#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsu h LEU 3 N 0.00 -0.13 -0.71 1.04 5.85 -1.98 -0.68 115.31 118.70 1bsu h LEU 3 Ca 0.00 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1bsu h LEU 3 Cb 0.00 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 1bsu h LEU 3 CO 0.00 0.14 0.31 -0.09 -0.34 0.00 0.00 178.44 178.46 1bsu h ARG 4 N -0.41 0.48 -0.30 1.25 2.43 -2.00 0.18 114.38 116.01 1bsu h ARG 4 Ca -0.02 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1bsu h ARG 4 Cb 0.33 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1bsu h ARG 4 CO 0.03 0.32 -0.39 0.66 -1.51 0.00 0.00 179.97 179.07 1bsu h SER 5 N 0.49 0.86 -0.00 -3.80 4.64 -1.97 -2.72 113.55 111.05 1bsu h SER 5 Ca 0.37 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1bsu h SER 5 Cb 0.49 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1bsu h SER 5 CO -0.34 1.19 0.00 0.44 -0.87 0.00 0.00 176.83 177.25 1bsu h ASP 6 N 0.56 0.01 -0.33 4.97 3.32 -0.39 -1.52 116.42 123.03 1bsu h ASP 6 Ca 0.04 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 56.95 1bsu h ASP 6 Cb 0.98 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1bsu h ASP 6 CO 0.09 0.21 -0.15 0.25 -1.72 0.00 0.00 179.24 177.92 1bsu h LEU 7 N -0.20 -0.52 -0.53 1.55 5.85 -0.73 0.59 115.31 121.31 1bsu h LEU 7 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1bsu h LEU 7 Cb 0.21 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1bsu h LEU 7 CO -0.00 -0.19 0.33 0.40 -0.34 0.00 0.00 178.44 178.64 1bsu h ILE 8 N -0.10 1.09 -0.23 4.05 2.04 -1.43 0.14 117.51 123.07 1bsu h ILE 8 Ca 0.17 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1bsu h ILE 8 Cb 0.36 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1bsu h ILE 8 CO -0.39 0.12 0.11 0.78 0.00 0.00 0.00 178.15 178.77 1bsu h ASN 9 N 0.67 0.31 -0.85 1.72 4.21 -0.20 -0.11 115.58 121.33 1bsu h ASN 9 Ca 0.21 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 1bsu h ASN 9 Cb -0.02 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 1bsu h ASN 9 CO -0.07 0.36 0.41 0.00 -1.29 0.00 0.00 177.43 176.83 1bsu h ALA 10 N 0.96 1.11 -0.06 -0.83 0.00 0.58 -0.47 119.26 120.55 1bsu h ALA 10 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bsu h ALA 10 Cb 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bsu h ALA 10 CO -0.01 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1bsu h LEU 11 N 1.22 0.13 -1.61 0.00 3.38 -0.58 -1.33 115.31 116.51 1bsu h LEU 11 Ca 0.29 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1bsu h LEU 11 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1bsu h LEU 11 CO -0.04 0.49 0.03 0.22 0.09 0.00 0.00 178.44 179.22 1bsu h TYR 12 N -0.23 0.27 0.24 1.13 5.03 -0.93 -1.89 116.97 120.58 1bsu h TYR 12 Ca 0.02 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1bsu h TYR 12 Cb 0.43 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1bsu h TYR 12 CO 0.06 0.27 -0.11 0.22 -1.32 0.00 0.00 178.16 177.27 1bsu h ASP 13 N 0.27 -0.27 -0.96 -2.11 3.58 -0.88 -3.11 116.42 112.95 1bsu h ASP 13 Ca 0.07 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.68 1bsu h ASP 13 Cb 0.15 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.18 1bsu h ASP 13 CO -0.00 -0.10 0.61 -0.33 -2.88 0.00 0.00 179.24 176.53 1bsu h GLU 14 N -0.49 0.76 -0.83 0.28 5.08 -1.23 -0.98 114.58 117.18 1bsu h GLU 14 Ca -0.03 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1bsu h GLU 14 Cb 0.24 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 1bsu h GLU 14 CO 0.05 0.50 0.47 -0.97 -1.00 0.00 0.00 179.01 178.07 1bsu h ASN 15 N 0.79 0.66 0.83 1.42 -0.00 -1.41 0.17 115.58 118.03 1bsu h ASN 15 Ca 0.50 0.05 -0.22 0.00 -0.00 0.00 0.00 56.30 56.63 1bsu h ASN 15 Cb 0.73 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.96 1bsu h ASN 15 CO -0.27 0.36 -1.02 1.56 -0.00 0.00 0.00 177.43 178.06 1bsu h GLN 16 N 0.77 0.10 0.00 6.67 1.08 -1.13 -3.31 115.11 119.29 1bsu h GLN 16 Ca 0.41 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1bsu h GLN 16 Cb 0.40 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1bsu h GLN 16 CO -0.26 1.03 -0.02 0.36 -0.95 0.00 0.00 178.83 178.99 1bsu n LYS 17 N -3.46 0.25 -4.13 1.46 0.00 -0.64 -4.86 118.16 106.78 1bsu n LYS 17 Ca -0.03 0.20 -0.15 0.00 -0.00 0.00 0.00 58.31 58.34 1bsu n LYS 17 Cb 0.93 -1.79 -0.13 0.00 -0.00 0.00 0.00 35.03 34.03 1bsu n LYS 17 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1bsu s TYR 18 N -3.10 0.59 -0.22 5.58 2.02 -0.05 -5.08 117.35 117.10 1bsu s TYR 18 Ca 0.11 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1bsu s TYR 18 Cb 0.13 -0.36 0.06 0.00 -0.40 0.00 0.00 41.96 41.38 1bsu s TYR 18 CO 0.60 -0.04 0.01 -0.51 -1.57 0.00 0.00 175.55 174.04 1bsu s ASP 19 N -0.79 3.31 0.27 2.29 1.01 -1.26 -4.72 116.67 116.77 1bsu s ASP 19 Ca -0.03 -1.00 -0.30 0.00 0.71 0.00 0.00 52.55 51.93 1bsu s ASP 19 Cb -0.06 -0.82 -0.10 0.00 1.01 0.00 0.00 42.92 42.95 1bsu s ASP 19 CO 0.00 -0.29 1.41 -0.69 0.21 0.00 0.00 175.17 175.81 1bsu s VAL 20 N 1.68 2.68 0.00 -1.27 1.01 -1.26 -4.95 120.40 118.29 1bsu s VAL 20 Ca -0.02 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1bsu s VAL 20 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1bsu s VAL 20 CO -0.08 0.10 0.10 0.00 0.00 0.00 0.00 175.10 175.22 1bsu n GLY 22 N 0.47 -1.58 3.76 0.00 0.00 -1.26 -4.21 105.19 102.38 1bsu n GLY 22 Ca 0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1bsu n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bsu s ILE 23 N -2.09 4.31 0.05 -0.61 -4.36 -0.01 -4.91 121.20 113.58 1bsu s ILE 23 Ca 0.00 -1.12 0.04 0.00 -0.26 0.00 0.00 60.65 59.31 1bsu s ILE 23 Cb 0.00 -3.18 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 1bsu s ILE 23 CO 0.00 -0.08 -0.11 -0.51 0.24 0.00 0.00 174.94 174.48 1bsu s ILE 24 N -1.70 0.86 0.09 8.37 2.07 -1.26 -1.25 121.20 128.39 1bsu s ILE 24 Ca 0.30 -1.09 -0.04 0.00 -1.41 0.00 0.00 60.65 58.41 1bsu s ILE 24 Cb -0.10 -0.84 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1bsu s ILE 24 CO 0.22 -0.21 0.31 -0.94 -1.91 0.00 0.00 174.94 172.41 1bsu s SER 25 N -1.45 6.45 0.59 4.50 1.04 0.27 -4.97 113.70 120.14 1bsu s SER 25 Ca -0.04 0.49 0.34 0.00 0.48 0.00 0.00 55.95 57.22 1bsu s SER 25 Cb -0.09 -2.05 1.86 0.00 0.10 0.00 0.00 66.02 65.84 1bsu s SER 25 CO 0.01 0.12 2.04 0.00 0.98 0.00 0.00 173.24 176.40 1bsu h ALA 26 N 3.11 1.12 -0.27 5.32 0.00 -2.01 0.63 119.26 127.16 1bsu h ALA 26 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bsu h ALA 26 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bsu h ALA 26 CO 0.72 -0.12 0.00 -0.85 0.00 0.00 0.00 179.25 179.00 1bsu n GLU 27 N -2.81 2.64 -0.86 0.00 -0.00 -1.26 -4.93 120.64 113.42 1bsu n GLU 27 Ca -0.02 -1.41 0.00 0.00 -0.00 0.00 0.00 57.16 55.73 1bsu n GLU 27 Cb 0.18 -1.76 0.00 0.00 -0.00 0.00 0.00 31.44 29.86 1bsu n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bsu n GLY 28 N 0.40 0.44 3.78 -1.84 0.00 0.22 -5.00 105.19 103.18 1bsu n GLY 28 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1bsu n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bsu s LYS 29 N -0.63 4.47 -0.07 1.61 0.00 -1.25 -3.78 119.74 120.08 1bsu s LYS 29 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 55.97 57.04 1bsu s LYS 29 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 37.83 34.54 1bsu s LYS 29 CO 0.00 0.54 -0.15 0.42 0.00 0.00 0.00 175.35 176.16 1bsu s ILE 30 N -0.97 2.96 -0.08 3.79 1.01 0.22 -0.57 121.20 127.56 1bsu s ILE 30 Ca 0.34 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1bsu s ILE 30 Cb -0.22 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1bsu s ILE 30 CO 0.24 0.57 -0.19 -0.31 0.00 0.00 0.00 174.94 175.25 1bsu s TYR 31 N -0.38 2.62 0.99 3.97 1.51 -0.38 -0.87 117.35 124.81 1bsu s TYR 31 Ca 0.04 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 1bsu s TYR 31 Cb -0.12 -1.68 0.18 0.00 -0.11 0.00 0.00 41.96 40.22 1bsu s TYR 31 CO 0.02 -0.13 1.09 -2.14 -1.11 0.00 0.00 175.55 173.28 1bsu s PRO 32 N -0.12 0.52 0.28 -1.71 0.02 -1.26 -0.83 135.00 131.90 1bsu s PRO 32 Ca -0.03 0.67 0.06 0.00 0.02 0.00 0.00 61.00 61.72 1bsu s PRO 32 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1bsu s PRO 32 CO 0.04 -2.70 0.33 -0.51 -0.33 0.00 0.00 177.00 173.82 1bsu s LEU 33 N -6.48 4.00 0.13 -5.54 1.43 -1.26 -4.75 118.68 106.21 1bsu s LEU 33 Ca 0.65 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1bsu s LEU 33 Cb -0.19 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1bsu s LEU 33 CO 0.58 -0.18 0.24 -0.83 0.23 0.00 0.00 176.35 176.39 1bsu s GLY 34 N -3.99 1.83 -0.79 -3.19 0.00 -1.26 -4.72 107.32 95.20 1bsu s GLY 34 Ca 0.37 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 1bsu s GLY 34 CO 0.28 -1.01 2.40 -1.26 0.00 0.00 0.00 173.10 173.51 1bsu n SER 35 N -0.29 7.15 -4.29 1.64 2.88 -1.26 -4.58 113.62 114.86 1bsu n SER 35 Ca -0.07 -3.41 -0.18 0.00 -1.33 0.00 0.00 58.87 53.88 1bsu n SER 35 Cb 0.53 -1.21 -0.11 0.00 -0.75 0.00 0.00 64.21 62.68 1bsu n SER 35 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1bsu s ASP 36 N -0.20 2.27 0.29 -3.46 -4.77 -1.26 -4.88 116.67 104.66 1bsu s ASP 36 Ca 0.54 -0.92 0.06 0.00 -3.30 0.00 0.00 52.55 48.92 1bsu s ASP 36 Cb 0.34 -0.10 0.46 0.00 -1.09 0.00 0.00 42.92 42.53 1bsu s ASP 36 CO -0.24 -0.17 1.71 0.74 0.70 0.00 0.00 175.17 177.92 1bsu h THR 37 N 3.03 1.30 -0.60 2.11 2.02 -1.97 0.15 112.91 118.94 1bsu h THR 37 Ca -0.39 -1.45 0.08 0.00 0.77 0.00 0.00 66.41 65.42 1bsu h THR 37 Cb 1.21 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 1bsu h THR 37 CO 0.57 0.44 0.40 0.11 0.37 0.00 0.00 175.52 177.40 1bsu h LYS 38 N 0.24 0.50 0.00 6.66 6.56 -1.97 0.35 116.57 128.92 1bsu h LYS 38 Ca 0.03 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1bsu h LYS 38 Cb 0.78 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1bsu h LYS 38 CO 0.06 0.33 -0.00 0.28 -2.06 0.00 0.00 179.45 178.06 1bsu h VAL 39 N 0.51 1.63 -0.75 0.50 2.07 -1.63 -3.32 116.25 115.26 1bsu h VAL 39 Ca 0.27 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1bsu h VAL 39 Cb 0.39 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 1bsu h VAL 39 CO -0.08 0.55 0.30 -0.07 0.02 0.00 0.00 177.57 178.28 1bsu h LEU 40 N -0.98 1.03 -1.17 2.57 3.38 -0.06 -2.44 115.31 117.63 1bsu h LEU 40 Ca -0.00 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1bsu h LEU 40 Cb 0.90 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1bsu h LEU 40 CO 0.00 0.91 0.57 0.77 0.09 0.00 0.00 178.44 180.78 1bsu h SER 41 N 1.09 0.95 -0.25 -0.43 4.64 -0.50 0.38 113.55 119.42 1bsu h SER 41 Ca 0.25 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1bsu h SER 41 Cb 0.21 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1bsu h SER 41 CO -0.02 0.66 0.08 0.74 -0.87 0.00 0.00 176.83 177.43 1bsu h THR 42 N 1.11 1.19 0.15 2.95 2.02 -1.56 -2.68 112.91 116.08 1bsu h THR 42 Ca 0.33 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1bsu h THR 42 Cb -0.04 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1bsu h THR 42 CO -0.09 0.20 -0.07 0.40 0.37 0.00 0.00 175.52 176.33 1bsu h ILE 43 N 0.24 0.88 -0.32 3.11 1.08 -0.84 -2.71 117.51 118.94 1bsu h ILE 43 Ca 0.08 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1bsu h ILE 43 Cb 0.22 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1bsu h ILE 43 CO -0.00 0.02 0.21 -0.26 -0.69 0.00 0.00 178.15 177.43 1bsu h PHE 44 N -0.23 0.39 0.00 1.37 0.04 -0.96 0.51 116.94 118.06 1bsu h PHE 44 Ca -0.02 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1bsu h PHE 44 Cb 0.18 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1bsu h PHE 44 CO -0.06 0.24 -0.63 1.05 -0.60 0.00 0.00 178.31 178.31 1bsu h GLU 45 N 0.41 0.00 -0.14 1.51 4.11 -1.40 -2.25 114.58 116.82 1bsu h GLU 45 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.33 1bsu h GLU 45 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bsu h GLU 45 CO -0.03 0.63 -0.79 -0.07 0.07 0.00 0.00 179.01 178.83 1bsu h LEU 46 N 0.00 0.90 -1.21 3.06 3.38 -0.94 -2.81 115.31 117.69 1bsu h LEU 46 Ca -0.01 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1bsu h LEU 46 Cb 1.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1bsu h LEU 46 CO 0.08 1.39 0.00 0.15 0.09 0.00 0.00 178.44 180.15 1bsu h PHE 47 N 0.51 0.00 0.00 1.13 3.57 -0.91 -3.22 116.94 118.02 1bsu h PHE 47 Ca -0.05 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.10 1bsu h PHE 47 Cb 1.41 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 1bsu h PHE 47 CO 0.08 0.00 -2.23 0.43 -2.23 0.00 0.00 178.31 174.36 1bsu n SER 48 N -2.77 0.19 -0.18 0.41 7.64 -0.85 -4.59 113.62 113.48 1bsu n SER 48 Ca 0.01 0.09 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1bsu n SER 48 Cb 0.27 0.78 0.02 0.00 -1.01 0.00 0.00 64.21 64.27 1bsu n SER 48 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1bsu h ARG 49 N 0.00 -0.13 -0.64 1.43 3.08 -1.50 -1.40 114.38 115.22 1bsu h ARG 49 Ca -0.48 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.60 1bsu h ARG 49 Cb 2.17 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 32.21 1bsu h ARG 49 CO 0.04 -0.08 0.41 -1.35 -1.07 0.00 0.00 179.97 177.91 1bsu h PRO 50 N -0.13 0.78 -0.04 0.04 0.11 -1.81 -0.65 132.00 130.30 1bsu h PRO 50 Ca 0.24 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1bsu h PRO 50 Cb 0.51 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1bsu h PRO 50 CO -0.62 0.52 0.02 0.82 -0.21 0.00 0.00 178.00 178.52 1bsu h ILE 51 N 0.80 1.10 -0.68 4.15 2.04 -1.68 0.95 117.51 124.20 1bsu h ILE 51 Ca 0.25 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1bsu h ILE 51 Cb -0.01 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1bsu h ILE 51 CO -0.09 0.08 0.33 0.40 0.00 0.00 0.00 178.15 178.87 1bsu h ILE 52 N -0.06 1.23 -0.39 -0.67 2.04 -1.22 -1.45 117.51 116.99 1bsu h ILE 52 Ca 0.01 -0.63 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 1bsu h ILE 52 Cb 0.12 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1bsu h ILE 52 CO -0.00 0.26 -0.27 -1.13 0.00 0.00 0.00 178.15 177.02 1bsu h ASN 53 N 0.95 0.84 0.72 1.72 -1.24 -0.94 0.09 115.58 117.71 1bsu h ASN 53 Ca 0.23 -0.33 -0.04 0.00 0.71 0.00 0.00 56.30 56.88 1bsu h ASN 53 Cb 0.11 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 38.94 1bsu h ASN 53 CO -0.03 1.06 -0.34 0.11 -1.29 0.00 0.00 177.43 176.93 1bsu h LYS 54 N 0.70 -0.93 -0.46 6.67 6.56 -0.58 -1.75 116.57 126.78 1bsu h LYS 54 Ca 0.09 0.06 0.09 0.00 -1.06 0.00 0.00 60.65 59.83 1bsu h LYS 54 Cb 0.80 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.65 1bsu h LYS 54 CO 0.07 -0.60 0.31 0.82 -2.06 0.00 0.00 179.45 178.00 1bsu h ILE 55 N -1.17 0.89 -0.01 1.86 1.08 -1.31 -1.47 117.51 117.38 1bsu h ILE 55 Ca -0.10 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1bsu h ILE 55 Cb 0.76 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1bsu h ILE 55 CO 0.16 0.04 -0.01 0.00 -0.69 0.00 0.00 178.15 177.65 1bsu h ALA 56 N 1.77 0.02 -0.69 1.87 0.00 -0.83 -3.05 119.26 118.34 1bsu h ALA 56 Ca 0.21 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1bsu h ALA 56 Cb 0.52 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1bsu h ALA 56 CO -0.04 -0.22 0.38 1.05 0.00 0.00 0.00 179.25 180.42 1bsu h GLU 57 N -0.46 0.66 -0.98 0.00 -0.00 -0.83 0.09 114.58 113.06 1bsu h GLU 57 Ca 0.00 -0.04 0.27 0.00 -0.00 0.00 0.00 59.36 59.59 1bsu h GLU 57 Cb 0.52 -0.15 -0.06 0.00 -0.00 0.00 0.00 28.75 29.06 1bsu h GLU 57 CO 0.00 0.44 0.68 -0.22 -0.00 0.00 0.00 179.01 179.91 1bsu h LYS 58 N 0.68 0.15 -0.47 1.06 3.64 -1.22 0.14 116.57 120.56 1bsu h LYS 58 Ca 0.32 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1bsu h LYS 58 Cb 0.23 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1bsu h LYS 58 CO -0.20 0.10 0.09 0.72 -2.27 0.00 0.00 179.45 177.88 1bsu n HIS 59 N -4.37 1.61 -0.98 1.91 8.25 -0.05 -4.94 115.22 116.65 1bsu n HIS 59 Ca 0.21 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1bsu n HIS 59 Cb 0.95 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1bsu n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsu n GLY 60 N -0.41 0.25 3.81 -1.41 0.00 0.50 -5.00 105.19 102.94 1bsu n GLY 60 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 1bsu n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bsu s TYR 61 N -1.54 3.69 0.26 1.61 2.02 -0.77 -4.55 117.35 118.07 1bsu s TYR 61 Ca 0.00 1.44 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 1bsu s TYR 61 Cb 0.00 -2.65 -0.06 0.00 -0.40 0.00 0.00 41.96 38.86 1bsu s TYR 61 CO 0.00 0.36 0.53 0.42 -1.57 0.00 0.00 175.55 175.29 1bsu s ILE 62 N -1.47 5.03 -0.06 2.71 1.01 0.70 -4.00 121.20 125.12 1bsu s ILE 62 Ca 0.42 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1bsu s ILE 62 Cb -0.18 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1bsu s ILE 62 CO 0.22 -0.24 -0.15 -0.69 0.00 0.00 0.00 174.94 174.07 1bsu s VAL 63 N -1.99 1.34 -0.01 2.92 1.01 -1.26 -2.19 120.40 120.22 1bsu s VAL 63 Ca 0.44 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1bsu s VAL 63 Cb -0.11 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1bsu s VAL 63 CO 0.28 0.40 -0.11 -1.61 0.00 0.00 0.00 175.10 174.05 1bsu s GLU 64 N 0.33 0.98 0.20 2.72 2.02 -0.77 -4.98 118.70 119.18 1bsu s GLU 64 Ca -0.10 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1bsu s GLU 64 Cb -0.14 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 1bsu s GLU 64 CO 0.03 0.23 0.03 -1.21 0.02 0.00 0.00 175.26 174.36 1bsu s GLU 65 N -0.18 2.46 0.57 1.61 2.02 -1.26 -1.01 118.70 122.91 1bsu s GLU 65 Ca 0.03 -1.15 -0.20 0.00 0.02 0.00 0.00 54.97 53.67 1bsu s GLU 65 Cb -0.05 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1bsu s GLU 65 CO -0.00 0.43 1.24 -2.30 0.02 0.00 0.00 175.26 174.65 1bsu n PRO 66 N -0.38 1.38 -0.05 0.39 -0.02 -1.26 -4.90 135.00 130.16 1bsu n PRO 66 Ca -0.09 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1bsu n PRO 66 Cb 0.56 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 1bsu n PRO 66 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1bsu n LYS 67 N -1.13 0.69 -3.65 -0.52 0.00 -1.26 -4.88 118.16 107.41 1bsu n LYS 67 Ca 0.12 0.20 -0.35 0.00 -0.00 0.00 0.00 58.31 58.29 1bsu n LYS 67 Cb 0.45 -1.66 -0.05 0.00 -0.00 0.00 0.00 35.03 33.77 1bsu n LYS 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1bsu s GLN 68 N -2.55 3.69 0.42 -1.58 0.00 -1.26 -5.01 119.66 113.36 1bsu s GLN 68 Ca -0.18 0.07 0.29 0.00 -0.00 0.00 0.00 55.36 55.54 1bsu s GLN 68 Cb 0.07 -3.03 1.18 0.00 0.00 0.00 0.00 33.01 31.24 1bsu s GLN 68 CO 0.76 0.59 1.86 1.96 0.00 0.00 0.00 175.29 180.46 1bsu h GLN 69 N 3.79 0.00 -1.69 9.60 4.20 -2.03 -3.25 115.11 125.73 1bsu h GLN 69 Ca -0.49 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.60 1bsu h GLN 69 Cb 1.19 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.57 1bsu h GLN 69 CO 0.67 0.00 -0.48 0.27 -0.67 0.00 0.00 178.83 178.62 1bsu n ASN 70 N -2.71 5.06 -4.31 1.46 6.94 -1.26 -5.01 115.26 115.43 1bsu n ASN 70 Ca 0.01 -3.73 -0.24 0.00 -0.02 0.00 0.00 54.58 50.61 1bsu n ASN 70 Cb 0.28 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 37.02 1bsu n ASN 70 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1bsu s HIS 71 N -3.61 1.85 0.13 -2.53 3.76 -1.23 -4.75 115.29 108.92 1bsu s HIS 71 Ca 0.48 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 55.03 1bsu s HIS 71 Cb 0.38 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1bsu s HIS 71 CO -0.21 0.26 -0.02 -0.47 -0.85 0.00 0.00 174.74 173.45 1bsu s TYR 72 N -1.46 2.86 0.50 1.40 6.14 0.44 -4.69 117.35 122.55 1bsu s TYR 72 Ca 0.10 -0.11 0.08 0.00 0.64 0.00 0.00 57.07 57.78 1bsu s TYR 72 Cb -0.09 -1.44 0.04 0.00 0.42 0.00 0.00 41.96 40.90 1bsu s TYR 72 CO 0.05 0.49 0.57 -1.25 0.64 0.00 0.00 175.55 176.05 1bsu s PRO 73 N -2.59 2.45 0.30 4.97 0.04 -1.26 -0.27 135.00 138.63 1bsu s PRO 73 Ca 0.26 -1.62 -0.00 0.00 0.04 0.00 0.00 61.00 59.67 1bsu s PRO 73 Cb -0.10 -2.49 0.50 0.00 0.04 0.00 0.00 34.50 32.45 1bsu s PRO 73 CO 0.17 -0.54 1.93 -0.44 0.04 0.00 0.00 177.00 178.16 1bsu h ASP 74 N 0.59 0.92 -3.36 6.66 3.32 -1.82 -3.37 116.42 119.36 1bsu h ASP 74 Ca -0.36 -0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.30 1bsu h ASP 74 Cb 1.28 -0.21 -0.37 0.00 0.22 0.00 0.00 39.33 40.26 1bsu h ASP 74 CO 0.49 0.62 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.52 1bsu s PHE 75 N -5.92 0.41 -0.22 4.55 0.08 -0.95 -4.08 117.98 111.85 1bsu s PHE 75 Ca -0.12 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 56.86 1bsu s PHE 75 Cb 0.19 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 1bsu s PHE 75 CO 0.80 -0.22 0.04 0.99 -0.10 0.00 0.00 175.22 176.73 1bsu s THR 76 N 1.66 4.29 -0.09 0.64 2.01 -0.18 -0.94 115.64 123.04 1bsu s THR 76 Ca -0.01 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1bsu s THR 76 Cb -0.13 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1bsu s THR 76 CO -0.03 0.39 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.36 1bsu s LEU 77 N 1.15 2.54 -0.17 4.42 1.02 0.19 -1.85 118.68 125.98 1bsu s LEU 77 Ca 0.04 -0.34 -0.28 0.00 0.02 0.00 0.00 54.13 53.57 1bsu s LEU 77 Cb -0.14 -1.53 0.09 0.00 0.02 0.00 0.00 46.19 44.63 1bsu s LEU 77 CO 0.03 0.24 0.83 -0.72 0.02 0.00 0.00 176.35 176.74 1bsu s TYR 78 N -0.11 -0.59 0.09 0.29 1.13 -0.93 0.38 117.35 117.60 1bsu s TYR 78 Ca -0.03 1.20 -0.21 0.00 -1.41 0.00 0.00 57.07 56.61 1bsu s TYR 78 Cb -0.14 0.38 -0.07 0.00 -1.10 0.00 0.00 41.96 41.03 1bsu s TYR 78 CO 0.04 -0.43 0.64 0.15 -2.51 0.00 0.00 175.55 173.44 1bsu s LYS 79 N -0.57 4.33 0.09 -3.49 1.02 -1.26 -0.22 119.74 119.64 1bsu s LYS 79 Ca -0.04 0.87 0.07 0.00 0.02 0.00 0.00 55.97 56.90 1bsu s LYS 79 Cb -0.02 -3.27 0.38 0.00 -0.52 0.00 0.00 37.83 34.40 1bsu s LYS 79 CO 0.03 0.56 1.22 -0.35 -0.92 0.00 0.00 175.35 175.90 1bsu n PRO 80 N 1.89 0.04 0.11 -1.68 -0.04 -1.26 -1.30 135.00 132.76 1bsu n PRO 80 Ca -0.08 0.51 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1bsu n PRO 80 Cb 0.50 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1bsu n PRO 80 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bsu h SER 81 N 0.00 0.00 -2.28 3.54 4.64 -1.95 -3.40 113.55 114.10 1bsu h SER 81 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1bsu h SER 81 Cb 0.03 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.73 1bsu h SER 81 CO 0.00 0.31 -0.95 -0.62 -0.87 0.00 0.00 176.83 174.70 1bsu n GLU 82 N -2.94 0.77 0.00 4.77 1.02 -0.42 -4.95 120.64 118.89 1bsu n GLU 82 Ca -0.02 -3.47 0.15 0.00 -0.02 0.00 0.00 57.16 53.80 1bsu n GLU 82 Cb 0.69 -1.62 0.82 0.00 -0.02 0.00 0.00 31.44 31.31 1bsu n GLU 82 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1bsu n PRO 83 N 2.02 0.63 -0.64 3.49 -0.04 -1.21 -3.20 135.00 136.05 1bsu n PRO 83 Ca 0.26 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1bsu n PRO 83 Cb 0.48 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.81 1bsu n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bsu n ASN 84 N -1.18 4.87 -2.64 3.54 3.02 -1.26 -4.20 115.26 117.41 1bsu n ASN 84 Ca 0.18 -2.47 -0.10 0.00 -0.03 0.00 0.00 54.58 52.15 1bsu n ASN 84 Cb 0.19 -0.59 0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1bsu n ASN 84 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1bsu n LYS 85 N 1.13 1.84 -1.86 3.52 -0.00 -1.19 -4.69 118.16 116.90 1bsu n LYS 85 Ca 0.26 -3.58 -0.35 0.00 -0.00 0.00 0.00 58.31 54.65 1bsu n LYS 85 Cb 0.92 -1.58 0.05 0.00 -0.00 0.00 0.00 35.03 34.41 1bsu n LYS 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1bsu s LYS 86 N -3.43 2.79 -0.05 -1.58 1.02 -0.38 -4.61 119.74 113.50 1bsu s LYS 86 Ca 0.32 1.71 0.04 0.00 0.02 0.00 0.00 55.97 58.06 1bsu s LYS 86 Cb 0.40 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.77 1bsu s LYS 86 CO -0.02 -1.32 -0.17 0.42 -0.92 0.00 0.00 175.35 173.35 1bsu s ILE 87 N -1.84 2.79 -0.11 2.17 1.01 0.16 -0.50 121.20 124.88 1bsu s ILE 87 Ca 0.74 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1bsu s ILE 87 Cb -0.27 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1bsu s ILE 87 CO 0.37 0.58 -0.18 0.00 0.00 0.00 0.00 174.94 175.71 1bsu s ALA 88 N -0.59 2.41 -0.10 9.38 0.00 -0.49 0.54 121.76 132.91 1bsu s ALA 88 Ca 0.09 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1bsu s ALA 88 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1bsu s ALA 88 CO 0.01 0.28 -0.17 0.42 0.00 0.00 0.00 175.76 176.29 1bsu s ILE 89 N 0.31 1.60 -0.01 0.00 1.01 -0.12 0.17 121.20 124.16 1bsu s ILE 89 Ca -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.82 1bsu s ILE 89 Cb -0.17 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1bsu s ILE 89 CO 0.07 0.46 -0.13 -0.62 0.00 0.00 0.00 174.94 174.72 1bsu s ASP 90 N 0.68 1.50 -0.22 3.58 2.15 0.13 -2.25 116.67 122.24 1bsu s ASP 90 Ca -0.13 -0.24 -0.16 0.00 0.43 0.00 0.00 52.55 52.45 1bsu s ASP 90 Cb -0.16 -0.16 -0.04 0.00 -0.30 0.00 0.00 42.92 42.26 1bsu s ASP 90 CO 0.03 0.15 0.43 -0.63 -0.17 0.00 0.00 175.17 174.98 1bsu s ILE 91 N -0.33 5.16 0.01 4.11 1.01 -1.26 -1.23 121.20 128.67 1bsu s ILE 91 Ca 0.05 0.74 0.08 0.00 0.00 0.00 0.00 60.65 61.52 1bsu s ILE 91 Cb -0.05 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1bsu s ILE 91 CO -0.00 0.20 -0.26 -0.54 0.00 0.00 0.00 174.94 174.34 1bsu s LYS 92 N 1.61 1.99 0.04 2.79 -0.14 -0.21 -4.96 119.74 120.87 1bsu s LYS 92 Ca 0.19 -1.00 0.03 0.00 -1.36 0.00 0.00 55.97 53.84 1bsu s LYS 92 Cb -0.15 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 1bsu s LYS 92 CO 0.09 0.54 -0.10 0.99 -0.76 0.00 0.00 175.35 176.10 1bsu s THR 93 N -0.69 0.79 0.28 2.17 2.01 -1.26 -0.61 115.64 118.32 1bsu s THR 93 Ca 0.11 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1bsu s THR 93 Cb -0.10 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 1bsu s THR 93 CO 0.00 -0.15 0.47 0.28 -0.69 0.00 0.00 174.62 174.53 1bsu s THR 94 N -0.99 0.00 0.25 -0.82 -1.32 -1.07 -4.86 115.64 106.84 1bsu s THR 94 Ca -0.03 -1.49 0.03 0.00 -1.21 0.00 0.00 61.69 58.99 1bsu s THR 94 Cb -0.08 -2.40 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1bsu s THR 94 CO 0.01 0.00 0.04 -0.72 -2.21 0.00 0.00 174.62 171.74 1bsu s TYR 95 N -3.64 1.61 0.01 9.09 -0.85 -1.26 -2.87 117.35 119.44 1bsu s TYR 95 Ca 0.26 -1.02 -0.04 0.00 -0.52 0.00 0.00 57.07 55.75 1bsu s TYR 95 Cb -0.00 -0.96 -0.01 0.00 0.38 0.00 0.00 41.96 41.37 1bsu s TYR 95 CO 0.13 -0.13 0.07 -0.08 -1.52 0.00 0.00 175.55 174.01 1bsu s THR 96 N -3.52 0.09 -0.84 -3.49 -1.32 -0.21 -4.88 115.64 101.47 1bsu s THR 96 Ca 0.33 -0.74 0.24 0.00 -1.21 0.00 0.00 61.69 60.31 1bsu s THR 96 Cb 0.07 -0.34 -0.07 0.00 -1.51 0.00 0.00 72.50 70.65 1bsu s THR 96 CO 0.11 -0.40 1.19 0.59 -2.21 0.00 0.00 174.62 173.90 1bsu n ASN 97 N 1.61 0.64 -3.65 8.08 5.03 -1.26 -1.19 115.26 124.52 1bsu n ASN 97 Ca -0.23 -0.33 -0.07 0.00 0.87 0.00 0.00 54.58 54.83 1bsu n ASN 97 Cb 0.56 0.55 -0.07 0.00 -1.02 0.00 0.00 39.78 39.79 1bsu n ASN 97 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1bsu s LYS 98 N -3.08 0.63 0.35 3.52 1.02 -1.26 -4.81 119.74 116.11 1bsu s LYS 98 Ca 0.08 1.20 -0.27 0.00 0.02 0.00 0.00 55.97 57.00 1bsu s LYS 98 Cb 0.16 0.24 -0.12 0.00 -0.52 0.00 0.00 37.83 37.59 1bsu s LYS 98 CO 0.76 -0.16 1.20 0.39 -0.92 0.00 0.00 175.35 176.63 1bsu n GLU 99 N 4.53 1.87 0.00 1.68 -0.58 -1.26 -2.95 120.64 123.93 1bsu n GLU 99 Ca -0.19 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1bsu n GLU 99 Cb 0.57 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1bsu n GLU 99 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1bsu n ASN 100 N 0.75 0.00 -4.79 1.62 6.94 -1.26 -5.08 115.26 113.44 1bsu n ASN 100 Ca 0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.32 1bsu n ASN 100 Cb 0.36 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.86 1bsu n ASN 100 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1bsu s GLU 101 N -0.82 2.38 0.40 -3.83 4.04 -1.15 -4.92 118.70 114.81 1bsu s GLU 101 Ca 0.00 0.93 -0.25 0.00 0.04 0.00 0.00 54.97 55.68 1bsu s GLU 101 Cb 0.00 -1.93 -0.08 0.00 0.02 0.00 0.00 34.13 32.14 1bsu s GLU 101 CO 0.00 -1.48 1.21 -1.59 -1.84 0.00 0.00 175.26 171.56 1bsu s LYS 102 N -5.02 4.02 0.23 -4.83 0.00 -1.26 -4.65 119.74 108.22 1bsu s LYS 102 Ca 0.60 1.95 0.04 0.00 0.00 0.00 0.00 55.97 58.55 1bsu s LYS 102 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 37.83 34.92 1bsu s LYS 102 CO 0.55 -0.38 -0.01 0.96 0.00 0.00 0.00 175.35 176.47 1bsu s ILE 103 N -1.36 1.05 -0.04 3.79 -4.36 0.28 -4.90 121.20 115.66 1bsu s ILE 103 Ca 0.57 -2.04 -0.19 0.00 -0.26 0.00 0.00 60.65 58.74 1bsu s ILE 103 Cb -0.33 -2.32 0.04 0.00 1.25 0.00 0.00 42.46 41.10 1bsu s ILE 103 CO 0.42 -0.35 0.41 -1.59 0.24 0.00 0.00 174.94 174.07 1bsu s LYS 104 N -3.85 0.74 0.33 0.37 -2.85 -1.26 -2.19 119.74 111.02 1bsu s LYS 104 Ca 0.28 -0.01 0.10 0.00 -1.00 0.00 0.00 55.97 55.34 1bsu s LYS 104 Cb 0.05 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 36.10 1bsu s LYS 104 CO 0.08 -0.20 -0.11 -0.06 0.10 0.00 0.00 175.35 175.15 1bsu s PHE 105 N -1.13 2.35 -0.11 1.78 0.40 -1.26 -4.85 117.98 115.16 1bsu s PHE 105 Ca -0.12 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.69 1bsu s PHE 105 Cb -0.04 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1bsu s PHE 105 CO 0.05 0.59 0.07 0.95 0.70 0.00 0.00 175.22 177.59 1bsu s THR 106 N -2.61 4.92 -0.16 0.64 -4.23 -1.26 -1.31 115.64 111.62 1bsu s THR 106 Ca 0.32 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.98 1bsu s THR 106 Cb 0.01 -3.12 0.38 0.00 1.34 0.00 0.00 72.50 71.11 1bsu s THR 106 CO 0.16 0.60 1.25 0.18 -0.54 0.00 0.00 174.62 176.27 1bsu n LEU 107 N 2.18 2.91 0.00 4.79 4.77 0.18 -4.90 117.00 126.93 1bsu n LEU 107 Ca -0.19 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.59 1bsu n LEU 107 Cb 0.54 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1bsu n LEU 107 CO 0.30 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1bsu n GLY 108 N -1.14 2.08 3.76 -0.72 0.00 -1.26 -4.75 105.19 103.17 1bsu n GLY 108 Ca 0.19 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1bsu n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bsu s GLY 109 N 0.00 2.21 -0.01 -0.02 0.00 -1.26 0.19 107.32 108.43 1bsu s GLY 109 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 44.72 45.40 1bsu s GLY 109 CO 0.00 1.00 1.10 1.58 0.00 0.00 0.00 173.10 176.78 1bsu n TYR 110 N -2.47 0.18 -0.22 1.90 0.18 -1.00 -4.57 117.16 111.16 1bsu n TYR 110 Ca 0.11 -0.52 0.00 0.00 1.88 0.00 0.00 57.90 59.37 1bsu n TYR 110 Cb 0.52 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1bsu n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1bsu n THR 111 N -0.16 0.10 0.00 -3.48 -2.24 -1.26 -4.67 114.28 102.57 1bsu n THR 111 Ca 0.05 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1bsu n THR 111 Cb 0.34 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1bsu n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bsu n SER 112 N -0.05 0.00 -0.13 3.42 3.41 -1.26 -4.62 113.62 114.38 1bsu n SER 112 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 58.87 58.88 1bsu n SER 112 Cb 0.09 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.76 1bsu n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1bsu h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.50 0.20 116.94 117.82 1bsu h PHE 113 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 1bsu h PHE 113 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 1bsu h PHE 113 CO 0.00 0.00 -0.10 -0.84 -2.00 0.00 0.00 178.31 175.37 1bsu h ILE 114 N 0.00 0.19 0.00 0.88 3.07 -1.88 -3.29 117.51 116.48 1bsu h ILE 114 Ca 0.38 -1.14 -0.12 0.00 1.55 0.00 0.00 64.86 65.54 1bsu h ILE 114 Cb 1.62 1.97 -0.02 0.00 -0.27 0.00 0.00 36.82 40.12 1bsu h ILE 114 CO -0.00 0.10 -1.88 0.54 -1.05 0.00 0.00 178.15 175.86 1bsu n ARG 115 N -3.14 0.92 -3.69 0.16 1.74 0.29 -4.85 116.66 108.09 1bsu n ARG 115 Ca 0.03 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 1bsu n ARG 115 Cb 0.52 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.41 1bsu n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1bsu s ASN 116 N -4.31 3.70 0.35 0.55 3.84 0.45 -5.02 114.94 114.49 1bsu s ASN 116 Ca -0.07 -1.40 0.00 0.00 0.21 0.00 0.00 52.86 51.61 1bsu s ASN 116 Cb 0.08 -0.69 0.00 0.00 -0.55 0.00 0.00 41.25 40.09 1bsu s ASN 116 CO 0.66 -0.40 0.58 -3.20 -2.79 0.00 0.00 177.10 171.95 1bsu n ASN 117 N 4.98 0.00 -0.14 -4.21 5.15 -1.25 -0.15 115.26 119.65 1bsu n ASN 117 Ca -0.04 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1bsu n ASN 117 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1bsu n ASN 117 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bsu n THR 118 N -1.58 0.13 -2.82 -0.44 -2.24 -1.26 -0.00 114.28 106.06 1bsu n THR 118 Ca 0.00 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1bsu n THR 118 Cb 0.58 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 1bsu n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1bsu s LYS 119 N -0.16 4.17 -1.40 -0.78 2.20 0.79 -4.21 119.74 120.36 1bsu s LYS 119 Ca 0.01 1.01 -0.08 0.00 -0.36 0.00 0.00 55.97 56.55 1bsu s LYS 119 Cb 0.01 -3.66 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1bsu s LYS 119 CO 0.00 -0.59 1.00 0.09 -0.36 0.00 0.00 175.35 175.49 1bsu n ASN 120 N 6.17 -4.35 -3.98 1.43 4.13 -1.26 -1.79 115.26 115.60 1bsu n ASN 120 Ca 0.07 -0.69 -0.10 0.00 1.68 0.00 0.00 54.58 55.54 1bsu n ASN 120 Cb 0.47 -4.41 -0.11 0.00 -1.54 0.00 0.00 39.78 34.18 1bsu n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1bsu s ILE 121 N -3.38 0.19 0.20 2.41 2.07 -1.26 -0.42 121.20 121.01 1bsu s ILE 121 Ca 0.45 -0.83 -0.07 0.00 -1.41 0.00 0.00 60.65 58.79 1bsu s ILE 121 Cb -0.21 -0.31 0.06 0.00 0.13 0.00 0.00 42.46 42.12 1bsu s ILE 121 CO 0.78 -0.41 1.64 0.58 -1.91 0.00 0.00 174.94 175.63 1bsu h VAL 122 N 4.68 1.26 -3.73 4.00 2.07 -0.99 -3.45 116.25 120.09 1bsu h VAL 122 Ca -0.32 -1.22 -0.41 0.00 0.82 0.00 0.00 66.70 65.57 1bsu h VAL 122 Cb 1.21 0.96 -0.19 0.00 -1.52 0.00 0.00 31.29 31.74 1bsu h VAL 122 CO 0.42 0.43 -0.76 -0.31 0.02 0.00 0.00 177.57 177.37 1bsu s TYR 123 N -4.86 1.31 0.27 1.57 2.02 -1.26 -5.11 117.35 111.29 1bsu s TYR 123 Ca -0.11 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 1bsu s TYR 123 Cb 0.13 -0.70 -0.14 0.00 -0.40 0.00 0.00 41.96 40.85 1bsu s TYR 123 CO 0.85 0.10 1.05 -2.30 -1.57 0.00 0.00 175.55 173.68 1bsu n PRO 124 N 0.80 1.38 -0.31 -1.71 -0.02 -1.26 -4.82 135.00 129.06 1bsu n PRO 124 Ca -0.18 0.48 0.34 0.00 -2.02 0.00 0.00 63.50 62.13 1bsu n PRO 124 Cb 0.56 -1.89 0.74 0.00 -0.02 0.00 0.00 33.50 32.89 1bsu n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1bsu h PHE 125 N 2.27 0.03 0.00 6.00 3.57 -0.71 -1.37 116.94 126.72 1bsu h PHE 125 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1bsu h PHE 125 Cb 1.34 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1bsu h PHE 125 CO 0.49 0.00 0.00 0.38 -2.23 0.00 0.00 178.31 176.95 1bsu h ASP 126 N 0.02 0.00 -0.06 0.41 3.04 -1.88 -3.05 116.42 114.89 1bsu h ASP 126 Ca 0.55 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.34 1bsu h ASP 126 Cb 2.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.48 1bsu h ASP 126 CO -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.18 1bsu n GLN 127 N -2.62 1.35 -4.12 4.15 6.02 -0.52 -4.77 117.38 116.87 1bsu n GLN 127 Ca 0.03 -0.52 -0.35 0.00 -0.01 0.00 0.00 57.00 56.15 1bsu n GLN 127 Cb 0.37 -1.38 -0.11 0.00 1.02 0.00 0.00 30.24 30.14 1bsu n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1bsu s TYR 128 N -1.92 3.12 -0.19 1.08 2.02 -1.16 -1.25 117.35 119.05 1bsu s TYR 128 Ca 0.33 -0.19 0.22 0.00 -0.37 0.00 0.00 57.07 57.06 1bsu s TYR 128 Cb 0.17 -2.06 -0.23 0.00 -0.40 0.00 0.00 41.96 39.44 1bsu s TYR 128 CO 0.27 -0.03 0.68 0.44 -1.57 0.00 0.00 175.55 175.33 1bsu n ILE 129 N 3.82 0.14 -3.74 2.71 -5.35 0.35 -4.90 119.36 112.40 1bsu n ILE 129 Ca -0.17 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 61.73 1bsu n ILE 129 Cb 0.52 0.02 -0.09 0.00 -1.74 0.00 0.00 39.64 38.35 1bsu n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bsu s ALA 130 N -3.42 -0.89 -0.25 -1.28 0.00 -1.24 -5.07 121.76 109.60 1bsu s ALA 130 Ca -0.04 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 1bsu s ALA 130 Cb 0.13 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1bsu s ALA 130 CO 0.87 -0.24 0.01 -1.01 0.00 0.00 0.00 175.76 175.39 1bsu s HIS 131 N -0.89 2.09 0.04 0.00 3.76 -1.26 -1.39 115.29 117.64 1bsu s HIS 131 Ca -0.10 -1.69 -0.00 0.00 -0.15 0.00 0.00 55.06 53.12 1bsu s HIS 131 Cb -0.04 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1bsu s HIS 131 CO 0.04 -0.78 0.17 -1.58 -0.85 0.00 0.00 174.74 171.73 1bsu s TRP 132 N 1.49 3.45 -0.20 1.40 0.51 0.13 -0.88 118.94 124.84 1bsu s TRP 132 Ca 0.00 0.25 0.01 0.00 -2.12 0.00 0.00 56.10 54.25 1bsu s TRP 132 Cb -0.18 -1.76 0.03 0.00 -0.81 0.00 0.00 33.47 30.75 1bsu s TRP 132 CO -0.11 0.59 -0.17 0.42 -0.51 0.00 0.00 176.95 177.17 1bsu s ILE 133 N -1.40 2.11 -0.53 2.03 -1.09 0.52 -0.69 121.20 122.15 1bsu s ILE 133 Ca 0.30 -1.12 -0.18 0.00 -2.23 0.00 0.00 60.65 57.42 1bsu s ILE 133 Cb -0.13 -1.98 0.08 0.00 -1.58 0.00 0.00 42.46 38.85 1bsu s ILE 133 CO 0.23 0.38 0.59 -0.63 -1.23 0.00 0.00 174.94 174.28 1bsu s ILE 134 N 1.24 4.97 -0.11 2.92 1.01 -0.37 -2.09 121.20 128.78 1bsu s ILE 134 Ca 0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 1bsu s ILE 134 Cb -0.15 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1bsu s ILE 134 CO -0.11 -0.86 0.29 -0.83 0.00 0.00 0.00 174.94 173.44 1bsu s GLY 135 N 3.04 2.27 -0.06 6.18 0.00 -0.77 -1.04 107.32 116.95 1bsu s GLY 135 Ca 0.10 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1bsu s GLY 135 CO 0.08 0.19 -0.17 -0.19 0.00 0.00 0.00 173.10 173.00 1bsu s TYR 136 N -0.26 2.62 -0.09 1.90 2.02 0.22 -1.75 117.35 122.02 1bsu s TYR 136 Ca 0.18 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1bsu s TYR 136 Cb -0.14 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1bsu s TYR 136 CO 0.06 0.04 -0.09 0.08 -1.57 0.00 0.00 175.55 174.08 1bsu s VAL 137 N -0.49 1.02 0.04 0.71 1.01 0.31 -2.58 120.40 120.42 1bsu s VAL 137 Ca 0.06 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1bsu s VAL 137 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1bsu s VAL 137 CO 0.01 0.35 -0.23 -0.72 0.00 0.00 0.00 175.10 174.51 1bsu s TYR 138 N 1.23 2.02 -0.32 5.22 -0.85 -1.14 -0.41 117.35 123.11 1bsu s TYR 138 Ca -0.04 -0.39 -0.18 0.00 -0.52 0.00 0.00 57.07 55.93 1bsu s TYR 138 Cb -0.14 -1.21 -0.01 0.00 0.38 0.00 0.00 41.96 40.98 1bsu s TYR 138 CO -0.03 0.10 0.54 0.99 -1.52 0.00 0.00 175.55 175.63 1bsu s THR 139 N -0.79 5.01 0.37 -3.49 2.01 -0.07 -1.05 115.64 117.63 1bsu s THR 139 Ca 0.09 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.36 1bsu s THR 139 Cb -0.09 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1bsu s THR 139 CO 0.02 -0.15 1.41 0.00 -0.69 0.00 0.00 174.62 175.21 1bsu s ARG 140 N 2.44 4.14 0.00 4.92 3.03 -0.33 -0.81 118.95 132.34 1bsu s ARG 140 Ca 0.21 2.42 0.00 0.00 2.03 0.00 0.00 55.73 60.39 1bsu s ARG 140 Cb -0.15 -2.96 0.00 0.00 -1.03 0.00 0.00 34.95 30.80 1bsu s ARG 140 CO 0.12 -0.44 0.00 0.28 -1.13 0.00 0.00 175.30 174.13 1bsu n VAL 141 N 0.49 0.00 -1.24 4.99 0.31 -1.24 -4.73 118.33 116.91 1bsu n VAL 141 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1bsu n VAL 141 Cb 0.40 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.31 1bsu n VAL 141 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1bsu n LYS 149 N 0.00 -2.27 -3.53 5.55 -0.00 -1.26 -4.74 118.16 111.91 1bsu n LYS 149 Ca 0.00 1.80 -0.27 0.00 -0.00 0.00 0.00 58.31 59.84 1bsu n LYS 149 Cb 0.00 -2.58 -0.03 0.00 -0.00 0.00 0.00 35.03 32.43 1bsu n LYS 149 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bsu s THR 150 N -4.76 5.13 0.26 0.58 -4.23 -1.26 -4.42 115.64 106.94 1bsu s THR 150 Ca 0.00 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1bsu s THR 150 Cb 0.00 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 1bsu s THR 150 CO 0.00 -0.29 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.40 1bsu s TYR 151 N -2.02 1.87 0.19 3.99 1.51 -0.05 -4.95 117.35 117.90 1bsu s TYR 151 Ca 0.40 -0.67 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1bsu s TYR 151 Cb -0.11 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1bsu s TYR 151 CO 0.30 0.29 0.16 -0.80 -1.11 0.00 0.00 175.55 174.40 1bsu s ASN 152 N -3.40 5.56 0.36 2.29 0.01 -1.26 -0.61 114.94 117.90 1bsu s ASN 152 Ca 0.28 -0.16 0.17 0.00 -0.71 0.00 0.00 52.86 52.44 1bsu s ASN 152 Cb 0.03 -1.45 1.09 0.00 0.41 0.00 0.00 41.25 41.33 1bsu s ASN 152 CO 0.10 0.03 1.70 0.40 -1.51 0.00 0.00 177.10 177.83 1bsu h ILE 153 N 1.84 0.39 0.00 0.60 2.04 -1.97 0.18 117.51 120.59 1bsu h ILE 153 Ca -0.48 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1bsu h ILE 153 Cb 1.21 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1bsu h ILE 153 CO 0.62 0.07 0.00 0.59 0.00 0.00 0.00 178.15 179.43 1bsu n ASN 154 N -4.85 0.00 0.00 1.72 4.13 -1.26 -2.37 115.26 112.64 1bsu n ASN 154 Ca 0.30 -0.75 0.00 0.00 1.68 0.00 0.00 54.58 55.80 1bsu n ASN 154 Cb 0.96 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.20 1bsu n ASN 154 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bsu n GLU 155 N -0.66 1.25 -0.39 3.52 1.02 0.62 -4.78 120.64 121.22 1bsu n GLU 155 Ca 0.03 -1.02 0.32 0.00 -0.02 0.00 0.00 57.16 56.47 1bsu n GLU 155 Cb 0.02 -0.95 0.58 0.00 -0.02 0.00 0.00 31.44 31.07 1bsu n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bsu h LEU 156 N 0.00 0.34 -0.14 -4.62 3.38 -1.57 0.41 115.31 113.11 1bsu h LEU 156 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bsu h LEU 156 Cb 0.35 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1bsu h LEU 156 CO 0.00 -0.17 0.00 0.59 0.09 0.00 0.00 178.44 178.95 1bsu n ASN 157 N -4.84 0.16 -0.01 -0.43 4.13 -1.26 -3.52 115.26 109.49 1bsu n ASN 157 Ca 0.35 0.53 0.06 0.00 1.68 0.00 0.00 54.58 57.20 1bsu n ASN 157 Cb 1.24 -0.57 -0.09 0.00 -1.54 0.00 0.00 39.78 38.82 1bsu n ASN 157 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bsu n GLU 158 N -1.67 0.68 -1.75 3.52 1.02 0.14 -5.00 120.64 117.58 1bsu n GLU 158 Ca 0.04 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1bsu n GLU 158 Cb 0.21 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1bsu n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bsu s ILE 159 N -2.78 2.25 0.17 -3.67 1.01 -1.20 -4.94 121.20 112.03 1bsu s ILE 159 Ca -0.04 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1bsu s ILE 159 Cb 0.08 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.42 1bsu s ILE 159 CO 0.52 0.00 1.11 -2.16 0.00 0.00 0.00 174.94 174.41 1bsu s PRO 160 N 1.63 4.57 0.37 2.79 0.04 -1.26 -5.02 135.00 138.13 1bsu s PRO 160 Ca 0.76 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 1bsu s PRO 160 Cb -0.48 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.68 1bsu s PRO 160 CO 0.33 0.04 0.93 -1.59 0.04 0.00 0.00 177.00 176.75 1bsu s LYS 161 N -0.26 4.39 -0.17 4.56 -2.85 -1.26 -4.76 119.74 119.39 1bsu s LYS 161 Ca 0.50 1.19 0.05 0.00 -1.00 0.00 0.00 55.97 56.71 1bsu s LYS 161 Cb -0.30 -2.51 0.39 0.00 -2.06 0.00 0.00 37.83 33.36 1bsu s LYS 161 CO 0.35 0.14 1.28 -0.35 0.10 0.00 0.00 175.35 176.87 1bsu n PRO 162 N -0.01 2.43 -3.52 1.78 -0.04 -1.26 -4.88 135.00 129.49 1bsu n PRO 162 Ca 0.04 -1.59 -0.17 0.00 -0.04 0.00 0.00 63.50 61.74 1bsu n PRO 162 Cb 0.52 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1bsu n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bsu s TYR 163 N -1.81 -0.63 -0.17 0.54 -0.85 -1.26 -3.73 117.35 109.44 1bsu s TYR 163 Ca 0.29 0.99 0.04 0.00 -0.52 0.00 0.00 57.07 57.87 1bsu s TYR 163 Cb 0.23 0.42 -0.22 0.00 0.38 0.00 0.00 41.96 42.76 1bsu s TYR 163 CO 0.07 -0.63 0.17 0.36 -1.52 0.00 0.00 175.55 173.99 1bsu n LYS 164 N 0.75 0.69 -4.01 -3.49 -0.00 0.01 -4.89 118.16 107.22 1bsu n LYS 164 Ca -0.19 0.18 -0.08 0.00 -0.00 0.00 0.00 58.31 58.22 1bsu n LYS 164 Cb 0.58 -1.62 -0.10 0.00 -0.00 0.00 0.00 35.03 33.88 1bsu n LYS 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1bsu s GLY 165 N -5.79 0.31 -0.07 2.58 0.00 -1.26 -4.95 107.32 98.15 1bsu s GLY 165 Ca -0.21 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 1bsu s GLY 165 CO 0.74 -0.92 0.13 0.14 0.00 0.00 0.00 173.10 173.18 1bsu s VAL 166 N -2.74 -0.20 0.09 1.40 1.01 -1.26 -0.89 120.40 117.81 1bsu s VAL 166 Ca -0.04 0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.38 1bsu s VAL 166 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1bsu s VAL 166 CO -0.06 0.15 -0.14 -0.54 0.00 0.00 0.00 175.10 174.52 1bsu s LYS 167 N 2.17 2.03 0.04 2.72 1.02 0.46 -4.94 119.74 123.24 1bsu s LYS 167 Ca 0.03 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1bsu s LYS 167 Cb -0.12 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1bsu s LYS 167 CO -0.05 0.51 -0.07 0.54 -0.92 0.00 0.00 175.35 175.36 1bsu s VAL 168 N -1.11 0.50 0.13 3.17 0.11 -1.26 -0.53 120.40 121.41 1bsu s VAL 168 Ca 0.18 -1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 58.04 1bsu s VAL 168 Cb -0.11 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1bsu s VAL 168 CO 0.10 -0.42 0.27 0.72 -3.33 0.00 0.00 175.10 172.44 1bsu s PHE 169 N -1.48 0.22 -0.05 1.54 -0.12 -0.71 -4.97 117.98 112.40 1bsu s PHE 169 Ca -0.10 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1bsu s PHE 169 Cb -0.09 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 1bsu s PHE 169 CO -0.00 -0.65 -0.11 -1.17 -0.05 0.00 0.00 175.22 173.24 1bsu s LEU 170 N -2.91 1.62 0.15 -1.99 0.20 -1.26 -1.84 118.68 112.66 1bsu s LEU 170 Ca 0.10 -0.25 -0.20 0.00 0.69 0.00 0.00 54.13 54.47 1bsu s LEU 170 Cb 0.04 -0.72 0.05 0.00 -0.43 0.00 0.00 46.19 45.13 1bsu s LEU 170 CO -0.06 0.03 0.53 -1.58 -0.29 0.00 0.00 176.35 174.98 1bsu s GLN 171 N 0.61 1.23 0.28 1.98 2.00 -0.89 -4.93 119.66 119.93 1bsu s GLN 171 Ca -0.12 -0.58 -0.29 0.00 -2.00 0.00 0.00 55.36 52.37 1bsu s GLN 171 Cb -0.14 0.55 -0.09 0.00 0.80 0.00 0.00 33.01 34.12 1bsu s GLN 171 CO 0.03 -0.52 1.02 -0.51 -0.50 0.00 0.00 175.29 174.80 1bsu s ASP 172 N -2.78 7.39 0.15 6.67 1.11 -1.26 -0.36 116.67 127.59 1bsu s ASP 172 Ca 0.02 2.09 -0.20 0.00 0.18 0.00 0.00 52.55 54.64 1bsu s ASP 172 Cb -0.00 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.41 1bsu s ASP 172 CO -0.12 -0.04 1.66 0.50 1.18 0.00 0.00 175.17 178.35 1bsu h LYS 173 N 3.79 -0.12 0.00 8.23 3.64 -1.34 -2.30 116.57 128.47 1bsu h LYS 173 Ca -0.46 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1bsu h LYS 173 Cb 1.21 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1bsu h LYS 173 CO 0.67 -0.08 -0.00 0.11 -2.27 0.00 0.00 179.45 177.88 1bsu h TRP 174 N -0.12 0.00 -0.14 1.91 5.08 -1.94 -1.09 115.95 119.65 1bsu h TRP 174 Ca 0.14 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.96 1bsu h TRP 174 Cb 0.33 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.48 1bsu h TRP 174 CO -0.33 0.00 -0.56 0.28 -1.28 0.00 0.00 178.44 176.55 1bsu h VAL 175 N 0.00 1.34 -0.02 0.12 2.07 -1.81 -3.18 116.25 114.77 1bsu h VAL 175 Ca -0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1bsu h VAL 175 Cb 0.00 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1bsu h VAL 175 CO 0.00 0.56 -0.37 2.30 0.02 0.00 0.00 177.57 180.08 1bsu n ILE 176 N -3.93 0.00 -1.98 4.57 -5.35 -0.95 -3.45 119.36 108.27 1bsu n ILE 176 Ca -0.03 -0.31 -0.41 0.00 -0.27 0.00 0.00 62.75 61.73 1bsu n ILE 176 Cb 0.60 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.76 1bsu n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bsu s ALA 177 N -2.23 3.57 0.00 -1.28 0.00 -0.46 -0.68 121.76 120.68 1bsu s ALA 177 Ca 0.18 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1bsu s ALA 177 Cb 0.17 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1bsu s ALA 177 CO 0.49 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1bsu n GLY 178 N 1.09 2.42 0.35 0.00 0.00 0.39 -4.42 105.19 105.03 1bsu n GLY 178 Ca 0.02 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.97 1bsu n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bsu n ASP 179 N -1.80 2.12 -4.33 1.61 5.75 -1.26 -4.78 116.55 113.85 1bsu n ASP 179 Ca 0.00 -1.66 -0.31 0.00 -0.01 0.00 0.00 54.79 52.81 1bsu n ASP 179 Cb 0.00 -0.08 -0.16 0.00 -1.03 0.00 0.00 41.12 39.86 1bsu n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1bsu s LEU 180 N -0.81 2.13 0.46 -2.12 1.43 -1.26 -4.59 118.68 113.92 1bsu s LEU 180 Ca 0.12 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1bsu s LEU 180 Cb 0.07 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 1bsu s LEU 180 CO 0.10 0.32 1.28 0.00 0.23 0.00 0.00 176.35 178.28 1bsu n ALA 181 N 2.43 1.34 0.14 4.21 0.00 -1.26 -1.94 120.51 125.43 1bsu n ALA 181 Ca -0.16 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.58 1bsu n ALA 181 Cb 0.51 -2.28 0.05 0.00 0.00 0.00 0.00 19.45 17.73 1bsu n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bsu h GLY 182 N 1.86 0.00 -4.28 0.00 0.00 0.18 -3.39 103.07 97.43 1bsu h GLY 182 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1bsu h GLY 182 CO 0.59 0.00 0.01 -1.35 0.00 0.00 0.00 176.54 175.79 1bsu s SER 183 N -5.86 -0.50 0.00 0.19 1.04 -1.19 -4.88 113.70 102.50 1bsu s SER 183 Ca 0.02 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1bsu s SER 183 Cb 0.08 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1bsu s SER 183 CO 0.75 -0.51 0.03 0.61 0.98 0.00 0.00 173.24 175.09 1bsu n GLY 184 N 1.22 1.37 0.37 7.32 0.00 -1.26 -2.99 105.19 111.22 1bsu n GLY 184 Ca -0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.01 1bsu n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1bsu h ASN 185 N 0.00 0.08 -0.60 1.61 -1.07 -2.00 -0.09 115.58 113.51 1bsu h ASN 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1bsu h ASN 185 Cb 0.00 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1bsu h ASN 185 CO 0.00 0.04 0.00 0.35 0.07 0.00 0.00 177.43 177.89 1bsu n THR 186 N -4.41 0.80 -3.52 6.14 -2.24 -1.26 -5.01 114.28 104.79 1bsu n THR 186 Ca 0.10 -0.82 -0.20 0.00 -2.27 0.00 0.00 64.05 60.85 1bsu n THR 186 Cb 0.56 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1bsu n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bsu n THR 187 N 1.33 -1.95 -4.00 4.28 -2.24 -0.05 -4.77 114.28 106.88 1bsu n THR 187 Ca 0.21 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 1bsu n THR 187 Cb 0.53 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 1bsu n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1bsu s ASN 188 N -3.04 5.81 0.26 3.42 0.02 -1.16 -2.36 114.94 117.89 1bsu s ASN 188 Ca 0.09 0.09 -0.30 0.00 -1.02 0.00 0.00 52.86 51.72 1bsu s ASN 188 Cb -0.05 -1.65 -0.09 0.00 0.02 0.00 0.00 41.25 39.48 1bsu s ASN 188 CO 0.59 0.17 1.04 -0.63 0.02 0.00 0.00 177.10 178.29 1bsu s ILE 189 N -1.43 3.70 -0.13 0.60 1.01 0.13 0.18 121.20 125.26 1bsu s ILE 189 Ca 0.31 1.72 -0.05 0.00 0.00 0.00 0.00 60.65 62.63 1bsu s ILE 189 Cb -0.12 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1bsu s ILE 189 CO 0.24 0.41 0.06 -0.83 0.00 0.00 0.00 174.94 174.81 1bsu s GLY 190 N -0.98 1.94 1.24 6.18 0.00 -0.82 0.51 107.32 115.39 1bsu s GLY 190 Ca 0.43 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 44.20 1bsu s GLY 190 CO 0.38 -0.28 1.12 -1.35 0.00 0.00 0.00 173.10 172.96 1bsu s SER 191 N -0.42 0.64 0.70 1.64 1.04 -0.43 -0.46 113.70 116.40 1bsu s SER 191 Ca 0.09 0.53 -0.14 0.00 0.48 0.00 0.00 55.95 56.91 1bsu s SER 191 Cb -0.12 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1bsu s SER 191 CO 0.02 -4.29 1.13 0.27 0.98 0.00 0.00 173.24 171.35 1bsu s ILE 192 N -3.02 3.00 -0.59 -1.02 -4.36 0.15 -4.03 121.20 111.32 1bsu s ILE 192 Ca 0.72 0.44 -0.11 0.00 -0.26 0.00 0.00 60.65 61.44 1bsu s ILE 192 Cb -0.08 -2.94 0.15 0.00 1.25 0.00 0.00 42.46 40.84 1bsu s ILE 192 CO 0.56 -0.31 0.49 -2.28 0.24 0.00 0.00 174.94 173.64 1bsu s HIS 193 N -2.36 3.46 0.18 1.37 5.65 -1.26 -4.49 115.29 117.85 1bsu s HIS 193 Ca 0.68 -1.88 -0.02 0.00 0.25 0.00 0.00 55.06 54.09 1bsu s HIS 193 Cb -0.22 -3.61 0.01 0.00 -1.18 0.00 0.00 32.58 27.58 1bsu s HIS 193 CO 0.45 -0.98 0.27 0.00 -0.65 0.00 0.00 174.74 173.83 1bsu n ALA 194 N 4.58 -0.25 -2.04 1.58 0.00 -0.93 -4.89 120.51 118.56 1bsu n ALA 194 Ca -0.02 -0.81 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 1bsu n ALA 194 Cb 0.42 0.65 -0.02 0.00 0.00 0.00 0.00 19.45 20.50 1bsu n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1bsu s HIS 195 N -4.11 3.50 0.46 0.00 3.76 -1.26 -0.55 115.29 117.09 1bsu s HIS 195 Ca 0.14 1.18 0.24 0.00 -0.15 0.00 0.00 55.06 56.48 1bsu s HIS 195 Cb -0.01 -2.57 1.27 0.00 1.11 0.00 0.00 32.58 32.38 1bsu s HIS 195 CO 0.10 -0.29 1.84 -0.92 -0.85 0.00 0.00 174.74 174.62 1bsu h TYR 196 N 0.81 0.34 -0.86 1.40 3.20 -1.91 -1.29 116.97 118.65 1bsu h TYR 196 Ca -0.47 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.39 1bsu h TYR 196 Cb 1.19 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 1bsu h TYR 196 CO 0.62 0.06 0.43 0.87 -1.64 0.00 0.00 178.16 178.50 1bsu h LYS 197 N 0.23 1.23 0.00 1.82 1.79 -1.99 -2.30 116.57 117.35 1bsu h LYS 197 Ca 0.50 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.76 1bsu h LYS 197 Cb 1.55 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1bsu h LYS 197 CO -0.13 0.93 -0.18 -0.44 -1.08 0.00 0.00 179.45 178.55 1bsu h ASP 198 N 1.22 0.00 -0.04 0.86 3.32 -1.61 0.44 116.42 120.61 1bsu h ASP 198 Ca 0.30 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.14 1bsu h ASP 198 Cb 0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1bsu h ASP 198 CO -0.04 0.18 -0.80 -0.26 -1.72 0.00 0.00 179.24 176.60 1bsu h PHE 199 N 0.00 0.87 -0.07 4.55 0.04 -1.45 0.13 116.94 121.02 1bsu h PHE 199 Ca -0.00 -0.45 -0.03 0.00 2.80 0.00 0.00 57.97 60.29 1bsu h PHE 199 Cb 0.35 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1bsu h PHE 199 CO 0.00 1.27 -0.07 0.28 -0.60 0.00 0.00 178.31 179.20 1bsu h VAL 200 N 0.23 1.37 0.00 -0.55 2.07 -1.03 -3.22 116.25 115.12 1bsu h VAL 200 Ca -0.09 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1bsu h VAL 200 Cb 1.47 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1bsu h VAL 200 CO 0.16 0.34 -0.23 -0.33 0.02 0.00 0.00 177.57 177.53 1bsu h GLU 201 N -0.27 0.00 -0.34 1.57 5.08 -0.22 -3.48 114.58 116.92 1bsu h GLU 201 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1bsu h GLU 201 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1bsu h GLU 201 CO 0.02 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.67 1bsu n GLY 202 N 0.10 0.70 2.94 -3.84 0.00 0.28 -4.98 105.19 100.39 1bsu n GLY 202 Ca -0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1bsu n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bsu n LYS 203 N -0.79 3.01 0.00 1.61 5.02 -0.11 -4.92 118.16 121.97 1bsu n LYS 203 Ca 0.00 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1bsu n LYS 203 Cb 0.45 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 1bsu n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bsu n GLY 204 N 4.27 0.29 0.00 0.72 0.00 -1.22 -4.94 105.19 104.30 1bsu n GLY 204 Ca 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1bsu n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bsu n ILE 205 N 0.00 0.00 -2.76 -0.61 -5.35 -1.26 -5.08 119.36 104.30 1bsu n ILE 205 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1bsu n ILE 205 Cb 0.00 -0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 1bsu n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1bsu s PHE 206 N -1.43 3.42 -0.12 4.28 0.08 -1.26 -5.01 117.98 117.94 1bsu s PHE 206 Ca 0.00 1.30 0.20 0.00 0.12 0.00 0.00 56.93 58.56 1bsu s PHE 206 Cb 0.00 -2.64 -0.22 0.00 -0.57 0.00 0.00 43.02 39.59 1bsu s PHE 206 CO 0.00 -0.15 0.57 -0.25 -0.10 0.00 0.00 175.22 175.29 1bsu n ASP 207 N -1.10 0.33 -3.91 1.36 8.00 -1.26 -5.01 116.55 114.95 1bsu n ASP 207 Ca 0.05 0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.60 1bsu n ASP 207 Cb 0.54 1.15 -0.04 0.00 -0.02 0.00 0.00 41.12 42.75 1bsu n ASP 207 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bsu s SER 208 N -5.12 -0.18 0.40 -2.24 1.04 -1.26 -5.02 113.70 101.31 1bsu s SER 208 Ca -0.06 -0.74 0.21 0.00 0.48 0.00 0.00 55.95 55.83 1bsu s SER 208 Cb 0.11 0.65 0.71 0.00 0.10 0.00 0.00 66.02 67.59 1bsu s SER 208 CO 0.85 -1.23 1.74 -0.08 0.98 0.00 0.00 173.24 175.51 1bsu h GLU 209 N 2.13 0.00 -0.23 4.02 4.81 -1.95 -2.54 114.58 120.83 1bsu h GLU 209 Ca -0.23 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1bsu h GLU 209 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1bsu h GLU 209 CO 0.30 0.31 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.96 1bsu h ASP 210 N 0.00 0.67 -0.12 1.04 5.19 -1.98 -0.41 116.42 120.82 1bsu h ASP 210 Ca -0.00 -0.34 -0.13 0.00 -0.62 0.00 0.00 57.03 55.94 1bsu h ASP 210 Cb 0.89 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1bsu h ASP 210 CO 0.04 1.05 -0.42 -0.08 -3.12 0.00 0.00 179.24 176.72 1bsu h GLU 211 N 0.49 0.49 -0.19 3.56 4.81 -1.90 -0.84 114.58 121.00 1bsu h GLU 211 Ca 0.02 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1bsu h GLU 211 Cb 1.04 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1bsu h GLU 211 CO 0.10 0.99 -0.14 0.35 -0.73 0.00 0.00 179.01 179.59 1bsu h PHE 212 N 0.08 -0.34 -0.72 0.92 3.57 -1.34 0.94 116.94 120.05 1bsu h PHE 212 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1bsu h PHE 212 Cb 1.05 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1bsu h PHE 212 CO 0.11 -0.20 0.43 -0.07 -2.23 0.00 0.00 178.31 176.35 1bsu h LEU 213 N -0.14 0.87 -0.36 0.59 3.38 -1.06 -2.09 115.31 116.51 1bsu h LEU 213 Ca 0.11 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1bsu h LEU 213 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1bsu h LEU 213 CO -0.27 0.69 -0.38 -0.78 0.09 0.00 0.00 178.44 177.79 1bsu h ASP 214 N 0.99 0.96 0.14 -0.43 3.58 -0.69 -1.80 116.42 119.16 1bsu h ASP 214 Ca 0.26 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 1bsu h ASP 214 Cb -0.02 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1bsu h ASP 214 CO -0.05 1.23 -0.11 0.22 -2.88 0.00 0.00 179.24 177.66 1bsu h TYR 215 N 0.70 -0.27 0.00 0.28 5.03 -0.71 -2.90 116.97 119.09 1bsu h TYR 215 Ca 0.06 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 1bsu h TYR 215 Cb 0.97 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 1bsu h TYR 215 CO 0.07 -0.17 -0.30 -1.49 -1.32 0.00 0.00 178.16 174.95 1bsu h TRP 216 N -0.25 0.00 0.00 -3.82 4.06 -1.40 -1.98 115.95 112.56 1bsu h TRP 216 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1bsu h TRP 216 Cb 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1bsu h TRP 216 CO -0.10 0.30 0.00 0.54 -3.56 0.00 0.00 178.44 175.62 1bsu n ARG 217 N -3.58 0.01 0.00 0.49 1.74 -0.68 -3.30 116.66 111.35 1bsu n ARG 217 Ca -0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1bsu n ARG 217 Cb 0.43 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1bsu n ARG 217 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bsu n ASN 218 N -1.50 1.40 -4.70 0.55 3.02 -1.03 -5.01 115.26 108.00 1bsu n ASN 218 Ca 0.07 -1.50 -0.42 0.00 -0.03 0.00 0.00 54.58 52.69 1bsu n ASN 218 Cb 0.32 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1bsu n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsu s TYR 219 N -0.50 3.10 0.21 3.10 5.04 -0.77 -4.97 117.35 122.55 1bsu s TYR 219 Ca 0.00 1.02 -0.26 0.00 -2.44 0.00 0.00 57.07 55.38 1bsu s TYR 219 Cb 0.00 -3.57 -0.08 0.00 0.35 0.00 0.00 41.96 38.66 1bsu s TYR 219 CO 0.00 -1.98 0.83 -1.21 -1.34 0.00 0.00 175.55 171.86 1bsu s GLU 220 N 1.87 4.62 0.56 4.97 0.41 -1.26 -5.00 118.70 124.88 1bsu s GLU 220 Ca 0.61 1.24 0.25 0.00 -0.41 0.00 0.00 54.97 56.67 1bsu s GLU 220 Cb -0.31 -3.19 1.53 0.00 -1.78 0.00 0.00 34.13 30.38 1bsu s GLU 220 CO 0.27 0.52 2.10 0.00 -0.49 0.00 0.00 175.26 177.65 1bsu h ARG 221 N 4.09 0.00 -5.26 1.61 3.08 -1.96 -3.44 114.38 112.50 1bsu h ARG 221 Ca -0.47 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.20 1bsu h ARG 221 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 1bsu h ARG 221 CO 0.66 0.00 -0.74 0.95 -1.07 0.00 0.00 179.97 179.77 1bsu s THR 222 N -4.82 1.24 0.25 2.04 -4.23 -1.26 -5.04 115.64 103.82 1bsu s THR 222 Ca -0.05 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1bsu s THR 222 Cb 0.17 -1.58 0.23 0.00 1.34 0.00 0.00 72.50 72.66 1bsu s THR 222 CO 0.62 -0.52 1.83 0.28 -0.54 0.00 0.00 174.62 176.28 1bsu h SER 223 N 3.34 0.77 -0.55 3.99 0.02 -1.98 0.18 113.55 119.31 1bsu h SER 223 Ca -0.39 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1bsu h SER 223 Cb 1.19 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1bsu h SER 223 CO 0.54 0.44 0.34 1.56 -1.14 0.00 0.00 176.83 178.58 1bsu h GLN 224 N 0.88 0.66 -0.44 3.45 7.50 -1.97 0.30 115.11 125.49 1bsu h GLN 224 Ca 0.41 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.43 1bsu h GLN 224 Cb 0.34 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 1bsu h GLN 224 CO -0.23 0.44 -0.10 -0.07 -1.50 0.00 0.00 178.83 177.36 1bsu h LEU 225 N 0.68 0.77 -0.21 1.46 3.38 -1.63 -3.13 115.31 116.62 1bsu h LEU 225 Ca 0.22 -0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1bsu h LEU 225 Cb -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1bsu h LEU 225 CO -0.08 0.90 -0.92 0.03 0.09 0.00 0.00 178.44 178.45 1bsu h ARG 226 N 0.71 0.09 -0.27 1.13 3.08 -0.40 -3.27 114.38 115.45 1bsu h ARG 226 Ca 0.12 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1bsu h ARG 226 Cb 0.58 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1bsu h ARG 226 CO 0.04 0.94 0.45 -0.91 -1.07 0.00 0.00 179.97 179.42 1bsu h ASN 227 N 0.04 0.00 -0.00 7.04 -0.26 -0.37 0.19 115.58 122.22 1bsu h ASN 227 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1bsu h ASN 227 Cb 1.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.85 1bsu h ASN 227 CO 0.13 0.00 -0.77 -0.67 -1.06 0.00 0.00 177.43 175.06 1bsu n ASP 228 N -3.35 1.16 0.00 5.81 -0.08 -1.23 -4.83 116.55 114.03 1bsu n ASP 228 Ca 0.04 -1.08 0.00 0.00 -1.51 0.00 0.00 54.79 52.24 1bsu n ASP 228 Cb 0.58 0.86 0.00 0.00 2.34 0.00 0.00 41.12 44.90 1bsu n ASP 228 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1bsu n LYS 229 N -1.08 0.00 -3.72 -0.67 4.81 0.61 -5.13 118.16 112.98 1bsu n LYS 229 Ca 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1bsu n LYS 229 Cb 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.29 1bsu n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1bsu s TYR 230 N 0.39 -0.42 -0.22 5.64 -0.85 -0.80 -4.86 117.35 116.23 1bsu s TYR 230 Ca 0.00 0.96 0.02 0.00 -0.52 0.00 0.00 57.07 57.53 1bsu s TYR 230 Cb 0.00 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.50 1bsu s TYR 230 CO 0.00 -0.28 0.38 0.09 -1.52 0.00 0.00 175.55 174.22 1bsu n ASN 231 N 2.44 0.76 -3.89 -0.18 3.02 -1.26 -4.80 115.26 111.35 1bsu n ASN 231 Ca -0.15 -0.88 -0.08 0.00 -0.03 0.00 0.00 54.58 53.44 1bsu n ASN 231 Cb 0.57 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 1bsu n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bsu s ASN 232 N -0.59 -0.22 0.25 6.41 2.20 -1.26 -4.80 114.94 116.92 1bsu s ASN 232 Ca 0.02 -0.68 -0.03 0.00 -0.94 0.00 0.00 52.86 51.23 1bsu s ASN 232 Cb 0.02 0.69 0.48 0.00 -2.00 0.00 0.00 41.25 40.44 1bsu s ASN 232 CO 0.05 -1.28 1.75 -0.29 -2.94 0.00 0.00 177.10 174.39 1bsu h ILE 233 N 2.07 0.70 0.52 0.54 6.09 -1.98 -1.54 117.51 123.91 1bsu h ILE 233 Ca -0.21 -0.18 -0.02 0.00 -1.37 0.00 0.00 64.86 63.08 1bsu h ILE 233 Cb 1.25 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1bsu h ILE 233 CO 0.27 0.10 -0.39 0.28 -3.07 0.00 0.00 178.15 175.33 1bsu h SER 234 N 0.53 -1.03 -0.62 2.19 0.02 -1.99 -0.50 113.55 112.15 1bsu h SER 234 Ca 0.43 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.52 1bsu h SER 234 Cb 0.62 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 1bsu h SER 234 CO -0.38 -0.58 0.41 -0.33 -1.14 0.00 0.00 176.83 174.82 1bsu h GLU 235 N -0.89 0.57 -0.41 3.45 5.08 -1.89 0.38 114.58 120.86 1bsu h GLU 235 Ca -0.06 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1bsu h GLU 235 Cb 0.75 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1bsu h GLU 235 CO 0.01 0.38 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.37 1bsu h TYR 236 N 0.59 0.80 -0.19 4.33 3.20 -0.80 0.11 116.97 125.01 1bsu h TYR 236 Ca 0.27 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1bsu h TYR 236 Cb 0.31 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1bsu h TYR 236 CO -0.00 0.80 -0.31 0.00 -1.64 0.00 0.00 178.16 177.01 1bsu h ARG 237 N 0.67 0.54 -0.41 1.82 3.08 0.69 -1.57 114.38 119.19 1bsu h ARG 237 Ca 0.12 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1bsu h ARG 237 Cb 0.56 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1bsu h ARG 237 CO 0.03 0.93 0.26 -0.91 -1.07 0.00 0.00 179.97 179.22 1bsu h ASN 238 N 0.19 0.48 -0.67 7.04 2.35 -1.17 0.76 115.58 124.56 1bsu h ASN 238 Ca 0.01 -0.03 0.14 0.00 -0.55 0.00 0.00 56.30 55.88 1bsu h ASN 238 Cb 0.89 -0.12 -0.11 0.00 0.05 0.00 0.00 38.32 39.03 1bsu h ASN 238 CO 0.07 0.37 0.03 -0.25 -1.65 0.00 0.00 177.43 176.00 1bsu h TRP 239 N 0.55 0.00 -0.57 1.19 7.01 -0.64 0.13 115.95 123.62 1bsu h TRP 239 Ca 0.15 0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 1bsu h TRP 239 Cb -0.03 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1bsu h TRP 239 CO -0.04 -0.17 0.03 0.82 -2.79 0.00 0.00 178.44 176.28 1bsu h ILE 240 N 0.13 1.26 -0.92 2.65 1.08 -0.71 0.43 117.51 121.43 1bsu h ILE 240 Ca 0.36 -1.09 0.04 0.00 -0.39 0.00 0.00 64.86 63.78 1bsu h ILE 240 Cb 0.60 0.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 1bsu h ILE 240 CO -0.56 0.39 0.60 0.22 -0.69 0.00 0.00 178.15 178.11 1bsu h TYR 241 N 0.88 1.12 -0.00 1.37 5.03 0.16 -2.54 116.97 122.99 1bsu h TYR 241 Ca 0.17 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1bsu h TYR 241 Cb 0.51 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1bsu h TYR 241 CO 0.04 0.63 -0.04 0.54 -1.32 0.00 0.00 178.16 178.01 1bsu n ARG 242 N -4.51 0.53 0.00 1.82 5.12 -0.53 -4.90 116.66 114.18 1bsu n ARG 242 Ca 0.12 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1bsu n ARG 242 Cb 0.10 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1bsu n ARG 242 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bsu n GLY 243 N 1.28 1.14 3.60 -0.13 0.00 -0.96 -5.10 105.19 105.02 1bsu n GLY 243 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1bsu n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86