#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdi h ILE 4 N 0.00 1.13 -0.32 1.09 2.10 -2.00 0.26 117.51 119.78 1bdi h ILE 4 Ca 0.00 -0.36 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 1bdi h ILE 4 Cb 0.00 0.66 -0.02 0.00 -1.09 0.00 0.00 36.82 36.38 1bdi h ILE 4 CO 0.00 0.15 0.16 0.50 -1.08 0.00 0.00 178.15 177.88 1bdi h LYS 5 N 0.51 0.43 -0.13 2.19 3.64 -1.99 -0.66 116.57 120.56 1bdi h LYS 5 Ca 0.13 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1bdi h LYS 5 Cb 0.06 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1bdi h LYS 5 CO -0.02 0.33 -0.77 -0.44 -2.27 0.00 0.00 179.45 176.28 1bdi h ASP 6 N 0.44 0.81 -0.03 4.20 3.32 -0.99 -2.72 116.42 121.45 1bdi h ASP 6 Ca 0.11 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1bdi h ASP 6 Cb 0.03 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1bdi h ASP 6 CO -0.02 1.32 0.01 0.58 -1.72 0.00 0.00 179.24 179.41 1bdi h VAL 7 N 0.46 1.17 -0.40 -1.35 2.07 0.04 -2.39 116.25 115.86 1bdi h VAL 7 Ca -0.05 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.08 1bdi h VAL 7 Cb 1.39 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1bdi h VAL 7 CO 0.15 0.14 0.32 0.00 0.02 0.00 0.00 177.57 178.20 1bdi h ALA 8 N 0.81 2.27 0.10 1.67 0.00 -1.20 -2.10 119.26 120.80 1bdi h ALA 8 Ca 0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1bdi h ALA 8 Cb 0.21 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.06 1bdi h ALA 8 CO -0.00 -0.52 -1.04 1.57 0.00 0.00 0.00 179.25 179.26 1bdi h LYS 9 N 0.00 0.52 -0.40 0.00 2.10 -1.11 0.52 116.57 118.21 1bdi h LYS 9 Ca 0.19 -0.70 -0.02 0.00 -2.00 0.00 0.00 60.65 58.12 1bdi h LYS 9 Cb 0.82 0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1bdi h LYS 9 CO -0.00 1.30 0.17 -0.09 -2.00 0.00 0.00 179.45 178.83 1bdi h ARG 10 N 0.07 0.56 0.00 0.07 9.65 -1.15 -1.76 114.38 121.82 1bdi h ARG 10 Ca -0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1bdi h ARG 10 Cb 1.75 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.22 1bdi h ARG 10 CO 0.20 0.45 -0.09 0.00 2.80 0.00 0.00 179.97 183.34 1bdi h ALA 11 N 1.63 0.96 -4.44 2.80 0.00 -1.34 -3.48 119.26 115.39 1bdi h ALA 11 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 1bdi h ALA 11 Cb 0.10 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.98 1bdi h ALA 11 CO -0.02 0.00 -0.51 0.09 0.00 0.00 0.00 179.25 178.81 1bdi n ASN 12 N -3.04 -5.32 -4.24 0.00 4.13 0.15 -4.95 115.26 101.99 1bdi n ASN 12 Ca 0.04 -0.37 -0.13 0.00 1.68 0.00 0.00 54.58 55.80 1bdi n ASN 12 Cb 0.53 -3.98 -0.10 0.00 -1.54 0.00 0.00 39.78 34.69 1bdi n ASN 12 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1bdi s VAL 13 N -3.19 0.32 0.83 2.41 -7.23 0.69 -5.02 120.40 109.19 1bdi s VAL 13 Ca 0.40 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 1bdi s VAL 13 Cb -0.18 -2.40 0.09 0.00 0.56 0.00 0.00 36.38 34.46 1bdi s VAL 13 CO 0.49 -0.16 1.11 -0.94 -0.31 0.00 0.00 175.10 175.29 1bdi s SER 14 N -3.19 3.90 0.32 4.85 1.04 -1.26 -4.33 113.70 115.02 1bdi s SER 14 Ca 0.33 1.90 0.14 0.00 0.48 0.00 0.00 55.95 58.81 1bdi s SER 14 Cb 0.07 -2.51 0.48 0.00 0.10 0.00 0.00 66.02 64.16 1bdi s SER 14 CO 0.09 -2.43 1.65 0.71 0.98 0.00 0.00 173.24 174.25 1bdi h THR 15 N -1.40 1.18 -0.67 2.02 1.35 -1.90 -1.69 112.91 111.80 1bdi h THR 15 Ca -0.44 -1.88 0.10 0.00 -0.55 0.00 0.00 66.41 63.63 1bdi h THR 15 Cb 1.25 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 69.67 1bdi h THR 15 CO 0.49 0.50 0.30 0.74 -0.25 0.00 0.00 175.52 177.30 1bdi h THR 16 N 0.00 0.81 0.44 6.82 2.02 -1.97 0.56 112.91 121.59 1bdi h THR 16 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1bdi h THR 16 Cb 1.03 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1bdi h THR 16 CO 0.07 0.09 -0.21 0.74 0.37 0.00 0.00 175.52 176.58 1bdi h THR 17 N 0.52 0.00 -0.80 3.16 2.02 -1.68 -1.76 112.91 114.37 1bdi h THR 17 Ca 0.33 -0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.71 1bdi h THR 17 Cb 0.38 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.64 1bdi h THR 17 CO -0.29 0.00 -0.09 0.52 0.37 0.00 0.00 175.52 176.04 1bdi n VAL 18 N -3.58 -0.34 0.02 3.16 0.31 -0.70 0.29 118.33 117.50 1bdi n VAL 18 Ca -0.07 1.80 -0.01 0.00 -0.01 0.00 0.00 64.34 66.05 1bdi n VAL 18 Cb 0.23 -2.56 -0.01 0.00 -0.91 0.00 0.00 33.84 30.59 1bdi n VAL 18 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bdi h SER 19 N 0.00 -0.08 -0.62 4.52 0.87 0.35 -2.37 113.55 116.23 1bdi h SER 19 Ca 0.44 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.14 1bdi h SER 19 Cb 0.81 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.67 1bdi h SER 19 CO -0.79 -0.04 -0.11 1.41 -0.53 0.00 0.00 176.83 176.76 1bdi n HIS 20 N -2.34 0.26 -0.12 2.24 -0.00 0.15 0.20 115.22 115.61 1bdi n HIS 20 Ca -0.01 0.75 -0.11 0.00 -0.00 0.00 0.00 57.72 58.35 1bdi n HIS 20 Cb 0.03 -0.88 -0.02 0.00 -0.00 0.00 0.00 29.99 29.11 1bdi n HIS 20 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1bdi h VAL 21 N 0.00 1.27 -0.10 1.59 3.04 -1.34 0.52 116.25 121.23 1bdi h VAL 21 Ca 0.32 -1.06 0.03 0.00 -1.01 0.00 0.00 66.70 64.98 1bdi h VAL 21 Cb 0.53 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1bdi h VAL 21 CO -0.62 0.35 0.09 0.40 -1.01 0.00 0.00 177.57 176.78 1bdi h ILE 22 N 0.46 0.66 0.00 3.17 2.04 0.30 -2.82 117.51 121.33 1bdi h ILE 22 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1bdi h ILE 22 Cb 0.52 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bdi h ILE 22 CO 0.03 0.00 -0.13 0.59 0.00 0.00 0.00 178.15 178.64 1bdi n ASN 23 N -4.08 1.73 -3.90 1.72 5.03 -0.83 -4.99 115.26 109.94 1bdi n ASN 23 Ca -0.01 -2.80 -0.29 0.00 0.87 0.00 0.00 54.58 52.36 1bdi n ASN 23 Cb 0.20 -0.37 -0.02 0.00 -1.02 0.00 0.00 39.78 38.58 1bdi n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1bdi n LYS 24 N -1.06 -0.64 -0.06 3.52 5.02 0.18 -4.80 118.16 120.32 1bdi n LYS 24 Ca 0.12 -0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1bdi n LYS 24 Cb 0.65 -1.78 0.12 0.00 -0.02 0.00 0.00 35.03 34.00 1bdi n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1bdi n THR 25 N -3.69 0.19 -3.55 -0.18 5.66 -0.75 -4.97 114.28 106.99 1bdi n THR 25 Ca -0.13 -0.59 -0.06 0.00 -3.05 0.00 0.00 64.05 60.21 1bdi n THR 25 Cb 0.42 1.24 -0.02 0.00 -1.55 0.00 0.00 70.33 70.42 1bdi n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bdi s ARG 26 N -1.54 0.53 0.34 1.09 1.70 -1.26 -5.09 118.95 114.73 1bdi s ARG 26 Ca 0.27 -0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.06 1bdi s ARG 26 Cb 0.18 0.25 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1bdi s ARG 26 CO 0.26 -0.23 1.27 0.12 -1.08 0.00 0.00 175.30 175.63 1bdi s PHE 27 N -2.68 3.09 -0.01 5.89 2.19 -1.26 -4.78 117.98 120.42 1bdi s PHE 27 Ca 0.07 1.47 -0.00 0.00 0.33 0.00 0.00 56.93 58.80 1bdi s PHE 27 Cb -0.01 -3.60 0.01 0.00 -1.31 0.00 0.00 43.02 38.11 1bdi s PHE 27 CO -0.06 -1.67 0.02 0.08 1.83 0.00 0.00 175.22 175.42 1bdi s VAL 28 N -1.19 -0.03 0.22 3.12 1.01 -1.26 -5.06 120.40 117.22 1bdi s VAL 28 Ca 0.50 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1bdi s VAL 28 Cb -0.38 -0.05 -0.14 0.00 0.00 0.00 0.00 36.38 35.81 1bdi s VAL 28 CO 0.49 0.04 1.24 0.00 0.00 0.00 0.00 175.10 176.87 1bdi n ALA 29 N 3.58 0.12 -0.10 5.51 0.00 -1.26 -4.64 120.51 123.72 1bdi n ALA 29 Ca -0.19 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 1bdi n ALA 29 Cb 0.55 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 1bdi n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bdi h GLU 30 N 3.42 -0.36 -0.99 0.00 4.81 -1.99 0.56 114.58 120.04 1bdi h GLU 30 Ca -0.43 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1bdi h GLU 30 Cb 1.31 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.65 1bdi h GLU 30 CO 0.70 -0.24 -0.55 0.39 -0.73 0.00 0.00 179.01 178.58 1bdi n GLU 31 N -5.42 -0.41 0.28 1.92 -0.58 -1.26 0.04 120.64 115.22 1bdi n GLU 31 Ca -0.02 1.49 -0.16 0.00 -0.42 0.00 0.00 57.16 58.05 1bdi n GLU 31 Cb 0.35 -2.20 -0.08 0.00 -0.57 0.00 0.00 31.44 28.95 1bdi n GLU 31 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1bdi h THR 32 N 0.00 0.38 -0.86 2.62 2.02 -1.65 -2.47 112.91 112.96 1bdi h THR 32 Ca 0.18 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.51 1bdi h THR 32 Cb 0.43 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 67.07 1bdi h THR 32 CO -0.93 0.00 -0.32 -0.09 0.37 0.00 0.00 175.52 174.55 1bdi h ARG 33 N -0.75 -0.04 0.45 6.66 2.43 0.22 -0.81 114.38 122.54 1bdi h ARG 33 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1bdi h ARG 33 Cb 0.61 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1bdi h ARG 33 CO 0.06 -0.03 -0.27 -0.91 -1.51 0.00 0.00 179.97 177.31 1bdi h ASN 34 N -0.04 -0.66 -0.97 -3.80 -0.26 -0.25 -2.57 115.58 107.03 1bdi h ASN 34 Ca 0.35 0.04 0.34 0.00 -0.56 0.00 0.00 56.30 56.46 1bdi h ASN 34 Cb 0.60 0.19 -0.18 0.00 -1.06 0.00 0.00 38.32 37.88 1bdi h ASN 34 CO -0.88 -0.43 0.28 0.00 -1.06 0.00 0.00 177.43 175.34 1bdi n ALA 35 N -2.45 0.75 0.12 -0.83 0.00 -0.39 -0.03 120.51 117.67 1bdi n ALA 35 Ca -0.11 1.02 -0.14 0.00 0.00 0.00 0.00 53.44 54.21 1bdi n ALA 35 Cb 0.30 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1bdi n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bdi h VAL 36 N 0.00 0.88 -0.53 0.00 2.07 -0.96 -2.06 116.25 115.65 1bdi h VAL 36 Ca 0.71 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 68.00 1bdi h VAL 36 Cb 1.71 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1bdi h VAL 36 CO -0.83 0.07 0.16 -0.50 0.02 0.00 0.00 177.57 176.50 1bdi h TRP 37 N -0.41 0.28 -0.72 1.57 4.06 -0.15 0.30 115.95 120.88 1bdi h TRP 37 Ca -0.03 0.03 0.13 0.00 2.06 0.00 0.00 58.89 61.09 1bdi h TRP 37 Cb 0.31 -0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 28.30 1bdi h TRP 37 CO -0.02 0.06 -0.27 0.00 -3.56 0.00 0.00 178.44 174.65 1bdi h ALA 38 N 1.38 0.24 0.81 1.49 0.00 -0.80 0.56 119.26 122.92 1bdi h ALA 38 Ca 0.26 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1bdi h ALA 38 Cb 0.32 0.71 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1bdi h ALA 38 CO -0.29 -0.55 -0.39 0.00 0.00 0.00 0.00 179.25 178.02 1bdi h ALA 39 N 1.40 -1.08 -0.99 0.00 0.00 -0.23 -1.91 119.26 116.45 1bdi h ALA 39 Ca 0.31 -0.24 0.36 0.00 0.00 0.00 0.00 54.91 55.33 1bdi h ALA 39 Cb 0.56 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 1bdi h ALA 39 CO -0.76 -1.06 0.39 0.82 0.00 0.00 0.00 179.25 178.64 1bdi h ILE 40 N -1.19 0.06 0.09 0.00 2.04 0.16 0.26 117.51 118.93 1bdi h ILE 40 Ca -0.11 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1bdi h ILE 40 Cb 0.84 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1bdi h ILE 40 CO 0.18 0.01 -0.04 0.11 0.00 0.00 0.00 178.15 178.41 1bdi h LYS 41 N 0.05 -0.11 0.04 2.37 1.79 0.21 0.35 116.57 121.27 1bdi h LYS 41 Ca 0.75 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1bdi h LYS 41 Cb 1.85 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1bdi h LYS 41 CO -0.78 0.36 -0.02 1.05 -1.08 0.00 0.00 179.45 178.98 1bdi h GLU 42 N -0.93 -0.05 0.00 3.15 4.11 -0.68 0.82 114.58 121.00 1bdi h GLU 42 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1bdi h GLU 42 Cb 0.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1bdi h GLU 42 CO 0.02 0.02 0.19 -0.07 0.07 0.00 0.00 179.01 179.24 1bdi h LEU 43 N -0.11 0.00 -2.65 3.06 3.38 -0.64 -3.45 115.31 114.90 1bdi h LEU 43 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1bdi h LEU 43 Cb 0.10 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.93 1bdi h LEU 43 CO 0.01 0.00 -0.54 1.41 0.09 0.00 0.00 178.44 179.40 1bdi n HIS 44 N -2.33 -2.55 -3.47 1.13 8.25 0.28 -4.95 115.22 111.57 1bdi n HIS 44 Ca -0.01 0.90 -0.37 0.00 -0.26 0.00 0.00 57.72 57.98 1bdi n HIS 44 Cb 0.23 -3.91 -0.07 0.00 1.12 0.00 0.00 29.99 27.37 1bdi n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1bdi s TYR 45 N -3.21 3.52 -0.26 4.41 5.04 0.12 -5.02 117.35 121.94 1bdi s TYR 45 Ca 0.24 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1bdi s TYR 45 Cb -0.05 -2.38 0.07 0.00 0.35 0.00 0.00 41.96 39.95 1bdi s TYR 45 CO 0.78 0.29 -0.03 0.45 -1.34 0.00 0.00 175.55 175.70 1bdi s SER 46 N 0.24 4.08 0.01 4.32 0.15 -1.26 -4.93 113.70 116.31 1bdi s SER 46 Ca 0.20 -1.39 -0.35 0.00 0.70 0.00 0.00 55.95 55.11 1bdi s SER 46 Cb -0.14 -1.26 -0.13 0.00 -1.71 0.00 0.00 66.02 62.78 1bdi s SER 46 CO 0.07 -0.27 1.71 -2.65 1.20 0.00 0.00 173.24 173.30 1bdi n PRO 47 N 4.60 2.02 -2.10 5.44 -0.02 -1.26 -4.87 135.00 138.80 1bdi n PRO 47 Ca -0.09 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1bdi n PRO 47 Cb 0.43 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1bdi n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bdi s SER 48 N 2.48 6.49 0.38 2.55 0.15 -1.26 -4.88 113.70 119.61 1bdi s SER 48 Ca 0.87 1.80 0.19 0.00 0.70 0.00 0.00 55.95 59.51 1bdi s SER 48 Cb -0.73 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 61.69 1bdi s SER 48 CO 0.47 -1.13 1.71 0.00 1.20 0.00 0.00 173.24 175.48 1bdi h ALA 49 N 10.24 0.95 0.04 5.45 0.00 -1.98 -1.95 119.26 132.02 1bdi h ALA 49 Ca -0.35 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 53.99 1bdi h ALA 49 Cb 1.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bdi h ALA 49 CO 0.99 0.44 -1.06 -0.24 0.00 0.00 0.00 179.25 179.38 1bdi h VAL 50 N 0.00 1.38 0.47 0.00 3.04 -1.98 0.47 116.25 119.63 1bdi h VAL 50 Ca -0.00 -2.53 -0.02 0.00 -1.01 0.00 0.00 66.70 63.14 1bdi h VAL 50 Cb 0.93 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 32.76 1bdi h VAL 50 CO 0.05 0.76 -0.28 0.00 -1.01 0.00 0.00 177.57 177.08 1bdi h ALA 51 N 0.59 -0.71 -0.95 3.17 0.00 -1.95 0.10 119.26 119.51 1bdi h ALA 51 Ca -0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1bdi h ALA 51 Cb 1.72 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 1bdi h ALA 51 CO 0.19 -0.91 0.62 -0.09 0.00 0.00 0.00 179.25 179.05 1bdi h ARG 52 N -0.71 1.08 -0.74 0.00 2.43 -1.31 -1.06 114.38 114.08 1bdi h ARG 52 Ca -0.05 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1bdi h ARG 52 Cb 0.58 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1bdi h ARG 52 CO 0.06 0.72 0.33 0.77 -1.51 0.00 0.00 179.97 180.34 1bdi h SER 53 N 1.11 0.97 -0.85 -3.80 0.02 0.68 -1.73 113.55 109.96 1bdi h SER 53 Ca 0.40 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1bdi h SER 53 Cb 0.15 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.38 1bdi h SER 53 CO -0.15 0.83 0.51 0.25 -1.14 0.00 0.00 176.83 177.13 1bdi h LEU 54 N 1.05 0.77 0.01 5.07 5.85 0.51 0.26 115.31 128.82 1bdi h LEU 54 Ca 0.25 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1bdi h LEU 54 Cb 0.14 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1bdi h LEU 54 CO -0.03 0.47 -0.00 0.50 -0.34 0.00 0.00 178.44 179.03 1bdi h LYS 55 N 0.89 -0.01 0.00 1.25 3.11 -1.02 -3.37 116.57 117.43 1bdi h LYS 55 Ca 0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.23 1bdi h LYS 55 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1bdi h LYS 55 CO -0.21 -0.00 0.11 1.33 -2.81 0.00 0.00 179.45 177.86 1bdi n VAL 56 N -2.07 0.94 -3.22 2.00 0.24 -0.71 -4.91 118.33 110.60 1bdi n VAL 56 Ca -0.00 0.72 -0.15 0.00 -2.04 0.00 0.00 64.34 62.87 1bdi n VAL 56 Cb 0.00 -1.72 0.07 0.00 -1.47 0.00 0.00 33.84 30.72 1bdi n VAL 56 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1bdi n ASN 57 N -2.12 -6.24 0.00 -1.34 5.15 0.08 -5.02 115.26 105.76 1bdi n ASN 57 Ca -0.01 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 1bdi n ASN 57 Cb 0.14 -5.09 0.00 0.00 -0.53 0.00 0.00 39.78 34.29 1bdi n ASN 57 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bdi n HIS 58 N -3.24 0.00 0.28 1.20 1.44 -1.22 -5.05 115.22 108.63 1bdi n HIS 58 Ca -0.08 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.74 1bdi n HIS 58 Cb 0.62 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.79 1bdi n HIS 58 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1bdi h THR 59 N 0.00 0.00 -5.82 0.61 1.35 -1.88 -3.42 112.91 103.76 1bdi h THR 59 Ca 0.00 -0.81 -0.37 0.00 -0.55 0.00 0.00 66.41 64.67 1bdi h THR 59 Cb 0.00 1.33 0.13 0.00 -1.73 0.00 0.00 68.15 67.89 1bdi h THR 59 CO 0.00 0.00 -0.75 1.17 -0.25 0.00 0.00 175.52 175.69 1bdi n LYS 60 N -2.47 -6.82 -3.74 4.72 3.00 -1.26 -4.93 118.16 106.66 1bdi n LYS 60 Ca 0.01 0.80 -0.14 0.00 -0.00 0.00 0.00 58.31 58.98 1bdi n LYS 60 Cb 0.51 -5.77 -0.09 0.00 0.00 0.00 0.00 35.03 29.68 1bdi n LYS 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1bdi s SER 61 N -3.94 -0.29 0.11 3.14 0.15 -1.26 -1.66 113.70 109.95 1bdi s SER 61 Ca 0.25 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1bdi s SER 61 Cb -0.11 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 1bdi s SER 61 CO 0.75 -0.37 -0.11 0.27 1.20 0.00 0.00 173.24 174.97 1bdi s ILE 62 N -0.87 1.08 -0.10 6.45 -5.25 0.50 -0.72 121.20 122.29 1bdi s ILE 62 Ca -0.09 -1.69 0.02 0.00 -0.99 0.00 0.00 60.65 57.89 1bdi s ILE 62 Cb -0.04 -1.45 -0.01 0.00 2.95 0.00 0.00 42.46 43.91 1bdi s ILE 62 CO 0.04 -0.53 -0.17 -0.83 -1.79 0.00 0.00 174.94 171.66 1bdi s GLY 63 N -2.50 1.47 -0.52 6.27 0.00 -1.20 0.04 107.32 110.89 1bdi s GLY 63 Ca 0.07 -0.94 -0.16 0.00 0.00 0.00 0.00 44.72 43.69 1bdi s GLY 63 CO 0.01 -0.38 0.48 -2.27 0.00 0.00 0.00 173.10 170.94 1bdi s LEU 64 N 0.08 5.86 -1.01 0.66 2.96 0.16 -0.49 118.68 126.90 1bdi s LEU 64 Ca -0.07 -1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 52.13 1bdi s LEU 64 Cb -0.15 -2.22 0.16 0.00 0.50 0.00 0.00 46.19 44.49 1bdi s LEU 64 CO 0.05 -0.80 1.16 -0.22 -1.32 0.00 0.00 176.35 175.23 1bdi s LEU 65 N 1.74 5.37 0.00 -0.68 2.96 0.04 0.19 118.68 128.30 1bdi s LEU 65 Ca 0.05 -2.50 0.09 0.00 -0.22 0.00 0.00 54.13 51.55 1bdi s LEU 65 Cb -0.27 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.16 1bdi s LEU 65 CO 0.05 -0.86 0.79 0.00 -1.32 0.00 0.00 176.35 175.01 1bdi n ALA 66 N 5.70 1.18 -0.12 5.97 0.00 0.17 -1.39 120.51 132.02 1bdi n ALA 66 Ca 0.26 -2.05 -0.25 0.00 0.00 0.00 0.00 53.44 51.40 1bdi n ALA 66 Cb 0.46 0.55 -0.11 0.00 0.00 0.00 0.00 19.45 20.36 1bdi n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bdi n THR 67 N -2.26 1.55 -3.54 0.00 -1.04 -0.92 -1.07 114.28 106.99 1bdi n THR 67 Ca 0.16 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 1bdi n THR 67 Cb 0.59 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 1bdi n THR 67 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bdi s SER 68 N -7.15 -0.46 -0.00 8.00 1.04 -1.26 -1.83 113.70 112.04 1bdi s SER 68 Ca -0.34 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.59 1bdi s SER 68 Cb 0.10 0.39 -0.10 0.00 0.10 0.00 0.00 66.02 66.52 1bdi s SER 68 CO 0.56 -0.48 0.28 -1.54 0.98 0.00 0.00 173.24 173.03 1bdi n SER 69 N 0.59 1.31 -0.13 7.02 3.41 -1.26 -4.63 113.62 119.93 1bdi n SER 69 Ca -0.13 -0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 57.91 1bdi n SER 69 Cb 0.58 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.64 1bdi n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1bdi h GLU 70 N 0.00 0.85 -6.09 4.33 4.22 -1.98 -3.25 114.58 112.66 1bdi h GLU 70 Ca 0.00 -0.38 -0.79 0.00 0.08 0.00 0.00 59.36 58.27 1bdi h GLU 70 Cb 0.24 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1bdi h GLU 70 CO 0.00 1.02 0.67 0.00 -2.18 0.00 0.00 179.01 178.52 1bdi n ALA 71 N -2.49 -1.14 -0.32 2.92 0.00 -1.26 -4.63 120.51 113.59 1bdi n ALA 71 Ca -0.01 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 1bdi n ALA 71 Cb 0.44 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 1bdi n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bdi n ALA 72 N 4.06 -0.48 0.01 0.00 0.00 -1.26 0.64 120.51 123.47 1bdi n ALA 72 Ca 0.26 0.64 -0.08 0.00 0.00 0.00 0.00 53.44 54.26 1bdi n ALA 72 Cb 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1bdi n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1bdi h TYR 73 N 0.00 -0.87 -0.48 0.00 3.20 -1.95 -1.55 116.97 115.31 1bdi h TYR 73 Ca 0.12 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1bdi h TYR 73 Cb 0.31 0.39 -0.10 0.00 1.54 0.00 0.00 36.73 38.86 1bdi h TYR 73 CO -0.82 -0.31 -0.38 0.74 -1.64 0.00 0.00 178.16 175.76 1bdi h PHE 74 N -0.34 -1.08 -0.78 -3.82 0.04 -1.59 -1.16 116.94 108.21 1bdi h PHE 74 Ca 0.01 0.07 0.18 0.00 2.80 0.00 0.00 57.97 61.03 1bdi h PHE 74 Cb 0.38 0.55 -0.14 0.00 2.20 0.00 0.00 35.95 38.94 1bdi h PHE 74 CO -0.48 -0.41 0.02 0.00 -0.60 0.00 0.00 178.31 176.83 1bdi h ALA 75 N 0.69 0.83 -0.22 2.45 0.00 0.68 0.72 119.26 124.42 1bdi h ALA 75 Ca 0.18 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1bdi h ALA 75 Cb 0.56 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1bdi h ALA 75 CO -0.61 -0.43 -0.03 0.93 0.00 0.00 0.00 179.25 179.10 1bdi h GLU 76 N 0.10 0.40 -0.83 0.00 5.08 -0.22 -1.99 114.58 117.13 1bdi h GLU 76 Ca 0.43 -0.15 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 1bdi h GLU 76 Cb 0.77 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1bdi h GLU 76 CO -0.68 0.63 0.44 0.82 -1.00 0.00 0.00 179.01 179.22 1bdi h ILE 77 N 0.14 0.80 0.49 3.13 2.04 -0.72 -2.53 117.51 120.86 1bdi h ILE 77 Ca 0.06 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1bdi h ILE 77 Cb 0.47 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1bdi h ILE 77 CO 0.02 0.12 -0.23 0.40 0.00 0.00 0.00 178.15 178.46 1bdi h ILE 78 N 0.68 0.50 -0.94 -0.67 2.04 -0.53 -2.14 117.51 116.45 1bdi h ILE 78 Ca 0.43 -0.20 0.27 0.00 1.00 0.00 0.00 64.86 66.36 1bdi h ILE 78 Cb 0.53 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1bdi h ILE 78 CO -0.32 0.03 0.83 -0.08 0.00 0.00 0.00 178.15 178.62 1bdi h GLU 79 N -0.78 0.00 0.40 2.37 4.81 -1.01 0.27 114.58 120.65 1bdi h GLU 79 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1bdi h GLU 79 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1bdi h GLU 79 CO 0.11 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.20 1bdi h ALA 80 N 1.22 -0.57 -0.82 2.92 0.00 -1.00 -2.22 119.26 118.80 1bdi h ALA 80 Ca 0.44 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.43 1bdi h ALA 80 Cb 2.10 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.96 1bdi h ALA 80 CO -0.00 -0.53 0.17 0.28 0.00 0.00 0.00 179.25 179.17 1bdi h VAL 81 N -1.09 0.38 -0.51 0.00 2.07 -0.32 0.45 116.25 117.23 1bdi h VAL 81 Ca -0.06 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1bdi h VAL 81 Cb 0.42 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1bdi h VAL 81 CO 0.09 0.04 0.26 1.05 0.02 0.00 0.00 177.57 179.02 1bdi h GLU 82 N 0.21 0.49 -0.69 1.57 -0.00 -0.58 -0.50 114.58 115.07 1bdi h GLU 82 Ca 0.48 -0.03 0.11 0.00 -0.00 0.00 0.00 59.36 59.93 1bdi h GLU 82 Cb 0.91 -0.11 -0.08 0.00 -0.00 0.00 0.00 28.75 29.47 1bdi h GLU 82 CO -0.62 0.32 0.28 0.87 -0.00 0.00 0.00 179.01 179.86 1bdi h LYS 83 N 0.50 0.45 -0.17 1.06 1.57 0.52 -1.34 116.57 119.17 1bdi h LYS 83 Ca 0.22 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1bdi h LYS 83 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1bdi h LYS 83 CO -0.16 0.30 -0.42 -0.91 -0.57 0.00 0.00 179.45 177.69 1bdi h ASN 84 N 0.46 0.42 0.34 0.86 2.35 -0.73 -2.06 115.58 117.22 1bdi h ASN 84 Ca 0.36 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1bdi h ASN 84 Cb 0.49 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1bdi h ASN 84 CO -0.34 0.79 -0.16 0.00 -1.65 0.00 0.00 177.43 176.07 1bdi h PHE 86 N -0.59 -1.48 0.00 0.00 3.57 -1.15 0.81 116.94 118.11 1bdi h PHE 86 Ca -0.05 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1bdi h PHE 86 Cb 0.43 0.66 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1bdi h PHE 86 CO -0.02 -0.53 0.00 0.00 -2.23 0.00 0.00 178.31 175.53 1bdi n GLN 87 N -5.44 0.13 -1.24 1.11 -0.00 -0.79 -1.24 117.38 109.91 1bdi n GLN 87 Ca -0.05 0.51 -0.14 0.00 -0.00 0.00 0.00 57.00 57.32 1bdi n GLN 87 Cb 0.38 -1.84 0.13 0.00 -0.00 0.00 0.00 30.24 28.91 1bdi n GLN 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1bdi n LYS 88 N -2.11 2.48 0.00 2.61 5.02 -0.54 -4.96 118.16 120.65 1bdi n LYS 88 Ca 0.00 -3.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1bdi n LYS 88 Cb 0.11 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1bdi n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bdi n GLY 89 N -0.97 0.43 3.75 0.72 0.00 -0.37 -4.96 105.19 103.79 1bdi n GLY 89 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1bdi n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bdi s TYR 90 N -0.65 2.42 -0.04 1.61 1.51 0.17 -4.89 117.35 117.48 1bdi s TYR 90 Ca 0.00 1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 57.50 1bdi s TYR 90 Cb 0.00 -3.59 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 1bdi s TYR 90 CO 0.00 -2.37 0.12 -0.08 -1.11 0.00 0.00 175.55 172.11 1bdi s THR 91 N -1.46 5.14 -0.19 -0.71 -1.32 -0.67 -3.75 115.64 112.68 1bdi s THR 91 Ca 0.73 -0.15 -0.07 0.00 -1.21 0.00 0.00 61.69 60.99 1bdi s THR 91 Cb -0.34 -3.32 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 1bdi s THR 91 CO 0.39 0.43 0.06 -0.22 -2.21 0.00 0.00 174.62 173.07 1bdi s LEU 92 N -1.55 3.72 -0.36 9.08 1.98 -1.26 -0.37 118.68 129.92 1bdi s LEU 92 Ca 0.22 0.02 -0.06 0.00 -2.89 0.00 0.00 54.13 51.42 1bdi s LEU 92 Cb -0.12 -1.95 0.06 0.00 0.66 0.00 0.00 46.19 44.84 1bdi s LEU 92 CO 0.12 0.14 0.14 -0.63 -1.89 0.00 0.00 176.35 174.23 1bdi s ILE 93 N 0.58 3.69 0.06 6.68 1.01 0.11 -4.98 121.20 128.33 1bdi s ILE 93 Ca 0.03 -1.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1bdi s ILE 93 Cb -0.13 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1bdi s ILE 93 CO 0.01 -0.32 0.70 -0.22 0.00 0.00 0.00 174.94 175.11 1bdi s LEU 94 N 1.35 4.48 -0.13 2.97 2.96 -1.26 0.35 118.68 129.39 1bdi s LEU 94 Ca 0.00 1.38 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1bdi s LEU 94 Cb -0.21 -3.12 0.06 0.00 0.50 0.00 0.00 46.19 43.42 1bdi s LEU 94 CO 0.01 0.11 0.30 -0.83 -1.32 0.00 0.00 176.35 174.62 1bdi s GLY 95 N -0.43 -0.20 -0.23 7.98 0.00 0.13 -4.92 107.32 109.65 1bdi s GLY 95 Ca 0.35 1.15 -0.06 0.00 0.00 0.00 0.00 44.72 46.16 1bdi s GLY 95 CO 0.21 1.56 0.01 -1.31 0.00 0.00 0.00 173.10 173.58 1bdi s ASN 96 N 1.59 4.71 0.00 1.64 0.02 -1.26 0.42 114.94 122.05 1bdi s ASN 96 Ca -0.07 -0.30 0.24 0.00 -1.02 0.00 0.00 52.86 51.71 1bdi s ASN 96 Cb -0.10 -1.83 0.36 0.00 0.02 0.00 0.00 41.25 39.70 1bdi s ASN 96 CO -0.10 -0.02 1.31 0.00 0.02 0.00 0.00 177.10 178.31 1bdi n ALA 97 N 4.84 3.69 -3.42 0.60 0.00 -0.24 -4.96 120.51 121.02 1bdi n ALA 97 Ca -0.17 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 1bdi n ALA 97 Cb 0.51 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1bdi n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1bdi n TRP 98 N -1.13 -1.93 -2.92 0.00 7.02 -0.76 0.55 117.44 118.27 1bdi n TRP 98 Ca 0.07 0.58 -0.22 0.00 -1.02 0.00 0.00 57.50 56.91 1bdi n TRP 98 Cb 0.35 -3.49 0.02 0.00 -2.42 0.00 0.00 31.31 25.78 1bdi n TRP 98 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1bdi n ASN 99 N -2.46 -5.71 -4.17 -0.99 5.03 -1.26 -4.95 115.26 100.76 1bdi n ASN 99 Ca -0.02 -0.22 -0.35 0.00 0.87 0.00 0.00 54.58 54.86 1bdi n ASN 99 Cb 0.55 -4.65 -0.14 0.00 -1.02 0.00 0.00 39.78 34.52 1bdi n ASN 99 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1bdi s ASN 100 N -2.55 4.89 0.22 6.41 2.47 0.19 -5.01 114.94 121.56 1bdi s ASN 100 Ca 0.24 -1.31 -0.17 0.00 0.42 0.00 0.00 52.86 52.05 1bdi s ASN 100 Cb -0.11 -1.71 0.22 0.00 -1.45 0.00 0.00 41.25 38.20 1bdi s ASN 100 CO 0.30 -0.27 1.58 0.25 -3.72 0.00 0.00 177.10 175.24 1bdi h LEU 101 N 7.99 -1.13 -0.34 3.21 5.85 -1.92 0.55 115.31 129.52 1bdi h LEU 101 Ca -0.21 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1bdi h LEU 101 Cb 1.06 0.61 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1bdi h LEU 101 CO 0.54 -0.29 0.16 -0.33 -0.34 0.00 0.00 178.44 178.18 1bdi h GLU 102 N -0.07 0.33 -0.54 1.25 4.39 -1.95 0.62 114.58 118.62 1bdi h GLU 102 Ca 0.31 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.04 1bdi h GLU 102 Cb 0.58 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1bdi h GLU 102 CO -0.82 0.22 0.36 -0.22 -1.16 0.00 0.00 179.01 177.38 1bdi h LYS 103 N 0.34 0.54 0.01 2.33 1.63 -1.24 0.20 116.57 120.37 1bdi h LYS 103 Ca 0.14 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 1bdi h LYS 103 Cb 0.07 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1bdi h LYS 103 CO -0.11 0.36 -0.16 -0.56 -3.45 0.00 0.00 179.45 175.53 1bdi h GLN 104 N 0.56 0.09 -0.82 1.90 3.07 0.23 -2.78 115.11 117.37 1bdi h GLN 104 Ca 0.22 -0.11 0.21 0.00 0.09 0.00 0.00 58.65 59.06 1bdi h GLN 104 Cb 0.19 0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.73 1bdi h GLN 104 CO -0.06 0.92 0.56 0.07 0.09 0.00 0.00 178.83 180.41 1bdi h ARG 105 N -0.69 0.19 0.38 0.06 0.11 0.58 0.04 114.38 115.05 1bdi h ARG 105 Ca -0.02 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 1bdi h ARG 105 Cb 0.98 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1bdi h ARG 105 CO 0.03 0.13 -0.18 0.00 0.10 0.00 0.00 179.97 180.05 1bdi h ALA 106 N 1.62 -0.76 -0.61 0.08 0.00 -0.92 -1.92 119.26 116.75 1bdi h ALA 106 Ca 0.41 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1bdi h ALA 106 Cb 1.29 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1bdi h ALA 106 CO -0.08 -0.72 0.41 1.88 0.00 0.00 0.00 179.25 180.73 1bdi h TYR 107 N -0.73 0.51 0.30 0.00 0.05 -1.21 0.16 116.97 116.04 1bdi h TYR 107 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1bdi h TYR 107 Cb 0.39 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1bdi h TYR 107 CO 0.06 0.26 -0.20 1.25 -1.05 0.00 0.00 178.16 178.47 1bdi h LEU 108 N 0.49 -0.52 -0.22 3.88 5.85 -1.00 0.91 115.31 124.71 1bdi h LEU 108 Ca 0.28 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1bdi h LEU 108 Cb 0.44 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1bdi h LEU 108 CO -0.08 -0.32 0.11 0.77 -0.34 0.00 0.00 178.44 178.58 1bdi h SER 109 N -0.49 0.29 -0.63 1.25 4.64 -0.22 -0.99 113.55 117.40 1bdi h SER 109 Ca -0.03 -0.13 0.13 0.00 -0.47 0.00 0.00 61.79 61.29 1bdi h SER 109 Cb 0.42 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.34 1bdi h SER 109 CO 0.01 0.34 0.12 0.24 -0.87 0.00 0.00 176.83 176.67 1bdi h MET 110 N 0.23 0.23 0.06 4.77 2.86 -0.64 0.71 114.93 123.15 1bdi h MET 110 Ca 0.08 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1bdi h MET 110 Cb 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1bdi h MET 110 CO -0.01 0.15 -0.10 0.52 1.06 0.00 0.00 176.91 178.53 1bdi h MET 111 N 0.24 -0.20 -0.34 1.72 2.07 -0.33 0.32 114.93 118.40 1bdi h MET 111 Ca 0.34 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.99 1bdi h MET 111 Cb 0.53 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 1bdi h MET 111 CO -0.45 -0.13 0.20 0.00 1.07 0.00 0.00 176.91 177.60 1bdi h ALA 112 N 0.71 0.42 -0.82 6.32 0.00 -0.03 0.56 119.26 126.44 1bdi h ALA 112 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bdi h ALA 112 Cb 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1bdi h ALA 112 CO -0.06 -0.15 0.53 1.96 0.00 0.00 0.00 179.25 181.52 1bdi h GLN 113 N 0.41 1.01 0.00 0.00 4.20 -0.61 0.44 115.11 120.56 1bdi h GLN 113 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bdi h GLN 113 Cb -0.00 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1bdi h GLN 113 CO -0.06 0.67 0.00 1.63 -0.67 0.00 0.00 178.83 180.40 1bdi n LYS 114 N -4.56 0.12 -3.36 1.46 4.76 0.11 -4.90 118.16 111.78 1bdi n LYS 114 Ca 0.09 0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.53 1bdi n LYS 114 Cb 0.07 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.83 1bdi n LYS 114 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1bdi n ARG 115 N -1.40 -6.42 -1.74 1.97 5.12 0.15 -4.96 116.66 109.40 1bdi n ARG 115 Ca 0.06 0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 56.28 1bdi n ARG 115 Cb 0.16 -5.41 -0.01 0.00 -1.16 0.00 0.00 32.46 26.04 1bdi n ARG 115 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1bdi n VAL 116 N -4.28 1.55 -0.14 1.55 0.24 -1.12 -4.32 118.33 111.81 1bdi n VAL 116 Ca -0.09 -0.39 0.06 0.00 -2.04 0.00 0.00 64.34 61.88 1bdi n VAL 116 Cb 0.59 -1.82 0.37 0.00 -1.47 0.00 0.00 33.84 31.50 1bdi n VAL 116 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1bdi h ASP 117 N 3.63 0.62 -5.25 -1.34 3.32 -1.29 -3.46 116.42 112.65 1bdi h ASP 117 Ca -0.48 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1bdi h ASP 117 Cb 1.25 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.57 1bdi h ASP 117 CO 0.70 0.42 -0.12 -0.83 -1.72 0.00 0.00 179.24 177.69 1bdi s GLY 118 N -3.59 0.58 -0.18 2.75 0.00 -1.26 -4.39 107.32 101.23 1bdi s GLY 118 Ca -0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1bdi s GLY 118 CO 0.76 -0.65 -0.02 -2.27 0.00 0.00 0.00 173.10 170.93 1bdi s LEU 119 N -3.03 1.53 -0.15 0.66 0.20 0.17 -3.21 118.68 114.85 1bdi s LEU 119 Ca 0.23 -0.76 -0.26 0.00 0.69 0.00 0.00 54.13 54.03 1bdi s LEU 119 Cb -0.01 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.94 1bdi s LEU 119 CO 0.09 -0.24 0.85 -0.76 -0.29 0.00 0.00 176.35 176.01 1bdi s LEU 120 N 1.70 4.20 -0.17 -0.68 1.02 0.36 -1.55 118.68 123.56 1bdi s LEU 120 Ca -0.01 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.38 1bdi s LEU 120 Cb -0.16 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.77 1bdi s LEU 120 CO -0.07 -0.39 -0.16 -0.69 0.02 0.00 0.00 176.35 175.05 1bdi s VAL 121 N 2.03 2.45 -0.42 -1.59 1.01 0.08 -0.78 120.40 123.19 1bdi s VAL 121 Ca 0.40 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1bdi s VAL 121 Cb -0.17 -2.04 0.21 0.00 0.00 0.00 0.00 36.38 34.39 1bdi s VAL 121 CO 0.14 0.52 0.46 0.80 0.00 0.00 0.00 175.10 177.01 1bdi n MET 122 N 4.38 0.60 0.00 2.72 1.56 -0.49 -1.06 117.12 124.83 1bdi n MET 122 Ca -0.20 -3.30 0.12 0.00 -0.27 0.00 0.00 57.70 54.06 1bdi n MET 122 Cb 0.51 -1.47 0.27 0.00 2.15 0.00 0.00 33.22 34.67 1bdi n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1bdi n SER 124 N -0.40 0.00 -4.86 0.00 7.64 -1.26 -4.70 113.62 110.04 1bdi n SER 124 Ca 0.12 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 1bdi n SER 124 Cb 0.39 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1bdi n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bdi s GLU 125 N 0.00 3.88 -0.41 1.43 8.01 -1.26 -4.69 118.70 125.66 1bdi s GLU 125 Ca 0.00 0.68 0.04 0.00 0.01 0.00 0.00 54.97 55.70 1bdi s GLU 125 Cb 0.00 -2.30 0.17 0.00 -4.31 0.00 0.00 34.13 27.68 1bdi s GLU 125 CO 0.00 -0.09 0.36 0.71 0.01 0.00 0.00 175.26 176.25 1bdi s TYR 126 N -2.40 0.74 0.85 1.61 1.51 -1.26 -5.06 117.35 113.33 1bdi s TYR 126 Ca 0.55 -2.02 -0.12 0.00 -1.01 0.00 0.00 57.07 54.46 1bdi s TYR 126 Cb -0.10 -0.78 0.10 0.00 -0.11 0.00 0.00 41.96 41.07 1bdi s TYR 126 CO 0.29 -0.88 1.12 -2.14 -1.11 0.00 0.00 175.55 172.83 1bdi s PRO 127 N 0.31 1.68 0.19 -1.71 0.02 -1.26 -4.71 135.00 129.52 1bdi s PRO 127 Ca 0.30 0.47 -0.13 0.00 0.02 0.00 0.00 61.00 61.66 1bdi s PRO 127 Cb -0.00 -1.89 0.19 0.00 0.02 0.00 0.00 34.50 32.82 1bdi s PRO 127 CO -0.15 -1.86 1.70 0.93 -0.33 0.00 0.00 177.00 177.28 1bdi h GLU 128 N -1.26 0.17 -0.98 5.54 4.39 -2.01 0.52 114.58 120.96 1bdi h GLU 128 Ca -0.48 -0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.44 1bdi h GLU 128 Cb 1.30 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 1bdi h GLU 128 CO 0.61 0.12 0.64 -1.35 -1.16 0.00 0.00 179.01 177.87 1bdi h PRO 129 N 0.18 0.35 0.11 2.33 0.11 -2.00 0.31 132.00 133.39 1bdi h PRO 129 Ca 0.25 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 66.03 1bdi h PRO 129 Cb 0.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1bdi h PRO 129 CO -0.37 0.23 -1.55 1.25 -0.21 0.00 0.00 178.00 177.36 1bdi h LEU 130 N 0.36 0.37 -1.62 2.35 7.12 -0.46 -3.07 115.31 120.37 1bdi h LEU 130 Ca 0.52 -0.53 0.06 0.00 0.13 0.00 0.00 57.88 58.06 1bdi h LEU 130 Cb 1.39 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.37 1bdi h LEU 130 CO -0.21 1.44 0.35 -0.07 -0.13 0.00 0.00 178.44 179.83 1bdi h LEU 131 N 0.06 0.41 0.45 2.25 -0.00 0.22 -1.84 115.31 116.86 1bdi h LEU 131 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 1bdi h LEU 131 Cb 2.01 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1bdi h LEU 131 CO 0.16 0.27 -0.22 0.00 -0.00 0.00 0.00 178.44 178.65 1bdi h ALA 132 N 1.71 -0.61 -0.35 1.53 0.00 -0.55 -2.36 119.26 118.64 1bdi h ALA 132 Ca 0.23 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1bdi h ALA 132 Cb 0.31 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1bdi h ALA 132 CO -0.06 -0.69 -0.04 0.52 0.00 0.00 0.00 179.25 178.97 1bdi h MET 133 N -0.90 0.04 -1.01 0.00 2.86 -1.40 -0.82 114.93 113.70 1bdi h MET 133 Ca -0.06 -0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.81 1bdi h MET 133 Cb 0.57 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.11 1bdi h MET 133 CO 0.10 0.03 0.61 -0.07 1.06 0.00 0.00 176.91 178.64 1bdi h LEU 134 N 0.05 0.66 -2.33 1.22 3.38 -1.33 0.09 115.31 117.04 1bdi h LEU 134 Ca 0.17 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1bdi h LEU 134 Cb 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1bdi h LEU 134 CO -0.32 0.14 0.09 1.21 0.09 0.00 0.00 178.44 179.64 1bdi n GLU 135 N -4.82 2.31 -0.09 1.13 2.13 -0.32 -2.80 120.64 118.19 1bdi n GLU 135 Ca 0.26 -1.32 0.03 0.00 0.66 0.00 0.00 57.16 56.78 1bdi n GLU 135 Cb 0.73 -1.73 0.08 0.00 0.27 0.00 0.00 31.44 30.79 1bdi n GLU 135 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bdi n GLU 136 N 0.12 2.85 -0.34 5.31 1.02 0.02 -4.06 120.64 125.56 1bdi n GLU 136 Ca 0.16 -1.75 0.03 0.00 -0.02 0.00 0.00 57.16 55.58 1bdi n GLU 136 Cb 0.77 -1.13 0.04 0.00 -0.02 0.00 0.00 31.44 31.09 1bdi n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1bdi n TYR 137 N 0.02 0.00 0.23 -0.32 4.01 -1.12 -4.69 117.16 115.28 1bdi n TYR 137 Ca 0.06 -0.30 0.18 0.00 -0.16 0.00 0.00 57.90 57.67 1bdi n TYR 137 Cb 0.33 -0.08 0.87 0.00 -0.31 0.00 0.00 39.34 40.16 1bdi n TYR 137 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bdi h ARG 138 N 0.00 0.00 -0.77 -0.72 3.08 -1.70 0.49 114.38 114.76 1bdi h ARG 138 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1bdi h ARG 138 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.26 1bdi h ARG 138 CO 0.00 0.00 0.36 1.12 -1.07 0.00 0.00 179.97 180.38 1bdi h HIS 139 N 0.00 1.10 -3.33 3.04 2.07 -1.91 -3.39 115.15 112.73 1bdi h HIS 139 Ca 0.07 -0.05 -0.56 0.00 -2.85 0.00 0.00 60.37 56.98 1bdi h HIS 139 Cb 0.50 -0.34 -0.05 0.00 2.57 0.00 0.00 27.41 30.09 1bdi h HIS 139 CO 0.00 0.80 0.37 -1.50 -3.07 0.00 0.00 177.93 174.52 1bdi s ILE 140 N -5.61 4.89 0.33 6.12 1.10 0.17 -4.98 121.20 123.22 1bdi s ILE 140 Ca -0.12 1.78 -0.28 0.00 -0.51 0.00 0.00 60.65 61.53 1bdi s ILE 140 Cb 0.16 -4.20 -0.13 0.00 0.15 0.00 0.00 42.46 38.45 1bdi s ILE 140 CO 0.82 0.10 1.23 -0.81 -2.11 0.00 0.00 174.94 174.17 1bdi n PRO 141 N 4.59 1.96 -3.54 3.50 -0.04 -1.26 -4.75 135.00 135.46 1bdi n PRO 141 Ca 0.05 0.69 -0.14 0.00 -0.04 0.00 0.00 63.50 64.05 1bdi n PRO 141 Cb 0.50 -2.23 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 1bdi n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bdi s MET 142 N -1.77 0.87 -0.01 0.54 0.23 -1.26 0.45 119.30 118.34 1bdi s MET 142 Ca 0.56 0.17 0.04 0.00 -1.03 0.00 0.00 55.69 55.43 1bdi s MET 142 Cb -0.60 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.10 1bdi s MET 142 CO 0.61 -0.28 -0.14 0.54 -2.03 0.00 0.00 175.02 173.73 1bdi s VAL 143 N -1.31 1.10 -0.32 5.16 0.11 -0.60 -2.44 120.40 122.11 1bdi s VAL 143 Ca -0.06 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 1bdi s VAL 143 Cb -0.00 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1bdi s VAL 143 CO 0.05 0.31 0.21 0.68 -3.33 0.00 0.00 175.10 173.03 1bdi s VAL 144 N -0.25 5.23 -0.40 2.04 -7.23 -0.93 -0.74 120.40 118.12 1bdi s VAL 144 Ca 0.04 -0.10 0.11 0.00 -1.81 0.00 0.00 61.98 60.22 1bdi s VAL 144 Cb -0.06 -3.62 0.65 0.00 0.56 0.00 0.00 36.38 33.91 1bdi s VAL 144 CO -0.00 0.09 1.50 1.15 -0.31 0.00 0.00 175.10 177.53 1bdi n MET 145 N 5.08 4.05 -1.06 4.82 0.00 -0.22 -3.35 117.12 126.44 1bdi n MET 145 Ca -0.13 -2.51 0.04 0.00 0.00 0.00 0.00 57.70 55.10 1bdi n MET 145 Cb 0.50 -2.11 0.05 0.00 0.00 0.00 0.00 33.22 31.66 1bdi n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1bdi n ASP 146 N 0.46 0.92 -4.90 3.17 5.68 -1.26 -4.81 116.55 115.79 1bdi n ASP 146 Ca 0.23 -2.30 -0.21 0.00 -0.50 0.00 0.00 54.79 52.01 1bdi n ASP 146 Cb 1.02 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.66 1bdi n ASP 146 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1bdi s TRP 147 N -0.57 3.13 -0.16 2.11 0.51 -1.26 -4.67 118.94 118.02 1bdi s TRP 147 Ca 0.26 -0.17 0.05 0.00 -2.12 0.00 0.00 56.10 54.12 1bdi s TRP 147 Cb 0.28 -1.69 -0.23 0.00 -0.81 0.00 0.00 33.47 31.03 1bdi s TRP 147 CO -0.10 0.29 0.19 0.41 -0.51 0.00 0.00 176.95 177.22 1bdi n GLY 148 N -1.39 -0.68 3.53 0.98 0.00 -1.26 -4.35 105.19 102.02 1bdi n GLY 148 Ca -0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1bdi n GLY 148 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bdi s GLU 149 N -2.54 1.83 -1.05 1.61 1.03 -1.26 -4.78 118.70 113.53 1bdi s GLU 149 Ca -0.20 -2.06 -0.19 0.00 0.03 0.00 0.00 54.97 52.54 1bdi s GLU 149 Cb 0.07 -1.06 0.10 0.00 -0.80 0.00 0.00 34.13 32.45 1bdi s GLU 149 CO 0.74 -0.23 1.37 0.00 -1.33 0.00 0.00 175.26 175.81 1bdi s ALA 150 N -3.11 3.23 0.23 -0.84 0.00 -1.26 -4.92 121.76 115.10 1bdi s ALA 150 Ca 0.30 -2.71 -0.07 0.00 0.00 0.00 0.00 51.96 49.49 1bdi s ALA 150 Cb 0.07 -4.31 0.39 0.00 0.00 0.00 0.00 23.12 19.28 1bdi s ALA 150 CO 0.14 -3.21 1.70 0.87 0.00 0.00 0.00 175.76 175.26 1bdi h LYS 151 N 8.74 0.28 -5.29 0.00 6.56 -1.98 -3.44 116.57 121.43 1bdi h LYS 151 Ca 0.24 -0.02 -0.48 0.00 -1.06 0.00 0.00 60.65 59.33 1bdi h LYS 151 Cb 0.98 -0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 32.44 1bdi h LYS 151 CO 1.28 0.18 -0.62 0.00 -2.06 0.00 0.00 179.45 178.24 1bdi s ALA 152 N -6.07 2.40 -1.60 3.86 0.00 -1.26 -5.04 121.76 114.05 1bdi s ALA 152 Ca -0.13 -2.05 0.22 0.00 0.00 0.00 0.00 51.96 50.00 1bdi s ALA 152 Cb 0.20 0.55 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 1bdi s ALA 152 CO 0.75 -0.26 1.01 -0.40 0.00 0.00 0.00 175.76 176.86 1bdi n ASP 153 N -0.68 1.59 -1.86 0.00 5.75 -1.26 -4.29 116.55 115.80 1bdi n ASP 153 Ca -0.03 -1.30 -0.02 0.00 -0.01 0.00 0.00 54.79 53.44 1bdi n ASP 153 Cb 0.66 0.70 0.32 0.00 -1.03 0.00 0.00 41.12 41.77 1bdi n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1bdi n PHE 154 N -0.65 2.21 -3.98 2.11 -1.74 -1.26 -4.60 117.46 109.56 1bdi n PHE 154 Ca 0.07 -1.08 -0.09 0.00 -0.56 0.00 0.00 57.45 55.78 1bdi n PHE 154 Cb 0.41 -0.61 -0.07 0.00 1.52 0.00 0.00 39.48 40.72 1bdi n PHE 154 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1bdi s THR 155 N -2.94 0.07 0.39 1.97 2.01 -1.26 -4.82 115.64 111.06 1bdi s THR 155 Ca 0.54 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1bdi s THR 155 Cb 0.43 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1bdi s THR 155 CO 0.13 -0.34 0.58 -1.81 -0.69 0.00 0.00 174.62 172.50 1bdi s ASP 156 N -2.97 6.04 -0.07 3.53 1.01 -1.02 -4.16 116.67 119.03 1bdi s ASP 156 Ca 0.17 0.27 -0.06 0.00 0.71 0.00 0.00 52.55 53.65 1bdi s ASP 156 Cb 0.04 -1.69 0.02 0.00 1.01 0.00 0.00 42.92 42.30 1bdi s ASP 156 CO -0.00 -0.49 0.19 0.00 0.21 0.00 0.00 175.17 175.08 1bdi s ALA 157 N -2.39 -0.44 -0.11 5.23 0.00 0.85 -2.18 121.76 122.71 1bdi s ALA 157 Ca 0.44 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 1bdi s ALA 157 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1bdi s ALA 157 CO 0.36 -0.11 -0.08 0.54 0.00 0.00 0.00 175.76 176.46 1bdi s VAL 158 N 0.41 3.53 -0.09 0.00 0.11 -1.21 0.39 120.40 123.53 1bdi s VAL 158 Ca -0.03 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1bdi s VAL 158 Cb -0.04 -2.48 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1bdi s VAL 158 CO -0.02 0.55 -0.15 0.27 -3.33 0.00 0.00 175.10 172.42 1bdi s ILE 159 N -0.17 1.43 -1.13 7.04 -5.25 0.16 -4.24 121.20 119.05 1bdi s ILE 159 Ca 0.01 -0.63 0.27 0.00 -0.99 0.00 0.00 60.65 59.31 1bdi s ILE 159 Cb -0.13 -1.30 0.16 0.00 2.95 0.00 0.00 42.46 44.14 1bdi s ILE 159 CO 0.03 0.42 1.66 -0.90 -1.79 0.00 0.00 174.94 174.36 1bdi n ASP 160 N 3.96 0.36 -3.02 4.36 5.68 -1.26 0.57 116.55 127.19 1bdi n ASP 160 Ca -0.20 -0.08 -0.22 0.00 -0.50 0.00 0.00 54.79 53.78 1bdi n ASP 160 Cb 0.52 -0.05 0.04 0.00 -1.14 0.00 0.00 41.12 40.49 1bdi n ASP 160 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1bdi n ASN 161 N -1.38 -6.11 0.00 -1.12 3.02 -1.26 -4.22 115.26 104.19 1bdi n ASN 161 Ca 0.08 -0.31 0.03 0.00 -0.03 0.00 0.00 54.58 54.34 1bdi n ASN 161 Cb 0.33 -4.90 0.15 0.00 -0.61 0.00 0.00 39.78 34.74 1bdi n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bdi n ALA 162 N -3.70 1.70 -0.11 5.41 0.00 -1.26 -0.83 120.51 121.72 1bdi n ALA 162 Ca -0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1bdi n ALA 162 Cb 0.61 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 1bdi n ALA 162 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bdi n PHE 163 N -0.97 0.79 0.28 0.00 -0.00 -1.24 -2.23 117.46 114.10 1bdi n PHE 163 Ca 0.04 0.33 0.13 0.00 -0.00 0.00 0.00 57.45 57.94 1bdi n PHE 163 Cb 0.02 -1.08 0.82 0.00 -0.00 0.00 0.00 39.48 39.24 1bdi n PHE 163 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1bdi h GLU 164 N -0.93 0.00 0.21 -4.13 4.11 -1.30 0.68 114.58 113.21 1bdi h GLU 164 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1bdi h GLU 164 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1bdi h GLU 164 CO -0.24 0.01 -0.10 0.78 0.07 0.00 0.00 179.01 179.53 1bdi h GLY 165 N 0.06 -0.29 0.18 1.06 0.00 -1.45 0.74 103.07 103.36 1bdi h GLY 165 Ca -0.00 0.11 0.18 0.00 0.00 0.00 0.00 47.33 47.61 1bdi h GLY 165 CO 0.00 -0.11 0.59 -1.33 0.00 0.00 0.00 176.54 175.70 1bdi h GLY 166 N -0.78 1.73 1.27 4.60 0.00 -0.74 0.52 103.07 109.67 1bdi h GLY 166 Ca -0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1bdi h GLY 166 CO 0.05 -0.04 -0.20 -1.82 0.00 0.00 0.00 176.54 174.53 1bdi h TYR 167 N 0.77 0.95 -0.33 5.60 5.03 -0.75 -0.92 116.97 127.33 1bdi h TYR 167 Ca 0.56 -0.21 -0.03 0.00 2.58 0.00 0.00 58.73 61.63 1bdi h TYR 167 Cb 0.82 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1bdi h TYR 167 CO -0.02 0.96 0.10 0.52 -1.32 0.00 0.00 178.16 178.41 1bdi h MET 168 N 0.74 0.52 -0.09 1.82 2.86 0.10 -1.72 114.93 119.16 1bdi h MET 168 Ca 0.10 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1bdi h MET 168 Cb 0.72 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 1bdi h MET 168 CO 0.06 0.55 -0.52 0.00 1.06 0.00 0.00 176.91 178.05 1bdi h ALA 169 N 0.94 -0.87 0.17 6.32 0.00 -0.54 -1.63 119.26 123.66 1bdi h ALA 169 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bdi h ALA 169 Cb 0.25 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1bdi h ALA 169 CO -0.00 -1.08 -0.45 0.78 0.00 0.00 0.00 179.25 178.50 1bdi h GLY 170 N -0.60 -1.18 -0.74 0.00 0.00 -1.07 -2.95 103.07 96.53 1bdi h GLY 170 Ca 0.03 0.62 0.10 0.00 0.00 0.00 0.00 47.33 48.08 1bdi h GLY 170 CO -0.41 -0.31 -0.32 0.54 0.00 0.00 0.00 176.54 176.04 1bdi n ARG 171 N -5.04 -0.21 -0.04 4.80 5.12 -0.66 0.27 116.66 120.91 1bdi n ARG 171 Ca -0.08 1.13 -0.11 0.00 -1.93 0.00 0.00 57.85 56.87 1bdi n ARG 171 Cb 0.36 -1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 29.93 1bdi n ARG 171 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1bdi h TYR 172 N 0.00 -1.11 -0.45 -1.55 3.20 -1.14 0.30 116.97 116.21 1bdi h TYR 172 Ca 0.23 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.22 1bdi h TYR 172 Cb 0.41 0.52 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1bdi h TYR 172 CO -0.67 -0.44 0.10 -0.07 -1.64 0.00 0.00 178.16 175.43 1bdi h LEU 173 N -0.41 0.03 -0.40 2.82 3.38 -0.07 -1.24 115.31 119.42 1bdi h LEU 173 Ca 0.10 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1bdi h LEU 173 Cb 0.59 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1bdi h LEU 173 CO -0.44 0.05 0.09 0.40 0.09 0.00 0.00 178.44 178.63 1bdi h ILE 174 N 0.24 0.81 0.00 1.22 2.04 0.17 -0.14 117.51 121.84 1bdi h ILE 174 Ca 0.22 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1bdi h ILE 174 Cb 0.27 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1bdi h ILE 174 CO -0.28 0.04 0.00 -0.62 0.00 0.00 0.00 178.15 177.29 1bdi n GLU 175 N -5.09 0.99 -0.00 2.37 1.02 0.79 -3.19 120.64 117.53 1bdi n GLU 175 Ca 0.03 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.25 1bdi n GLU 175 Cb 0.18 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1bdi n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bdi n ARG 176 N -0.79 1.22 0.00 3.49 5.12 -0.09 -4.94 116.66 120.67 1bdi n ARG 176 Ca 0.14 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1bdi n ARG 176 Cb 0.06 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1bdi n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bdi n GLY 177 N 1.41 0.58 3.78 -0.13 0.00 -1.17 0.62 105.19 110.28 1bdi n GLY 177 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1bdi n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bdi s HIS 178 N -1.34 3.82 0.00 1.61 3.76 -1.02 -0.59 115.29 121.53 1bdi s HIS 178 Ca 0.00 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 1bdi s HIS 178 Cb 0.00 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1bdi s HIS 178 CO 0.00 0.41 0.00 0.54 -0.85 0.00 0.00 174.74 174.84 1bdi n ARG 179 N 1.19 1.69 -3.83 1.40 1.74 -1.26 -4.42 116.66 113.16 1bdi n ARG 179 Ca -0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.71 1bdi n ARG 179 Cb 0.49 -0.14 -0.12 0.00 -1.02 0.00 0.00 32.46 31.67 1bdi n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bdi s GLU 180 N 0.00 2.17 0.08 5.56 2.02 -1.26 -4.78 118.70 122.49 1bdi s GLU 180 Ca 0.00 -2.38 0.09 0.00 0.02 0.00 0.00 54.97 52.71 1bdi s GLU 180 Cb 0.00 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1bdi s GLU 180 CO 0.00 -1.11 -0.23 0.42 0.02 0.00 0.00 175.26 174.36 1bdi s ILE 181 N 0.16 2.46 0.31 -1.63 1.01 -1.26 -0.45 121.20 121.81 1bdi s ILE 181 Ca 0.15 -1.45 0.09 0.00 0.00 0.00 0.00 60.65 59.44 1bdi s ILE 181 Cb -0.22 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 1bdi s ILE 181 CO -0.03 0.24 -0.11 -0.83 0.00 0.00 0.00 174.94 174.21 1bdi s GLY 182 N -1.66 2.03 -0.13 6.18 0.00 0.13 -4.78 107.32 109.09 1bdi s GLY 182 Ca 0.14 -2.00 -0.09 0.00 0.00 0.00 0.00 44.72 42.77 1bdi s GLY 182 CO 0.05 -1.97 0.32 0.54 0.00 0.00 0.00 173.10 172.04 1bdi s VAL 183 N -2.69 -0.01 -0.30 1.40 0.11 -0.58 0.24 120.40 118.57 1bdi s VAL 183 Ca 0.31 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 1bdi s VAL 183 Cb 0.01 -0.47 0.08 0.00 -1.53 0.00 0.00 36.38 34.48 1bdi s VAL 183 CO 0.15 0.02 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.31 1bdi s ILE 184 N 0.69 2.03 0.54 7.04 1.01 -0.74 -0.16 121.20 131.61 1bdi s ILE 184 Ca -0.04 -1.91 -0.00 0.00 0.00 0.00 0.00 60.65 58.69 1bdi s ILE 184 Cb -0.05 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1bdi s ILE 184 CO -0.05 -0.38 0.78 -2.16 0.00 0.00 0.00 174.94 173.14 1bdi s PRO 185 N 1.09 2.69 0.63 2.79 0.04 -1.16 0.65 135.00 141.73 1bdi s PRO 185 Ca 0.03 -0.58 -0.03 0.00 0.04 0.00 0.00 61.00 60.46 1bdi s PRO 185 Cb -0.19 -2.46 0.13 0.00 0.04 0.00 0.00 34.50 32.02 1bdi s PRO 185 CO -0.08 -0.64 0.86 0.41 0.04 0.00 0.00 177.00 177.59 1bdi n GLY 186 N -2.35 0.17 3.61 0.56 0.00 -1.26 0.25 105.19 106.17 1bdi n GLY 186 Ca 0.06 -1.94 -0.50 0.00 0.00 0.00 0.00 46.02 43.64 1bdi n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bdi n PRO 187 N -2.66 1.47 0.05 1.61 -0.02 -1.23 -4.44 135.00 129.78 1bdi n PRO 187 Ca 0.13 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1bdi n PRO 187 Cb 0.47 -2.20 0.39 0.00 -0.02 0.00 0.00 33.50 32.14 1bdi n PRO 187 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1bdi n LEU 188 N 2.75 0.26 -0.48 2.45 4.77 -1.26 -1.86 117.00 123.62 1bdi n LEU 188 Ca 0.18 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.74 1bdi n LEU 188 Cb 0.23 -0.52 0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1bdi n LEU 188 CO 0.62 -0.34 0.52 -0.62 -1.33 0.00 0.00 177.39 176.25 1bdi n GLU 189 N -1.78 1.57 -4.40 3.23 4.71 -1.26 -4.15 120.64 118.57 1bdi n GLU 189 Ca 0.03 -0.69 -0.20 0.00 -0.01 0.00 0.00 57.16 56.29 1bdi n GLU 189 Cb 0.21 -1.29 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 1bdi n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1bdi s ARG 190 N -1.67 0.91 0.07 3.49 0.52 -0.78 -4.36 118.95 117.14 1bdi s ARG 190 Ca 0.13 -0.62 -0.35 0.00 -0.52 0.00 0.00 55.73 54.36 1bdi s ARG 190 Cb 0.07 -0.89 -0.18 0.00 0.52 0.00 0.00 34.95 34.47 1bdi s ARG 190 CO 0.07 0.23 1.54 -0.97 0.02 0.00 0.00 175.30 176.19 1bdi h ASN 191 N 5.27 -1.27 0.00 0.23 -1.24 -1.84 0.66 115.58 117.39 1bdi h ASN 191 Ca -0.36 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1bdi h ASN 191 Cb 1.18 0.39 0.00 0.00 0.73 0.00 0.00 38.32 40.62 1bdi h ASN 191 CO 0.46 -0.71 0.22 0.71 -1.29 0.00 0.00 177.43 176.83 1bdi h THR 192 N -1.11 0.00 0.00 -3.57 1.35 -1.91 0.28 112.91 107.96 1bdi h THR 192 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1bdi h THR 192 Cb 0.91 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1bdi h THR 192 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1bdi n GLY 193 N -1.19 1.42 0.42 5.82 0.00 0.12 -4.19 105.19 107.58 1bdi n GLY 193 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1bdi n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdi h ALA 194 N -2.00 -0.49 -0.00 4.61 0.00 0.28 -2.13 119.26 119.53 1bdi h ALA 194 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bdi h ALA 194 Cb 0.00 1.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bdi h ALA 194 CO 0.00 -0.94 -0.00 0.78 0.00 0.00 0.00 179.25 179.09 1bdi h GLY 195 N -0.06 0.01 0.52 0.00 0.00 -0.57 0.15 103.07 103.12 1bdi h GLY 195 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1bdi h GLY 195 CO -0.90 0.00 -0.02 3.21 0.00 0.00 0.00 176.54 178.84 1bdi h ARG 196 N 0.01 -0.05 -0.44 4.80 3.08 -1.27 -2.67 114.38 117.83 1bdi h ARG 196 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1bdi h ARG 196 Cb 0.01 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1bdi h ARG 196 CO 0.00 0.41 -0.22 1.25 -1.07 0.00 0.00 179.97 180.35 1bdi h LEU 197 N -0.54 -0.74 -0.07 3.04 5.85 -1.05 -1.45 115.31 120.34 1bdi h LEU 197 Ca -0.01 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1bdi h LEU 197 Cb 0.49 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1bdi h LEU 197 CO 0.01 -0.24 -0.32 0.00 -0.34 0.00 0.00 178.44 177.55 1bdi h ALA 198 N 1.15 -0.40 -0.81 1.25 0.00 -1.01 0.44 119.26 119.87 1bdi h ALA 198 Ca 0.21 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.31 1bdi h ALA 198 Cb 0.45 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1bdi h ALA 198 CO -0.52 -0.81 0.28 0.78 0.00 0.00 0.00 179.25 178.99 1bdi h GLY 199 N -0.42 1.26 0.93 0.00 0.00 -0.94 0.03 103.07 103.93 1bdi h GLY 199 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1bdi h GLY 199 CO -0.31 -0.22 -0.12 -2.75 0.00 0.00 0.00 176.54 173.14 1bdi h PHE 200 N 0.35 -0.30 -0.21 5.60 3.57 -0.21 -2.86 116.94 122.87 1bdi h PHE 200 Ca 0.48 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.99 1bdi h PHE 200 Cb 0.85 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1bdi h PHE 200 CO -0.20 -0.13 0.14 1.98 -2.23 0.00 0.00 178.31 177.87 1bdi h MET 201 N -0.40 0.22 0.23 1.11 4.05 0.17 -2.75 114.93 117.56 1bdi h MET 201 Ca -0.03 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1bdi h MET 201 Cb 0.30 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1bdi h MET 201 CO 0.05 0.15 -0.11 -0.22 0.23 0.00 0.00 176.91 177.01 1bdi h LYS 202 N 0.23 -0.30 -1.02 0.39 3.64 -0.99 0.60 116.57 119.12 1bdi h LYS 202 Ca 0.08 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.74 1bdi h LYS 202 Cb 0.06 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1bdi h LYS 202 CO -0.02 -0.06 0.66 0.00 -2.27 0.00 0.00 179.45 177.76 1bdi h ALA 203 N 0.23 2.20 -0.03 5.00 0.00 -1.39 0.41 119.26 125.68 1bdi h ALA 203 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bdi h ALA 203 Cb 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bdi h ALA 203 CO 0.05 -0.59 -0.02 1.98 0.00 0.00 0.00 179.25 180.67 1bdi h MET 204 N 0.42 0.06 -0.66 0.00 4.05 -1.10 -2.69 114.93 115.01 1bdi h MET 204 Ca 0.58 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 1bdi h MET 204 Cb 1.44 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.21 1bdi h MET 204 CO -0.29 0.52 0.32 0.93 0.23 0.00 0.00 176.91 178.62 1bdi h GLU 205 N -0.39 0.94 0.00 0.39 5.08 0.67 0.15 114.58 121.42 1bdi h GLU 205 Ca 0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1bdi h GLU 205 Cb 0.50 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1bdi h GLU 205 CO 0.01 0.72 -0.03 0.93 -1.00 0.00 0.00 179.01 179.64 1bdi h GLU 206 N 0.94 0.00 -0.28 2.33 5.08 -0.12 0.08 114.58 122.61 1bdi h GLU 206 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bdi h GLU 206 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1bdi h GLU 206 CO -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1bdi n ALA 207 N -2.32 2.38 -2.14 3.43 0.00 0.32 -4.93 120.51 117.24 1bdi n ALA 207 Ca -0.03 -0.92 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 1bdi n ALA 207 Cb 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 1bdi n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bdi n MET 208 N 1.06 -1.34 -3.30 0.00 2.81 0.02 -4.95 117.12 111.42 1bdi n MET 208 Ca 0.14 0.90 -0.38 0.00 -1.81 0.00 0.00 57.70 56.55 1bdi n MET 208 Cb 0.49 -5.31 -0.06 0.00 -0.71 0.00 0.00 33.22 27.62 1bdi n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1bdi s ILE 209 N -2.82 4.77 -0.30 2.02 1.09 -0.00 -5.00 121.20 120.97 1bdi s ILE 209 Ca 0.00 1.14 0.03 0.00 -1.10 0.00 0.00 60.65 60.72 1bdi s ILE 209 Cb 0.00 -3.86 0.08 0.00 -1.06 0.00 0.00 42.46 37.62 1bdi s ILE 209 CO 0.00 0.51 -0.02 -1.59 -0.10 0.00 0.00 174.94 173.74 1bdi s LYS 210 N -1.24 1.76 -0.10 2.79 0.00 -1.26 -4.16 119.74 117.53 1bdi s LYS 210 Ca 0.30 -1.54 -0.30 0.00 0.00 0.00 0.00 55.97 54.44 1bdi s LYS 210 Cb -0.19 -2.96 -0.02 0.00 0.00 0.00 0.00 37.83 34.67 1bdi s LYS 210 CO 0.19 -0.76 1.06 0.54 0.00 0.00 0.00 175.35 176.37 1bdi s VAL 211 N 1.07 4.65 0.23 1.79 0.11 -1.26 -4.97 120.40 122.01 1bdi s VAL 211 Ca 0.01 1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 60.69 1bdi s VAL 211 Cb -0.19 -4.24 -0.09 0.00 -1.53 0.00 0.00 36.38 30.32 1bdi s VAL 211 CO -0.07 -0.00 1.36 -2.16 -3.33 0.00 0.00 175.10 170.89 1bdi s PRO 212 N 2.09 4.34 0.66 1.54 0.04 -1.26 -4.90 135.00 137.50 1bdi s PRO 212 Ca 0.50 2.17 0.38 0.00 0.04 0.00 0.00 61.00 64.09 1bdi s PRO 212 Cb -0.20 -3.15 2.09 0.00 0.04 0.00 0.00 34.50 33.29 1bdi s PRO 212 CO 0.19 -0.31 2.21 1.05 0.04 0.00 0.00 177.00 180.18 1bdi h GLU 213 N 5.02 0.00 0.00 4.56 -0.00 -1.94 0.42 114.58 122.63 1bdi h GLU 213 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1bdi h GLU 213 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 1bdi h GLU 213 CO 0.76 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.64 1bdi n SER 214 N -3.13 0.00 -0.28 3.06 3.41 -1.26 -2.70 113.62 112.71 1bdi n SER 214 Ca -0.02 -1.19 0.04 0.00 -0.26 0.00 0.00 58.87 57.43 1bdi n SER 214 Cb 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1bdi n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1bdi n TRP 215 N -0.87 0.23 -3.85 7.33 7.02 0.15 -4.86 117.44 122.59 1bdi n TRP 215 Ca 0.17 -0.61 -0.27 0.00 -1.02 0.00 0.00 57.50 55.76 1bdi n TRP 215 Cb 0.08 -0.08 -0.17 0.00 -2.42 0.00 0.00 31.31 28.72 1bdi n TRP 215 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 1bdi s ILE 216 N -1.46 0.89 -0.09 -0.99 2.07 -1.10 -1.52 121.20 119.00 1bdi s ILE 216 Ca 0.16 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 58.95 1bdi s ILE 216 Cb 0.11 -1.11 0.01 0.00 0.13 0.00 0.00 42.46 41.61 1bdi s ILE 216 CO 0.06 0.11 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.37 1bdi s VAL 217 N 1.73 1.38 0.31 4.00 1.01 0.77 -4.98 120.40 124.61 1bdi s VAL 217 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1bdi s VAL 217 Cb -0.15 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1bdi s VAL 217 CO -0.07 0.41 1.39 -1.10 0.00 0.00 0.00 175.10 175.73 1bdi s GLN 218 N 0.82 4.28 0.48 2.72 -1.52 -1.26 -2.97 119.66 122.21 1bdi s GLN 218 Ca -0.11 2.31 0.03 0.00 -1.95 0.00 0.00 55.36 55.64 1bdi s GLN 218 Cb -0.16 -3.07 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1bdi s GLN 218 CO 0.02 -0.34 0.05 0.20 -0.25 0.00 0.00 175.29 174.96 1bdi s GLY 219 N -0.08 2.80 -0.04 3.09 0.00 0.14 -4.89 107.32 108.33 1bdi s GLY 219 Ca 0.54 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1bdi s GLY 219 CO 0.51 -2.14 1.03 2.09 0.00 0.00 0.00 173.10 174.59 1bdi n ASP 220 N -1.23 2.02 0.00 1.64 5.68 -1.26 -3.51 116.55 119.89 1bdi n ASP 220 Ca -0.13 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1bdi n ASP 220 Cb 0.67 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1bdi n ASP 220 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1bdi n PHE 221 N -0.79 0.00 -4.23 2.11 3.72 -1.26 -4.87 117.46 112.14 1bdi n PHE 221 Ca 0.05 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.11 1bdi n PHE 221 Cb 0.40 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.83 1bdi n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1bdi s GLU 222 N -0.07 3.74 0.32 -1.08 0.41 -1.26 -4.20 118.70 116.56 1bdi s GLU 222 Ca 0.00 -0.43 0.19 0.00 -0.41 0.00 0.00 54.97 54.32 1bdi s GLU 222 Cb 0.00 -3.03 1.16 0.00 -1.78 0.00 0.00 34.13 30.47 1bdi s GLU 222 CO 0.00 0.31 1.33 -0.35 -0.49 0.00 0.00 175.26 176.06 1bdi n PRO 223 N 3.38 -0.05 -0.35 0.39 -0.04 -1.26 0.54 135.00 137.62 1bdi n PRO 223 Ca -0.17 1.15 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1bdi n PRO 223 Cb 0.52 -2.10 0.16 0.00 -0.04 0.00 0.00 33.50 32.05 1bdi n PRO 223 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bdi h GLU 224 N 0.00 1.20 -0.24 0.54 4.57 -1.93 0.88 114.58 119.60 1bdi h GLU 224 Ca 0.72 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.77 1bdi h GLU 224 Cb 1.96 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1bdi h GLU 224 CO -0.62 0.80 -0.13 0.66 -1.18 0.00 0.00 179.01 178.54 1bdi h SER 225 N 1.24 0.38 -0.05 1.04 4.64 -0.30 -1.85 113.55 118.64 1bdi h SER 225 Ca 0.37 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1bdi h SER 225 Cb -0.04 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1bdi h SER 225 CO -0.10 0.54 -0.00 1.23 -0.87 0.00 0.00 176.83 177.63 1bdi h GLY 226 N 0.87 0.10 -0.01 -0.77 0.00 -0.86 -1.09 103.07 101.31 1bdi h GLY 226 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1bdi h GLY 226 CO 0.03 0.07 -0.19 -1.82 0.00 0.00 0.00 176.54 174.62 1bdi h TYR 227 N -0.20 -0.57 -0.66 5.60 5.03 -0.43 -1.24 116.97 124.50 1bdi h TYR 227 Ca 0.02 0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1bdi h TYR 227 Cb 0.34 0.25 -0.13 0.00 1.55 0.00 0.00 36.73 38.74 1bdi h TYR 227 CO 0.03 -0.20 -0.23 0.00 -1.32 0.00 0.00 178.16 176.44 1bdi h ARG 228 N -0.23 -0.05 0.37 1.82 -0.00 -1.38 -0.23 114.38 114.67 1bdi h ARG 228 Ca 0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1bdi h ARG 228 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.22 1bdi h ARG 228 CO -0.13 -0.04 -0.35 0.00 0.00 0.00 0.00 179.97 179.44 1bdi h ALA 229 N 1.46 -0.77 -0.61 0.04 0.00 -0.74 0.50 119.26 119.14 1bdi h ALA 229 Ca 0.30 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1bdi h ALA 229 Cb 0.52 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1bdi h ALA 229 CO -0.71 -0.97 0.21 1.98 0.00 0.00 0.00 179.25 179.76 1bdi h MET 230 N -0.74 0.37 -0.34 0.00 -1.53 -0.86 0.45 114.93 112.27 1bdi h MET 230 Ca -0.03 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1bdi h MET 230 Cb 0.67 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.60 1bdi h MET 230 CO -0.05 0.24 0.16 0.37 0.14 0.00 0.00 176.91 177.77 1bdi h GLN 231 N 0.38 0.33 -0.71 0.39 4.15 -0.46 0.15 115.11 119.34 1bdi h GLN 231 Ca 0.31 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.77 1bdi h GLN 231 Cb 0.40 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.96 1bdi h GLN 231 CO -0.33 0.22 0.40 0.37 -1.93 0.00 0.00 178.83 177.56 1bdi h GLN 232 N 0.34 0.70 0.33 1.69 4.15 0.25 -0.61 115.11 121.96 1bdi h GLN 232 Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1bdi h GLN 232 Cb 0.07 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1bdi h GLN 232 CO -0.11 0.46 -0.16 0.82 -1.93 0.00 0.00 178.83 177.91 1bdi h ILE 233 N 0.72 0.00 -0.02 2.39 5.03 0.18 -3.11 117.51 122.70 1bdi h ILE 233 Ca 0.32 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.95 1bdi h ILE 233 Cb 0.22 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1bdi h ILE 233 CO -0.19 0.00 0.09 -0.07 -0.68 0.00 0.00 178.15 177.30 1bdi h LEU 234 N -0.56 0.00 -5.03 1.44 3.38 -0.83 -3.13 115.31 110.59 1bdi h LEU 234 Ca -0.04 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.32 1bdi h LEU 234 Cb 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1bdi h LEU 234 CO 0.07 0.00 2.22 -0.24 0.09 0.00 0.00 178.44 180.58 1bdi n SER 235 N -3.20 7.68 -3.60 -0.43 2.88 -0.24 -4.87 113.62 111.83 1bdi n SER 235 Ca -0.02 -2.86 -0.12 0.00 -1.33 0.00 0.00 58.87 54.53 1bdi n SER 235 Cb 0.16 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.14 1bdi n SER 235 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bdi s GLN 236 N 0.21 0.70 0.05 -1.46 -2.07 -1.18 -4.92 119.66 110.99 1bdi s GLN 236 Ca 0.62 0.55 -0.10 0.00 -1.82 0.00 0.00 55.36 54.62 1bdi s GLN 236 Cb 0.23 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.47 1bdi s GLN 236 CO -0.09 -0.14 0.57 -0.35 -1.32 0.00 0.00 175.29 173.96 1bdi n PRO 237 N 1.81 -0.14 -4.38 9.60 -0.04 -1.26 -3.87 135.00 136.72 1bdi n PRO 237 Ca -0.14 0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 1bdi n PRO 237 Cb 0.56 -0.82 -0.11 0.00 -0.04 0.00 0.00 33.50 33.08 1bdi n PRO 237 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1bdi s HIS 238 N -4.76 3.06 0.04 0.54 5.65 -1.26 -5.11 115.29 113.44 1bdi s HIS 238 Ca -0.04 -0.16 0.02 0.00 0.25 0.00 0.00 55.06 55.13 1bdi s HIS 238 Cb 0.03 -1.92 -0.02 0.00 -1.18 0.00 0.00 32.58 29.49 1bdi s HIS 238 CO 0.20 0.09 -0.08 -0.98 -0.65 0.00 0.00 174.74 173.32 1bdi s ARG 239 N 0.08 0.52 1.14 2.88 1.70 -1.25 -5.01 118.95 119.01 1bdi s ARG 239 Ca 0.00 -0.74 -0.16 0.00 -0.47 0.00 0.00 55.73 54.37 1bdi s ARG 239 Cb -0.13 -0.30 0.26 0.00 -0.57 0.00 0.00 34.95 34.21 1bdi s ARG 239 CO 0.02 0.05 1.08 -1.25 -1.08 0.00 0.00 175.30 174.12 1bdi s PRO 240 N -1.52 -0.70 0.00 3.89 0.04 -1.26 -4.95 135.00 130.49 1bdi s PRO 240 Ca -0.10 0.29 0.11 0.00 0.04 0.00 0.00 61.00 61.34 1bdi s PRO 240 Cb -0.10 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 32.89 1bdi s PRO 240 CO 0.00 -3.44 0.80 0.25 0.04 0.00 0.00 177.00 174.66 1bdi n THR 241 N -4.63 0.00 -3.67 1.26 -2.24 0.40 -4.95 114.28 100.45 1bdi n THR 241 Ca 0.08 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1bdi n THR 241 Cb 0.58 1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 69.93 1bdi n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bdi s ALA 242 N -1.02 -1.51 -0.06 6.98 0.00 -1.01 -2.38 121.76 122.76 1bdi s ALA 242 Ca 0.12 1.77 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1bdi s ALA 242 Cb 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1bdi s ALA 242 CO 0.16 -0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 1bdi s VAL 243 N 0.53 1.42 -0.25 0.00 1.01 -0.36 0.18 120.40 122.93 1bdi s VAL 243 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1bdi s VAL 243 Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1bdi s VAL 243 CO -0.02 0.41 0.13 0.12 0.00 0.00 0.00 175.10 175.75 1bdi s PHE 244 N 0.37 3.21 -0.31 5.22 5.36 0.14 -1.33 117.98 130.63 1bdi s PHE 244 Ca -0.11 -0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.76 1bdi s PHE 244 Cb -0.15 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 1bdi s PHE 244 CO 0.04 -0.12 0.12 0.00 -1.46 0.00 0.00 175.22 173.81 1bdi n GLY 246 N 4.93 -0.76 3.52 0.00 0.00 0.21 -3.08 105.19 110.01 1bdi n GLY 246 Ca -0.14 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 1bdi n GLY 246 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bdi s GLY 247 N -3.59 -0.52 0.30 -0.02 0.00 -1.25 -4.55 107.32 97.69 1bdi s GLY 247 Ca -0.04 1.36 0.05 0.00 0.00 0.00 0.00 44.72 46.09 1bdi s GLY 247 CO 0.66 0.86 1.77 -0.55 0.00 0.00 0.00 173.10 175.83 1bdi h ASP 248 N 2.76 0.72 0.05 1.64 5.19 -1.14 -1.02 116.42 124.62 1bdi h ASP 248 Ca -0.26 0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.07 1bdi h ASP 248 Cb 1.17 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 1bdi h ASP 248 CO 0.37 0.25 -0.65 0.40 -3.12 0.00 0.00 179.24 176.49 1bdi h ILE 249 N 0.72 1.33 -0.79 0.35 1.08 -1.88 0.33 117.51 118.65 1bdi h ILE 249 Ca 0.57 -1.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.07 1bdi h ILE 249 Cb 0.89 1.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 1bdi h ILE 249 CO -0.39 0.60 0.38 0.24 -0.69 0.00 0.00 178.15 178.29 1bdi h MET 250 N 0.41 1.13 -0.42 2.37 2.86 -1.65 -0.83 114.93 118.80 1bdi h MET 250 Ca -0.01 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1bdi h MET 250 Cb 1.22 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1bdi h MET 250 CO 0.12 0.86 0.24 0.00 1.06 0.00 0.00 176.91 179.19 1bdi h ALA 251 N 1.30 0.53 -0.11 6.32 0.00 -0.63 0.58 119.26 127.25 1bdi h ALA 251 Ca 0.27 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1bdi h ALA 251 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bdi h ALA 251 CO -0.04 -0.10 0.08 0.00 0.00 0.00 0.00 179.25 179.20 1bdi h MET 252 N 0.48 0.00 0.17 0.00 3.00 0.95 0.24 114.93 119.77 1bdi h MET 252 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.86 1bdi h MET 252 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.64 1bdi h MET 252 CO -0.09 0.00 -0.08 0.78 0.00 0.00 0.00 176.91 177.51 1bdi h GLY 253 N 0.00 -0.24 -0.09 -3.00 0.00 0.12 -2.98 103.07 96.88 1bdi h GLY 253 Ca 0.05 0.09 0.25 0.00 0.00 0.00 0.00 47.33 47.72 1bdi h GLY 253 CO -0.00 -0.09 0.63 0.00 0.00 0.00 0.00 176.54 177.08 1bdi h ALA 254 N -0.21 1.98 0.67 3.60 0.00 0.73 -1.62 119.26 124.40 1bdi h ALA 254 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bdi h ALA 254 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bdi h ALA 254 CO 0.04 -0.40 -0.38 -0.07 0.00 0.00 0.00 179.25 178.44 1bdi h LEU 255 N 0.52 -0.93 -0.21 0.00 4.07 -0.44 -2.83 115.31 115.49 1bdi h LEU 255 Ca 0.61 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.64 1bdi h LEU 255 Cb 1.30 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.27 1bdi h LEU 255 CO -0.38 -0.61 -0.24 0.00 -1.08 0.00 0.00 178.44 176.14 1bdi h ALA 257 N -0.71 1.59 -0.55 0.00 0.00 -1.57 0.47 119.26 118.49 1bdi h ALA 257 Ca 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1bdi h ALA 257 Cb 0.24 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1bdi h ALA 257 CO -0.27 -0.36 0.23 0.00 0.00 0.00 0.00 179.25 178.84 1bdi h ALA 258 N 1.74 1.36 -0.07 0.00 0.00 -1.14 -0.33 119.26 120.82 1bdi h ALA 258 Ca 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1bdi h ALA 258 Cb 1.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bdi h ALA 258 CO -0.53 0.48 -0.02 0.22 0.00 0.00 0.00 179.25 179.40 1bdi h ASP 259 N 0.79 0.14 0.36 0.00 3.58 0.59 0.15 116.42 122.03 1bdi h ASP 259 Ca 0.19 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1bdi h ASP 259 Cb 0.15 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1bdi h ASP 259 CO -0.02 0.48 0.00 -0.62 -2.88 0.00 0.00 179.24 176.20 1bdi n GLU 260 N -4.81 0.10 -0.61 0.28 1.02 0.35 -0.66 120.64 116.32 1bdi n GLU 260 Ca -0.07 0.45 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 1bdi n GLU 260 Cb 0.23 -1.74 0.32 0.00 -0.02 0.00 0.00 31.44 30.23 1bdi n GLU 260 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1bdi n MET 261 N -1.93 3.74 -1.50 3.49 2.81 -0.19 -4.95 117.12 118.59 1bdi n MET 261 Ca 0.01 -2.91 -0.17 0.00 -1.81 0.00 0.00 57.70 52.82 1bdi n MET 261 Cb 0.13 -1.96 -0.07 0.00 -0.71 0.00 0.00 33.22 30.60 1bdi n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bdi n GLY 262 N 0.21 1.66 3.91 3.03 0.00 0.17 -4.98 105.19 109.18 1bdi n GLY 262 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1bdi n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bdi s LEU 263 N -4.23 3.84 -0.09 0.99 1.02 0.49 -5.00 118.68 115.69 1bdi s LEU 263 Ca 0.00 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 54.94 1bdi s LEU 263 Cb 0.00 -3.70 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 1bdi s LEU 263 CO 0.00 -0.40 -0.03 -0.13 0.02 0.00 0.00 176.35 175.81 1bdi s ARG 264 N -4.24 3.03 -0.12 1.70 1.81 -1.26 -4.20 118.95 115.67 1bdi s ARG 264 Ca 0.45 -0.48 0.03 0.00 -1.72 0.00 0.00 55.73 54.02 1bdi s ARG 264 Cb -0.10 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1bdi s ARG 264 CO 0.37 0.60 -0.22 0.08 -0.68 0.00 0.00 175.30 175.45 1bdi s VAL 265 N -0.62 2.02 -1.75 3.52 1.01 -1.26 0.13 120.40 123.44 1bdi s VAL 265 Ca 0.10 -0.98 0.17 0.00 0.00 0.00 0.00 61.98 61.27 1bdi s VAL 265 Cb -0.12 -1.77 0.54 0.00 0.00 0.00 0.00 36.38 35.03 1bdi s VAL 265 CO 0.02 0.55 1.44 -0.81 0.00 0.00 0.00 175.10 176.30 1bdi n PRO 266 N 3.82 2.63 -0.25 2.72 -0.04 -1.26 -4.60 135.00 138.01 1bdi n PRO 266 Ca -0.20 -2.17 0.06 0.00 -0.04 0.00 0.00 63.50 61.15 1bdi n PRO 266 Cb 0.52 -1.56 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 1bdi n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1bdi h GLN 267 N 3.39 0.26 0.05 0.54 7.50 -1.79 -3.14 115.11 121.92 1bdi h GLN 267 Ca 0.00 -0.02 -0.37 0.00 0.50 0.00 0.00 58.65 58.76 1bdi h GLN 267 Cb 0.93 -0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.35 1bdi h GLN 267 CO 0.06 0.17 -2.21 -0.25 -1.50 0.00 0.00 178.83 175.10 1bdi n ASP 268 N -5.17 1.79 -3.90 1.46 8.00 0.34 -4.93 116.55 114.14 1bdi n ASP 268 Ca 0.15 0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.53 1bdi n ASP 268 Cb 0.48 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.96 1bdi n ASP 268 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bdi s VAL 269 N -2.54 0.44 0.19 2.53 1.01 -0.58 -4.88 120.40 116.57 1bdi s VAL 269 Ca -0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1bdi s VAL 269 Cb 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 1bdi s VAL 269 CO 0.71 0.18 0.46 -0.44 0.00 0.00 0.00 175.10 176.00 1bdi s SER 270 N 0.64 6.53 -0.12 3.32 0.01 -1.00 -4.19 113.70 118.88 1bdi s SER 270 Ca -0.08 0.72 -0.08 0.00 1.31 0.00 0.00 55.95 57.82 1bdi s SER 270 Cb -0.11 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 64.02 1bdi s SER 270 CO -0.00 -0.02 0.31 -0.22 0.41 0.00 0.00 173.24 173.72 1bdi s LEU 271 N -2.81 0.45 -0.01 2.44 2.96 -0.16 -1.22 118.68 120.32 1bdi s LEU 271 Ca 0.44 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 1bdi s LEU 271 Cb -0.12 1.01 -0.01 0.00 0.50 0.00 0.00 46.19 47.57 1bdi s LEU 271 CO 0.24 -0.15 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.42 1bdi s ILE 272 N 0.87 1.46 0.00 6.68 2.07 -0.44 -4.32 121.20 127.52 1bdi s ILE 272 Ca -0.06 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 1bdi s ILE 272 Cb -0.07 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.31 1bdi s ILE 272 CO -0.06 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 1bdi n GLY 273 N 2.64 4.08 3.60 1.50 0.00 -0.73 -0.78 105.19 115.50 1bdi n GLY 273 Ca -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 1bdi n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bdi s TYR 274 N 2.10 -0.86 0.00 1.61 6.14 -1.18 -2.99 117.35 122.17 1bdi s TYR 274 Ca 0.00 1.63 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1bdi s TYR 274 Cb 0.00 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.90 1bdi s TYR 274 CO 0.00 -0.43 0.00 -0.25 0.64 0.00 0.00 175.55 175.51 1bdi n ASP 275 N 4.38 0.00 -2.81 4.32 9.92 0.17 -0.67 116.55 131.86 1bdi n ASP 275 Ca -0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.98 1bdi n ASP 275 Cb 0.56 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.09 1bdi n ASP 275 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1bdi n ASN 276 N 0.00 -4.65 -4.77 -2.24 5.15 -1.09 -1.29 115.26 106.38 1bdi n ASN 276 Ca 0.00 -0.52 -0.40 0.00 -0.60 0.00 0.00 54.58 53.07 1bdi n ASN 276 Cb 0.00 -4.02 -0.02 0.00 -0.53 0.00 0.00 39.78 35.21 1bdi n ASN 276 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bdi s VAL 277 N -3.29 2.96 0.05 3.44 1.01 -1.26 -4.77 120.40 118.54 1bdi s VAL 277 Ca 0.26 0.90 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1bdi s VAL 277 Cb -0.03 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1bdi s VAL 277 CO 0.55 0.16 0.23 0.54 0.00 0.00 0.00 175.10 176.58 1bdi n ARG 278 N 0.51 -0.01 -2.46 2.72 1.74 -1.26 -0.88 116.66 117.03 1bdi n ARG 278 Ca 0.02 0.21 -0.18 0.00 -0.77 0.00 0.00 57.85 57.12 1bdi n ARG 278 Cb 0.44 -0.35 0.02 0.00 -1.02 0.00 0.00 32.46 31.55 1bdi n ARG 278 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bdi n ASN 279 N -3.59 3.56 0.01 0.55 2.04 -1.26 -4.63 115.26 111.94 1bdi n ASN 279 Ca 0.05 -3.24 0.13 0.00 -0.44 0.00 0.00 54.58 51.07 1bdi n ASN 279 Cb 0.15 -0.45 0.46 0.00 -2.53 0.00 0.00 39.78 37.42 1bdi n ASN 279 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1bdi n ALA 280 N -0.47 2.78 0.28 -2.53 0.00 -0.06 -2.58 120.51 117.93 1bdi n ALA 280 Ca 0.29 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1bdi n ALA 280 Cb 0.80 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 19.10 1bdi n ALA 280 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bdi h ARG 281 N 0.00 0.00 -0.51 0.00 1.12 -1.82 -1.75 114.38 111.42 1bdi h ARG 281 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1bdi h ARG 281 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1bdi h ARG 281 CO 0.00 0.00 0.00 0.66 -3.11 0.00 0.00 179.97 177.52 1bdi n TYR 282 N -2.92 1.42 -1.59 2.20 4.01 -1.06 -4.46 117.16 114.76 1bdi n TYR 282 Ca 0.04 -0.70 -0.29 0.00 -0.16 0.00 0.00 57.90 56.79 1bdi n TYR 282 Cb 0.51 -0.31 0.14 0.00 -0.31 0.00 0.00 39.34 39.38 1bdi n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1bdi s PHE 283 N -2.25 2.29 -0.22 -0.72 0.40 -1.07 -4.95 117.98 111.46 1bdi s PHE 283 Ca 0.47 0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 57.53 1bdi s PHE 283 Cb 0.34 -3.50 0.07 0.00 0.51 0.00 0.00 43.02 40.44 1bdi s PHE 283 CO 0.18 -2.46 0.04 0.99 0.70 0.00 0.00 175.22 174.67 1bdi s THR 284 N -3.37 0.67 0.95 0.64 2.01 -1.26 -2.37 115.64 112.91 1bdi s THR 284 Ca 0.65 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 1bdi s THR 284 Cb -0.13 -1.21 0.16 0.00 0.01 0.00 0.00 72.50 71.34 1bdi s THR 284 CO 0.53 -0.29 1.14 -2.16 -0.69 0.00 0.00 174.62 173.16 1bdi s PRO 285 N 1.78 0.83 -0.10 4.92 0.04 -1.26 -4.94 135.00 136.27 1bdi s PRO 285 Ca 0.00 0.23 -0.34 0.00 0.04 0.00 0.00 61.00 60.93 1bdi s PRO 285 Cb -0.17 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1bdi s PRO 285 CO -0.11 -2.39 1.88 0.00 0.04 0.00 0.00 177.00 176.42 1bdi n ALA 286 N -3.89 0.83 -2.08 8.56 0.00 -1.00 -4.74 120.51 118.19 1bdi n ALA 286 Ca 0.07 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1bdi n ALA 286 Cb 0.59 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 1bdi n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bdi s LEU 287 N 4.13 4.36 -0.16 0.00 2.96 -0.68 0.39 118.68 129.67 1bdi s LEU 287 Ca 0.93 2.38 -0.19 0.00 -0.22 0.00 0.00 54.13 57.04 1bdi s LEU 287 Cb -0.71 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.37 1bdi s LEU 287 CO 0.52 -0.75 0.51 -0.89 -1.32 0.00 0.00 176.35 174.43 1bdi s THR 288 N 1.66 5.14 0.36 3.68 2.01 -1.26 -4.24 115.64 122.99 1bdi s THR 288 Ca 0.67 0.98 -0.04 0.00 0.31 0.00 0.00 61.69 63.62 1bdi s THR 288 Cb -0.38 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1bdi s THR 288 CO 0.30 0.24 0.54 0.28 -0.69 0.00 0.00 174.62 175.29 1bdi s THR 289 N 1.19 0.00 -0.19 -0.82 -1.32 -0.52 -1.78 115.64 112.20 1bdi s THR 289 Ca 0.26 -1.51 -0.13 0.00 -1.21 0.00 0.00 61.69 59.10 1bdi s THR 289 Cb -0.15 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1bdi s THR 289 CO 0.10 0.00 0.25 -0.63 -2.21 0.00 0.00 174.62 172.13 1bdi s ILE 290 N -2.82 5.32 -0.14 5.08 -1.09 -1.16 -0.12 121.20 126.27 1bdi s ILE 290 Ca 0.28 0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 58.96 1bdi s ILE 290 Cb -0.01 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1bdi s ILE 290 CO 0.20 0.36 0.42 -2.28 -1.23 0.00 0.00 174.94 172.41 1bdi s HIS 291 N 0.73 3.49 -0.20 3.97 5.65 0.39 0.45 115.29 129.78 1bdi s HIS 291 Ca 0.13 0.79 -0.06 0.00 0.25 0.00 0.00 55.06 56.17 1bdi s HIS 291 Cb -0.13 -2.49 -0.03 0.00 -1.18 0.00 0.00 32.58 28.75 1bdi s HIS 291 CO 0.03 0.17 0.03 -1.14 -0.65 0.00 0.00 174.74 173.19 1bdi s GLN 292 N 0.63 3.76 -0.96 2.88 0.74 -0.41 -2.08 119.66 124.21 1bdi s GLN 292 Ca 0.23 -0.45 -0.23 0.00 0.05 0.00 0.00 55.36 54.95 1bdi s GLN 292 Cb -0.14 -3.15 -0.14 0.00 1.10 0.00 0.00 33.01 30.67 1bdi s GLN 292 CO 0.08 0.10 1.92 -0.35 -0.55 0.00 0.00 175.29 176.49 1bdi n PRO 293 N 4.02 1.35 -0.05 1.67 -0.05 -1.26 -4.74 135.00 135.94 1bdi n PRO 293 Ca -0.17 -2.11 -0.12 0.00 -0.05 0.00 0.00 63.50 61.05 1bdi n PRO 293 Cb 0.52 -3.40 -0.06 0.00 -0.05 0.00 0.00 33.50 30.51 1bdi n PRO 293 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 175.50 177.02 1bdi h LYS 294 N 9.27 0.28 -0.30 0.54 2.10 -1.94 -1.96 116.57 124.56 1bdi h LYS 294 Ca 0.27 -0.10 0.04 0.00 -2.00 0.00 0.00 60.65 58.86 1bdi h LYS 294 Cb 0.84 -0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.07 1bdi h LYS 294 CO 1.51 0.55 -0.55 0.22 -2.00 0.00 0.00 179.45 179.18 1bdi h ASP 295 N -0.01 -1.79 -0.80 7.07 3.58 -1.89 0.42 116.42 123.00 1bdi h ASP 295 Ca 0.04 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.74 1bdi h ASP 295 Cb 0.44 0.72 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1bdi h ASP 295 CO 0.01 -0.43 0.52 0.77 -2.88 0.00 0.00 179.24 177.23 1bdi h SER 296 N -0.47 0.88 -0.28 2.28 4.64 -1.97 -0.27 113.55 118.37 1bdi h SER 296 Ca 0.06 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1bdi h SER 296 Cb 0.63 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 1bdi h SER 296 CO -0.53 0.62 -0.06 0.25 -0.87 0.00 0.00 176.83 176.23 1bdi h LEU 297 N 1.04 -0.25 0.70 5.97 6.46 -0.39 0.53 115.31 129.38 1bdi h LEU 297 Ca 0.31 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1bdi h LEU 297 Cb -0.05 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1bdi h LEU 297 CO -0.09 -0.09 -0.42 1.23 -0.62 0.00 0.00 178.44 178.45 1bdi h GLY 298 N 0.01 -1.16 1.76 3.75 0.00 0.11 -1.47 103.07 106.08 1bdi h GLY 298 Ca 0.13 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1bdi h GLY 298 CO -0.28 -0.40 0.05 1.05 0.00 0.00 0.00 176.54 176.96 1bdi h GLU 299 N -1.06 0.31 -0.05 4.80 4.11 -0.90 0.28 114.58 122.06 1bdi h GLU 299 Ca -0.09 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 1bdi h GLU 299 Cb 0.85 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1bdi h GLU 299 CO 0.10 0.29 -0.44 1.15 0.07 0.00 0.00 179.01 180.18 1bdi h THR 300 N 0.31 1.32 -0.06 -1.06 2.02 0.25 -0.60 112.91 115.09 1bdi h THR 300 Ca 0.08 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 1bdi h THR 300 Cb 0.13 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1bdi h THR 300 CO -0.00 0.46 -0.14 0.00 0.37 0.00 0.00 175.52 176.20 1bdi h ALA 301 N 1.46 0.10 -0.30 6.16 0.00 0.11 -2.50 119.26 124.28 1bdi h ALA 301 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1bdi h ALA 301 Cb 0.82 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1bdi h ALA 301 CO 0.06 -0.00 -0.02 0.35 0.00 0.00 0.00 179.25 179.64 1bdi h PHE 302 N -0.31 -0.05 -0.14 0.00 3.57 -1.05 -2.14 116.94 116.81 1bdi h PHE 302 Ca -0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1bdi h PHE 302 Cb 0.74 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1bdi h PHE 302 CO 0.12 -0.07 -0.36 -0.91 -2.23 0.00 0.00 178.31 174.87 1bdi h ASN 303 N 0.07 -1.11 -0.42 0.41 2.35 -1.09 0.12 115.58 115.90 1bdi h ASN 303 Ca 0.14 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 56.12 1bdi h ASN 303 Cb 0.20 0.47 -0.06 0.00 0.05 0.00 0.00 38.32 38.98 1bdi h ASN 303 CO -0.26 -0.38 0.08 0.24 -1.65 0.00 0.00 177.43 175.46 1bdi h MET 304 N -0.42 0.20 -0.09 0.81 2.86 -1.04 -1.81 114.93 115.44 1bdi h MET 304 Ca 0.09 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1bdi h MET 304 Cb 0.58 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1bdi h MET 304 CO -0.38 0.13 -0.13 1.25 1.06 0.00 0.00 176.91 178.84 1bdi h LEU 305 N 0.21 -0.41 -0.66 1.22 5.85 -0.74 -1.78 115.31 119.00 1bdi h LEU 305 Ca 0.20 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.14 1bdi h LEU 305 Cb 0.25 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 1bdi h LEU 305 CO -0.27 -0.18 0.08 0.25 -0.34 0.00 0.00 178.44 177.98 1bdi h LEU 306 N -0.18 -0.13 -0.03 2.25 5.85 -0.29 0.18 115.31 122.96 1bdi h LEU 306 Ca 0.08 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1bdi h LEU 306 Cb 0.29 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1bdi h LEU 306 CO -0.20 -0.07 -0.20 -0.78 -0.34 0.00 0.00 178.44 176.85 1bdi h ASP 307 N 0.19 -0.63 -0.85 1.25 3.58 -0.50 0.65 116.42 120.11 1bdi h ASP 307 Ca 0.35 0.07 0.18 0.00 0.42 0.00 0.00 57.03 58.06 1bdi h ASP 307 Cb 0.58 0.24 -0.11 0.00 1.72 0.00 0.00 39.33 41.76 1bdi h ASP 307 CO -0.50 -0.18 0.38 0.03 -2.88 0.00 0.00 179.24 176.08 1bdi h ARG 308 N -0.23 0.46 0.18 0.28 3.08 -0.85 0.65 114.38 117.95 1bdi h ARG 308 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1bdi h ARG 308 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1bdi h ARG 308 CO -0.15 0.30 -0.10 0.82 -1.07 0.00 0.00 179.97 179.77 1bdi h ILE 309 N 0.47 0.00 0.06 2.04 2.04 0.84 0.53 117.51 123.49 1bdi h ILE 309 Ca 0.50 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.36 1bdi h ILE 309 Cb 0.85 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1bdi h ILE 309 CO -0.46 0.00 -0.03 -0.37 0.00 0.00 0.00 178.15 177.30 1bdi h VAL 310 N -0.26 1.27 0.00 1.67 -1.51 0.77 -3.14 116.25 115.04 1bdi h VAL 310 Ca -0.02 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 1bdi h VAL 310 Cb 0.20 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1bdi h VAL 310 CO 0.03 0.34 0.00 0.59 -1.23 0.00 0.00 177.57 177.31 1bdi n ASN 311 N -4.81 0.32 -4.31 4.19 4.13 0.22 -4.83 115.26 110.16 1bdi n ASN 311 Ca -0.08 -1.43 -0.38 0.00 1.68 0.00 0.00 54.58 54.37 1bdi n ASN 311 Cb 0.31 -0.16 -0.08 0.00 -1.54 0.00 0.00 39.78 38.31 1bdi n ASN 311 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1bdi n LYS 312 N -0.22 -0.77 -2.17 3.52 5.02 0.12 -4.86 118.16 118.81 1bdi n LYS 312 Ca 0.00 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1bdi n LYS 312 Cb 0.08 -4.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.86 1bdi n LYS 312 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bdi s ARG 313 N -6.86 4.38 -0.26 1.97 3.52 -0.87 -4.95 118.95 115.87 1bdi s ARG 313 Ca 0.64 2.13 -0.07 0.00 -0.13 0.00 0.00 55.73 58.30 1bdi s ARG 313 Cb -0.37 -3.13 -0.14 0.00 -1.56 0.00 0.00 34.95 29.75 1bdi s ARG 313 CO 0.95 -0.21 -0.29 0.39 -0.81 0.00 0.00 175.30 175.34 1bdi n GLU 314 N 1.75 0.59 -2.10 5.12 -0.58 -1.26 -4.74 120.64 119.42 1bdi n GLU 314 Ca 0.03 0.20 -0.35 0.00 -0.42 0.00 0.00 57.16 56.62 1bdi n GLU 314 Cb 0.42 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.84 1bdi n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1bdi s GLU 315 N -2.49 3.13 0.77 3.49 2.02 -1.26 -5.00 118.70 119.36 1bdi s GLU 315 Ca -0.36 1.69 -0.11 0.00 0.02 0.00 0.00 54.97 56.21 1bdi s GLU 315 Cb 0.12 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.44 1bdi s GLU 315 CO 0.52 -1.05 1.09 -2.14 0.02 0.00 0.00 175.26 173.70 1bdi s PRO 316 N -3.37 2.31 0.18 0.39 0.02 -1.26 -5.00 135.00 128.28 1bdi s PRO 316 Ca 0.74 0.68 -0.07 0.00 0.02 0.00 0.00 61.00 62.37 1bdi s PRO 316 Cb -0.27 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 1bdi s PRO 316 CO 0.31 -1.47 0.26 -1.14 -0.33 0.00 0.00 177.00 174.63 1bdi s GLN 317 N -5.16 1.21 -0.24 5.54 0.74 -1.26 -5.02 119.66 115.48 1bdi s GLN 317 Ca 0.60 -1.33 -0.13 0.00 0.05 0.00 0.00 55.36 54.55 1bdi s GLN 317 Cb -0.14 0.35 0.08 0.00 1.10 0.00 0.00 33.01 34.40 1bdi s GLN 317 CO 0.54 -0.44 0.57 -1.54 -0.55 0.00 0.00 175.29 173.87 1bdi s SER 318 N -3.03 -0.77 -0.05 6.67 1.04 -1.25 -0.11 113.70 116.20 1bdi s SER 318 Ca 0.24 1.27 0.06 0.00 0.48 0.00 0.00 55.95 58.00 1bdi s SER 318 Cb 0.04 1.22 -0.01 0.00 0.10 0.00 0.00 66.02 67.37 1bdi s SER 318 CO 0.05 -0.22 -0.22 -0.63 0.98 0.00 0.00 173.24 173.20 1bdi s ILE 319 N 1.68 1.80 0.10 -1.02 1.09 0.16 -4.94 121.20 120.07 1bdi s ILE 319 Ca -0.09 -0.93 -0.09 0.00 -1.10 0.00 0.00 60.65 58.43 1bdi s ILE 319 Cb -0.07 -1.52 -0.06 0.00 -1.06 0.00 0.00 42.46 39.75 1bdi s ILE 319 CO -0.17 0.51 0.42 -1.61 -0.10 0.00 0.00 174.94 173.98 1bdi s GLU 320 N -0.16 3.76 0.12 2.79 2.02 -1.26 0.40 118.70 126.37 1bdi s GLU 320 Ca -0.01 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.21 1bdi s GLU 320 Cb -0.12 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1bdi s GLU 320 CO 0.02 0.53 -0.15 0.54 0.02 0.00 0.00 175.26 176.22 1bdi s VAL 321 N -1.46 1.41 -0.11 2.63 0.11 0.19 -4.89 120.40 118.28 1bdi s VAL 321 Ca 0.35 -1.70 0.03 0.00 -2.93 0.00 0.00 61.98 57.73 1bdi s VAL 321 Cb -0.14 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1bdi s VAL 321 CO 0.19 -0.36 -0.18 -1.00 -3.33 0.00 0.00 175.10 170.42 1bdi s HIS 322 N -1.98 2.17 0.54 1.54 3.76 -1.26 -4.10 115.29 115.96 1bdi s HIS 322 Ca 0.09 -0.97 -0.18 0.00 -0.15 0.00 0.00 55.06 53.84 1bdi s HIS 322 Cb -0.06 -1.51 -0.06 0.00 1.11 0.00 0.00 32.58 32.06 1bdi s HIS 322 CO 0.04 -0.45 1.05 -1.25 -0.85 0.00 0.00 174.74 173.27 1bdi s PRO 323 N 0.73 3.55 -0.09 8.40 0.04 -1.26 -4.70 135.00 141.68 1bdi s PRO 323 Ca -0.11 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 1bdi s PRO 323 Cb -0.16 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1bdi s PRO 323 CO 0.02 -0.64 0.28 -0.98 0.04 0.00 0.00 177.00 175.72 1bdi s ARG 324 N -3.61 0.40 0.23 4.56 1.70 -0.89 -4.93 118.95 116.41 1bdi s ARG 324 Ca 0.66 0.25 -0.31 0.00 -0.47 0.00 0.00 55.73 55.86 1bdi s ARG 324 Cb -0.17 0.19 -0.11 0.00 -0.57 0.00 0.00 34.95 34.29 1bdi s ARG 324 CO 0.28 -0.07 1.61 -1.17 -1.08 0.00 0.00 175.30 174.87 1bdi s LEU 325 N -0.18 4.36 -0.19 -1.89 1.98 -1.26 -0.46 118.68 121.04 1bdi s LEU 325 Ca -0.03 2.81 0.01 0.00 -2.89 0.00 0.00 54.13 54.02 1bdi s LEU 325 Cb -0.03 -3.61 0.04 0.00 0.66 0.00 0.00 46.19 43.25 1bdi s LEU 325 CO 0.01 -0.88 -0.10 -0.63 -1.89 0.00 0.00 176.35 172.86 1bdi s ILE 326 N 0.65 1.56 -0.46 6.68 -1.09 0.83 -4.88 121.20 124.49 1bdi s ILE 326 Ca 0.68 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.97 1bdi s ILE 326 Cb -0.47 -1.63 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1bdi s ILE 326 CO 0.38 0.21 0.79 -1.61 -1.23 0.00 0.00 174.94 173.48 1bdi s GLU 327 N 1.44 3.38 0.00 2.79 2.02 -1.26 -1.43 118.70 125.63 1bdi s GLU 327 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1bdi s GLU 327 Cb -0.16 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.12 1bdi s GLU 327 CO -0.08 -1.16 0.00 -2.13 0.02 0.00 0.00 175.26 171.91 1bdi n ARG 328 N 6.75 0.00 -0.66 1.61 3.00 -1.26 -4.96 116.66 121.14 1bdi n ARG 328 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.87 1bdi n ARG 328 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1bdi n ARG 328 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1bdi n ARG 329 N 0.00 0.00 -0.02 -0.14 1.85 0.16 -4.74 116.66 113.76 1bdi n ARG 329 Ca 0.00 -1.13 0.12 0.00 -1.00 0.00 0.00 57.85 55.83 1bdi n ARG 329 Cb 0.00 -0.40 0.56 0.00 -1.05 0.00 0.00 32.46 31.57 1bdi n ARG 329 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1bdi n SER 330 N 0.08 0.73 -4.28 2.89 3.41 -1.00 -4.45 113.62 110.99 1bdi n SER 330 Ca 0.01 -1.45 -0.23 0.00 -0.26 0.00 0.00 58.87 56.94 1bdi n SER 330 Cb 0.77 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 1bdi n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bdi s VAL 331 N -1.94 1.68 0.05 -3.33 1.01 -1.26 -0.99 120.40 115.62 1bdi s VAL 331 Ca 0.34 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1bdi s VAL 331 Cb 0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1bdi s VAL 331 CO 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 175.10 175.24 1bdi s ALA 332 N -1.29 0.42 0.20 5.51 0.00 -1.26 -4.94 121.76 120.40 1bdi s ALA 332 Ca 0.07 -1.09 -0.33 0.00 0.00 0.00 0.00 51.96 50.61 1bdi s ALA 332 Cb -0.09 0.26 -0.13 0.00 0.00 0.00 0.00 23.12 23.15 1bdi s ALA 332 CO 0.04 -0.34 1.52 -0.25 0.00 0.00 0.00 175.76 176.73 1bdi n ASP 333 N 0.33 3.03 -4.67 0.00 8.00 -1.26 -4.87 116.55 117.12 1bdi n ASP 333 Ca -0.16 1.11 -0.24 0.00 0.71 0.00 0.00 54.79 56.21 1bdi n ASP 333 Cb 0.60 -1.44 0.11 0.00 -0.02 0.00 0.00 41.12 40.37 1bdi n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1bdi s GLY 334 N 0.64 1.76 0.55 0.44 0.00 0.20 -4.90 107.32 106.02 1bdi s GLY 334 Ca 0.73 -1.49 0.28 0.00 0.00 0.00 0.00 44.72 44.25 1bdi s GLY 334 CO 0.43 -0.95 1.95 -2.55 0.00 0.00 0.00 173.10 171.98 1bdi h PRO 335 N -0.63 0.00 -0.43 2.90 0.11 -1.73 -2.42 132.00 129.80 1bdi h PRO 335 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1bdi h PRO 335 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1bdi h PRO 335 CO 0.44 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.42 1bdi n PHE 336 N -4.12 0.56 -0.28 0.65 3.01 0.25 -4.57 117.46 112.95 1bdi n PHE 336 Ca 0.11 -0.29 0.10 0.00 1.01 0.00 0.00 57.45 58.37 1bdi n PHE 336 Cb 0.69 -0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.41 1bdi n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1bdi h ARG 337 N 4.30 0.33 0.00 -1.08 2.43 -1.59 0.65 114.38 119.42 1bdi h ARG 337 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bdi h ARG 337 Cb 0.97 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1bdi h ARG 337 CO 0.00 0.22 0.00 -0.44 -1.51 0.00 0.00 179.97 178.24 1bdi h ASP 338 N 0.34 0.00 -2.60 -3.80 3.32 -1.83 -3.29 116.42 108.55 1bdi h ASP 338 Ca 0.50 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.78 1bdi h ASP 338 Cb 0.91 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.15 1bdi h ASP 338 CO -0.53 0.00 0.58 -1.22 -1.72 0.00 0.00 179.24 176.35 1bdi n TYR 339 N -2.66 2.67 -1.72 4.55 4.02 0.22 -5.25 117.16 119.00 1bdi n TYR 339 Ca 0.01 -2.87 0.00 0.00 -0.01 0.00 0.00 57.90 55.04 1bdi n TYR 339 Cb 0.27 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.49 1bdi n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39