120.32 1jfa h TYR 329 Ca -0.03 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.35 1jfa h TYR 329 Cb 0.42 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.86 1jfa h TYR 329 CO 0.05 -0.28 0.42 0.93 -1.32 0.00 0.00 178.16 177.96 1jfa h GLU 330 N 0.06 0.83 -0.49 1.82 5.08 0.26 -1.91 114.58 120.24 1jfa h GLU 330 Ca 0.41 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 1jfa h GLU 330 Cb 0.72 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1jfa h GLU 330 CO -0.72 0.55 0.20 1.96 -1.00 0.00 0.00 179.01 180.00 1jfa h GLN 331 N 0.86 0.38 0.19 2.33 4.20 0.03 -1.95 115.11 121.15 1jfa h GLN 331 Ca 0.24 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.93 1jfa h GLN 331 Cb -0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1jfa h GLN 331 CO -0.06 0.25 -0.21 0.00 -0.67 0.00 0.00 178.83 178.14 1jfa h ALA 332 N 1.31 -0.41 -1.00 3.87 0.00 -0.54 -2.76 119.26 119.73 1jfa h ALA 332 Ca 0.23 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1jfa h ALA 332 Cb 0.21 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1jfa h ALA 332 CO -0.21 -0.76 0.62 0.00 0.00 0.00 0.00 179.25 178.90 1jfa h ALA 333 N 0.30 1.69 -0.33 0.00 0.00 -0.93 1.09 119.26 121.08 1jfa h ALA 333 Ca 0.01 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1jfa h ALA 333 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jfa h ALA 333 CO -0.07 -0.03 0.24 -0.91 0.00 0.00 0.00 179.25 178.48 1jfa h ASN 334 N 0.78 0.00 0.00 0.00 2.35 -1.05 -1.21 115.58 116.45 1jfa h ASN 334 Ca 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.28 1jfa h ASN 334 Cb 0.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1jfa h ASN 334 CO -0.34 0.00 -1.13 1.33 -1.65 0.00 0.00 177.43 175.64 1jfa n VAL 335 N -4.43 0.07 -0.03 2.81 0.24 -0.65 -4.79 118.33 111.54 1jfa n VAL 335 Ca 0.05 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.34 62.22 1jfa n VAL 335 Cb 0.41 -0.26 -0.14 0.00 -1.47 0.00 0.00 33.84 32.39 1jfa n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfa n GLY 336 N 2.62 -1.05 3.58 7.63 0.00 0.37 -4.74 105.19 113.60 1jfa n GLY 336 Ca -0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1jfa n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfa s ALA 337 N -2.71 2.77 -0.03 4.61 0.00 -0.46 -4.94 121.76 120.99 1jfa s ALA 337 Ca -0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1jfa s ALA 337 Cb 0.08 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 19.14 1jfa s ALA 337 CO 0.83 -2.94 0.03 0.08 0.00 0.00 0.00 175.76 173.76 1jfa s VAL 338 N 6.49 -0.00 0.17 0.00 1.01 -1.26 -4.92 120.40 121.88 1jfa s VAL 338 Ca 0.60 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 1jfa s VAL 338 Cb -0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 1jfa s VAL 338 CO 0.27 0.13 1.47 -0.55 0.00 0.00 0.00 175.10 176.42 1jfa s SER 339 N 1.36 6.69 0.61 3.32 0.15 -1.26 -4.87 113.70 119.69 1jfa s SER 339 Ca -0.05 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.42 1jfa s SER 339 Cb -0.13 -2.60 1.64 0.00 -1.71 0.00 0.00 66.02 63.22 1jfa s SER 339 CO -0.03 -0.73 2.02 -0.65 1.20 0.00 0.00 173.24 175.05 1jfa h PRO 340 N 6.34 0.00 0.00 5.44 0.11 -2.00 0.23 132.00 142.12 1jfa h PRO 340 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jfa h PRO 340 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jfa h PRO 340 CO 0.86 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 1jfa n SER 341 N -3.59 0.49 0.02 -2.05 3.41 -1.26 -0.22 113.62 110.42 1jfa n SER 341 Ca 0.03 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1jfa n SER 341 Cb 0.43 -0.75 0.32 0.00 -0.26 0.00 0.00 64.21 63.95 1jfa n SER 341 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jfa n GLU 342 N -2.08 0.07 0.00 4.33 1.02 0.07 -4.69 120.64 119.36 1jfa n GLU 342 Ca 0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1jfa n GLU 342 Cb 0.14 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1jfa n GLU 342 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1jfa n TRP 343 N -1.65 0.00 -2.48 -0.32 4.27 -0.87 -4.88 117.44 111.51 1jfa n TRP 343 Ca 0.05 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 1jfa n TRP 343 Cb 0.36 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 1jfa n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfa n ALA 344 N -1.27 4.32 -3.44 -1.67 0.00 0.70 -4.43 120.51 114.73 1jfa n ALA 344 Ca 0.00 -4.05 -0.16 0.00 0.00 0.00 0.00 53.44 49.24 1jfa n ALA 344 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.06 1jfa n ALA 344 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jfa s TYR 345 N 2.64 -0.56 0.80 0.00 -0.85 -1.26 -4.65 117.35 113.47 1jfa s TYR 345 Ca 0.47 0.80 -0.11 0.00 -0.52 0.00 0.00 57.07 57.70 1jfa s TYR 345 Cb 0.05 0.40 0.09 0.00 0.38 0.00 0.00 41.96 42.88 1jfa s TYR 345 CO 0.01 -0.65 1.16 -1.25 -1.52 0.00 0.00 175.55 173.31 1jfa s PRO 346 N -1.92 1.90 0.52 -3.49 0.04 -1.26 -4.84 135.00 125.95 1jfa s PRO 346 Ca -0.08 0.01 -0.22 0.00 0.04 0.00 0.00 61.00 60.75 1jfa s PRO 346 Cb -0.01 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1jfa s PRO 346 CO 0.03 -1.60 1.31 -1.25 0.04 0.00 0.00 177.00 175.53 1jfa s PRO 347 N -5.55 3.29 0.25 0.56 0.04 -1.26 -4.86 135.00 127.47 1jfa s PRO 347 Ca 0.63 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.74 1jfa s PRO 347 Cb -0.10 -2.29 0.48 0.00 0.04 0.00 0.00 34.50 32.62 1jfa s PRO 347 CO 0.49 -1.03 1.70 0.28 0.04 0.00 0.00 177.00 178.47 1jfa h VAL 348 N 1.55 0.55 -0.91 -0.36 2.07 -1.96 0.27 116.25 117.46 1jfa h VAL 348 Ca -0.51 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.00 1jfa h VAL 348 Cb 1.29 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1jfa h VAL 348 CO 0.58 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.81 1jfa h ALA 349 N 1.60 1.61 -0.56 1.67 0.00 -1.92 0.10 119.26 121.76 1jfa h ALA 349 Ca 0.42 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1jfa h ALA 349 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jfa h ALA 349 CO -0.48 0.20 0.09 0.37 0.00 0.00 0.00 179.25 179.43 1jfa h GLN 350 N 0.91 0.94 -0.19 0.00 4.15 -1.30 0.46 115.11 120.07 1jfa h GLN 350 Ca 0.42 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.47 1jfa h GLN 350 Cb 0.40 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1jfa h GLN 350 CO -0.18 0.90 -0.40 -0.07 -1.93 0.00 0.00 178.83 177.14 1jfa h LEU 351 N 0.83 0.46 -0.40 -2.39 3.38 -0.96 -2.18 115.31 114.04 1jfa h LEU 351 Ca 0.17 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jfa h LEU 351 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jfa h LEU 351 CO 0.01 0.82 -0.06 0.00 0.09 0.00 0.00 178.44 179.30 1jfa h ALA 352 N 1.20 0.55 0.27 1.53 0.00 -0.42 -3.26 119.26 119.15 1jfa h ALA 352 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jfa h ALA 352 Cb 0.87 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jfa h ALA 352 CO 0.07 0.39 -0.13 -0.97 0.00 0.00 0.00 179.25 178.61 1jfa h ASN 353 N 0.57 -0.31 0.00 0.00 -0.00 -0.86 -3.48 115.58 111.50 1jfa h ASN 353 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 56.30 56.23 1jfa h ASN 353 Cb 0.57 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 1jfa h ASN 353 CO 0.03 0.02 0.00 0.52 -0.00 0.00 0.00 177.43 178.00