#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1squ s ASP 2 N 0.00 6.85 0.44 6.12 3.68 -1.26 -4.89 116.67 127.61 1squ s ASP 2 Ca 0.00 2.30 0.09 0.00 2.13 0.00 0.00 52.55 57.07 1squ s ASP 2 Cb 0.00 -2.59 0.96 0.00 -1.45 0.00 0.00 42.92 39.84 1squ s ASP 2 CO 0.00 -0.63 2.07 0.00 0.13 0.00 0.00 175.17 176.74 1squ h ALA 3 N 6.75 1.79 -0.52 3.66 0.00 -2.04 0.10 119.26 129.00 1squ h ALA 3 Ca -0.42 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1squ h ALA 3 Cb 1.21 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1squ h ALA 3 CO 0.86 0.19 0.25 0.00 0.00 0.00 0.00 179.25 180.54 1squ h ARG 4 N 0.43 0.46 0.34 0.00 3.08 -1.98 1.17 114.38 117.89 1squ h ARG 4 Ca 0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1squ h ARG 4 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1squ h ARG 4 CO -0.03 0.31 -0.16 0.82 -1.07 0.00 0.00 179.97 179.83 1squ h ILE 5 N 0.48 0.68 -0.94 2.04 2.04 -1.24 0.66 117.51 121.23 1squ h ILE 5 Ca 0.24 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 66.08 1squ h ILE 5 Cb 0.18 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1squ h ILE 5 CO -0.19 0.03 0.56 0.58 0.00 0.00 0.00 178.15 179.14 1squ h VAL 6 N -0.54 0.86 -0.26 1.67 2.07 -0.43 0.25 116.25 119.89 1squ h VAL 6 Ca -0.05 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1squ h VAL 6 Cb 0.40 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1squ h VAL 6 CO 0.08 0.16 -0.39 0.78 0.02 0.00 0.00 177.57 178.21 1squ h ASN 7 N 0.86 0.79 -0.76 0.57 2.35 0.17 -1.99 115.58 117.57 1squ h ASN 7 Ca 0.48 -0.52 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1squ h ASN 7 Cb 0.54 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1squ h ASN 7 CO -0.29 1.15 0.50 0.00 -1.65 0.00 0.00 177.43 177.14 1squ h ALA 8 N 0.66 1.61 0.52 -0.83 0.00 0.22 -0.68 119.26 120.75 1squ h ALA 8 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1squ h ALA 8 Cb 0.99 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1squ h ALA 8 CO 0.09 0.30 -0.25 1.25 0.00 0.00 0.00 179.25 180.64 1squ h LEU 9 N 0.87 -0.59 -0.74 0.00 5.85 -0.44 -2.89 115.31 117.37 1squ h LEU 9 Ca 0.32 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.12 1squ h LEU 9 Cb 0.15 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.20 1squ h LEU 9 CO -0.10 -0.20 -0.33 0.40 -0.34 0.00 0.00 178.44 177.87 1squ h ILE 10 N -1.07 0.13 -0.89 4.05 2.04 -0.96 0.50 117.51 121.30 1squ h ILE 10 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1squ h ILE 10 Cb 0.60 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1squ h ILE 10 CO 0.12 0.00 0.55 1.23 0.00 0.00 0.00 178.15 180.05 1squ h GLY 11 N -0.09 1.35 0.97 5.37 0.00 -1.19 -0.04 103.07 109.44 1squ h GLY 11 Ca 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1squ h GLY 11 CO -0.79 0.25 0.21 1.76 0.00 0.00 0.00 176.54 177.96 1squ h SER 12 N 0.98 0.68 -0.40 0.19 0.02 -0.72 0.14 113.55 114.44 1squ h SER 12 Ca 0.40 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1squ h SER 12 Cb 0.22 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1squ h SER 12 CO -0.19 0.66 -0.11 0.58 -1.14 0.00 0.00 176.83 176.63 1squ h VAL 13 N 0.67 1.28 0.12 2.27 2.07 -0.85 -1.42 116.25 120.38 1squ h VAL 13 Ca 0.17 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1squ h VAL 13 Cb 0.18 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1squ h VAL 13 CO -0.01 0.41 -0.06 0.22 0.02 0.00 0.00 177.57 178.14 1squ h TYR 14 N 0.60 -0.15 -0.74 1.57 5.03 -0.81 -1.55 116.97 120.92 1squ h TYR 14 Ca 0.10 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.57 1squ h TYR 14 Cb 0.64 0.05 -0.12 0.00 1.55 0.00 0.00 36.73 38.85 1squ h TYR 14 CO 0.05 -0.09 0.14 0.93 -1.32 0.00 0.00 178.16 177.87 1squ h GLU 15 N -0.17 0.22 0.25 1.82 5.08 -1.07 -2.33 114.58 118.36 1squ h GLU 15 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1squ h GLU 15 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1squ h GLU 15 CO 0.03 0.14 -0.12 1.15 -1.00 0.00 0.00 179.01 179.21 1squ h THR 16 N 0.23 0.81 0.00 1.13 2.02 -1.30 -1.84 112.91 113.96 1squ h THR 16 Ca 0.42 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1squ h THR 16 Cb 0.73 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1squ h THR 16 CO -0.55 0.10 0.00 2.30 0.37 0.00 0.00 175.52 177.74 1squ n ILE 17 N -5.13 0.33 -0.05 3.11 -6.64 -0.58 -1.17 119.36 109.22 1squ n ILE 17 Ca -0.09 0.08 -0.21 0.00 -1.77 0.00 0.00 62.75 60.75 1squ n ILE 17 Cb 0.22 -0.79 -0.13 0.00 -1.44 0.00 0.00 39.64 37.51 1squ n ILE 17 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 1squ h ARG 18 N 0.00 0.13 -0.01 6.28 2.43 -1.23 -2.89 114.38 119.09 1squ h ARG 18 Ca 0.00 -0.21 -0.19 0.00 -0.81 0.00 0.00 59.98 58.76 1squ h ARG 18 Cb 0.12 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1squ h ARG 18 CO 0.00 1.10 -0.84 -0.44 -1.51 0.00 0.00 179.97 178.28 1squ h ASP 19 N -0.56 0.28 0.11 -3.80 3.32 -0.85 0.15 116.42 115.07 1squ h ASP 19 Ca -0.35 -0.22 -0.35 0.00 0.02 0.00 0.00 57.03 56.14 1squ h ASP 19 Cb 1.59 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.04 1squ h ASP 19 CO -0.06 1.00 -1.89 0.52 -1.72 0.00 0.00 179.24 177.09 1squ n VAL 20 N -3.70 1.75 0.05 -1.35 0.31 -0.32 -4.34 118.33 110.74 1squ n VAL 20 Ca -0.04 -0.56 0.08 0.00 -0.01 0.00 0.00 64.34 63.81 1squ n VAL 20 Cb 0.78 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 1squ n VAL 20 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1squ n LEU 21 N -3.63 0.58 0.00 7.52 4.77 -1.10 -4.23 117.00 120.91 1squ n LEU 21 Ca -0.32 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1squ n LEU 21 Cb 0.99 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1squ n LEU 21 CO 0.39 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1squ n GLY 22 N 1.27 0.52 3.26 -0.72 0.00 0.53 -4.80 105.19 105.24 1squ n GLY 22 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1squ n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1squ s ILE 23 N -2.11 1.83 -0.21 -0.61 -5.25 -1.20 -4.97 121.20 108.69 1squ s ILE 23 Ca 0.00 -0.98 -0.29 0.00 -0.99 0.00 0.00 60.65 58.39 1squ s ILE 23 Cb 0.00 -1.53 0.01 0.00 2.95 0.00 0.00 42.46 43.89 1squ s ILE 23 CO 0.00 0.52 1.04 -1.61 -1.79 0.00 0.00 174.94 173.10 1squ s GLU 24 N -0.46 4.28 0.77 0.37 2.02 -1.26 -3.42 118.70 121.00 1squ s GLU 24 Ca 0.07 1.37 -0.12 0.00 0.02 0.00 0.00 54.97 56.31 1squ s GLU 24 Cb -0.10 -3.63 0.05 0.00 0.10 0.00 0.00 34.13 30.56 1squ s GLU 24 CO -0.00 -0.60 1.11 -1.25 0.02 0.00 0.00 175.26 174.54 1squ s PRO 25 N 3.07 2.29 -0.55 0.39 0.04 -1.26 -4.96 135.00 134.02 1squ s PRO 25 Ca 0.45 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1squ s PRO 25 Cb -0.15 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.57 1squ s PRO 25 CO 0.07 -1.44 0.31 0.21 0.04 0.00 0.00 177.00 176.20 1squ s LYS 26 N -5.29 2.15 0.39 4.56 2.20 -0.70 -5.00 119.74 118.05 1squ s LYS 26 Ca 0.60 -2.58 -0.28 0.00 -0.36 0.00 0.00 55.97 53.35 1squ s LYS 26 Cb -0.13 -3.44 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 1squ s LYS 26 CO 0.53 -1.13 1.45 -2.37 -0.36 0.00 0.00 175.35 173.47 1squ n THR 27 N 3.24 2.13 -1.38 3.43 5.66 -1.26 -2.73 114.28 123.37 1squ n THR 27 Ca 0.06 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1squ n THR 27 Cb 0.34 -1.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.22 1squ n THR 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1squ n GLY 28 N 0.52 1.76 3.70 1.09 0.00 0.29 -4.96 105.19 107.58 1squ n GLY 28 Ca 0.02 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1squ n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1squ s LYS 29 N 3.22 4.19 0.71 1.61 2.20 -1.26 -4.71 119.74 125.69 1squ s LYS 29 Ca 0.00 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.46 1squ s LYS 29 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1squ s LYS 29 CO 0.00 0.12 0.61 -2.30 -0.36 0.00 0.00 175.35 173.42 1squ n PRO 30 N 4.00 0.36 -3.57 4.03 -0.02 -1.26 -4.30 135.00 134.23 1squ n PRO 30 Ca -0.12 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1squ n PRO 30 Cb 0.52 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1squ n PRO 30 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1squ s SER 31 N -1.47 -0.39 0.23 2.55 0.15 -0.33 -4.96 113.70 109.48 1squ s SER 31 Ca 0.67 0.60 -0.30 0.00 0.70 0.00 0.00 55.95 57.62 1squ s SER 31 Cb -0.36 1.24 -0.09 0.00 -1.71 0.00 0.00 66.02 65.10 1squ s SER 31 CO 0.56 -0.09 0.96 -0.89 1.20 0.00 0.00 173.24 174.98 1squ s THR 32 N 1.51 4.05 0.07 6.45 2.01 -1.26 0.14 115.64 128.61 1squ s THR 32 Ca -0.07 2.04 0.02 0.00 0.31 0.00 0.00 61.69 63.99 1squ s THR 32 Cb -0.04 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1squ s THR 32 CO -0.14 0.48 -0.08 0.54 -0.69 0.00 0.00 174.62 174.72 1squ s VAL 33 N -1.09 0.68 0.08 3.82 0.11 -0.27 -4.90 120.40 118.83 1squ s VAL 33 Ca 0.42 -1.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.04 1squ s VAL 33 Cb -0.26 -1.13 -0.23 0.00 -1.53 0.00 0.00 36.38 33.23 1squ s VAL 33 CO 0.33 -0.58 1.13 0.77 -3.33 0.00 0.00 175.10 173.42 1squ h SER 34 N 3.79 0.08 -3.53 3.54 4.64 -1.97 -3.35 113.55 116.74 1squ h SER 34 Ca -0.36 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 1squ h SER 34 Cb 1.19 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 1squ h SER 34 CO 0.51 1.08 -0.21 0.00 -0.87 0.00 0.00 176.83 177.34 1squ n HIS 35 N -3.33 -0.75 -3.92 4.77 1.44 -1.26 -4.97 115.22 107.19 1squ n HIS 35 Ca -0.05 -1.67 -0.29 0.00 -2.01 0.00 0.00 57.72 53.70 1squ n HIS 35 Cb 0.98 0.26 -0.16 0.00 0.12 0.00 0.00 29.99 31.18 1squ n HIS 35 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1squ s ILE 36 N -2.78 1.32 -0.15 0.61 1.01 -1.26 -5.07 121.20 114.88 1squ s ILE 36 Ca 0.23 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1squ s ILE 36 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1squ s ILE 36 CO 0.16 0.09 0.45 -1.61 0.00 0.00 0.00 174.94 174.03 1squ s GLU 37 N 1.53 4.28 -0.37 2.79 0.41 -1.26 -4.42 118.70 121.66 1squ s GLU 37 Ca -0.01 0.36 -0.02 0.00 -0.41 0.00 0.00 54.97 54.89 1squ s GLU 37 Cb -0.16 -3.47 0.09 0.00 -1.78 0.00 0.00 34.13 28.81 1squ s GLU 37 CO -0.08 0.09 0.13 0.42 -0.49 0.00 0.00 175.26 175.33 1squ s ILE 38 N 0.88 3.07 -0.49 -1.63 1.01 -1.26 -4.94 121.20 117.84 1squ s ILE 38 Ca 0.23 -1.91 0.26 0.00 0.00 0.00 0.00 60.65 59.23 1squ s ILE 38 Cb -0.15 -3.04 0.30 0.00 0.01 0.00 0.00 42.46 39.59 1squ s ILE 38 CO 0.09 -0.52 1.76 -0.65 0.00 0.00 0.00 174.94 175.61 1squ h PRO 39 N 7.98 0.00 0.00 2.79 0.11 -1.97 -3.44 132.00 137.47 1squ h PRO 39 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1squ h PRO 39 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1squ h PRO 39 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 1squ n HIS 40 N -2.53 -2.17 -0.46 0.65 8.25 -1.26 -5.01 115.22 112.68 1squ n HIS 40 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1squ n HIS 40 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1squ n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1squ n SER 41 N -1.93 0.93 -3.78 0.41 3.41 -1.26 -4.63 113.62 106.77 1squ n SER 41 Ca 0.00 -1.39 -0.25 0.00 -0.26 0.00 0.00 58.87 56.96 1squ n SER 41 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1squ n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1squ s LEU 42 N -0.39 0.94 -0.03 1.04 1.43 -1.25 -1.93 118.68 118.49 1squ s LEU 42 Ca 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1squ s LEU 42 Cb 0.00 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1squ s LEU 42 CO 0.00 -0.22 -0.06 0.54 0.23 0.00 0.00 176.35 176.83 1squ s VAL 43 N 1.88 0.62 -0.02 -1.59 0.11 0.32 -2.35 120.40 119.37 1squ s VAL 43 Ca 0.03 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1squ s VAL 43 Cb -0.14 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1squ s VAL 43 CO -0.07 0.22 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.92 1squ s THR 44 N 0.48 3.35 -0.06 5.04 2.01 0.30 -0.06 115.64 126.71 1squ s THR 44 Ca -0.07 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1squ s THR 44 Cb -0.11 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1squ s THR 44 CO 0.00 0.49 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 1squ s VAL 45 N -0.86 1.04 -0.12 3.82 1.01 -0.91 -1.80 120.40 122.57 1squ s VAL 45 Ca 0.14 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1squ s VAL 45 Cb -0.11 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1squ s VAL 45 CO 0.04 0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.71 1squ s ILE 46 N 0.62 1.39 0.64 2.22 1.01 -0.07 -2.30 121.20 124.71 1squ s ILE 46 Ca -0.13 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1squ s ILE 46 Cb -0.15 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1squ s ILE 46 CO 0.03 0.42 0.98 -0.83 0.00 0.00 0.00 174.94 175.55 1squ s GLY 47 N 1.26 1.61 -0.06 6.18 0.00 -1.26 -0.62 107.32 114.43 1squ s GLY 47 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 1squ s GLY 47 CO -0.05 -0.21 0.14 -0.42 0.00 0.00 0.00 173.10 172.56 1squ s ILE 48 N -3.14 -0.02 0.28 0.90 1.01 -1.05 -1.94 121.20 117.23 1squ s ILE 48 Ca 0.55 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1squ s ILE 48 Cb -0.11 -0.22 -0.06 0.00 0.01 0.00 0.00 42.46 42.09 1squ s ILE 48 CO 0.48 0.03 -0.03 0.42 0.00 0.00 0.00 174.94 175.85 1squ s THR 49 N 0.58 1.44 0.00 2.92 -4.23 -0.46 -1.76 115.64 114.13 1squ s THR 49 Ca -0.04 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1squ s THR 49 Cb -0.06 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1squ s THR 49 CO -0.03 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1squ n GLY 50 N -0.57 0.96 0.40 3.99 0.00 -1.26 -1.65 105.19 107.07 1squ n GLY 50 Ca -0.05 -1.31 0.20 0.00 0.00 0.00 0.00 46.02 44.86 1squ n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1squ h GLY 51 N 0.00 1.17 -6.52 -0.02 0.00 -1.55 -3.37 103.07 92.78 1squ h GLY 51 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 47.33 46.77 1squ h GLY 51 CO 0.00 -0.08 -0.74 -0.26 0.00 0.00 0.00 176.54 175.46 1squ s ILE 52 N -5.52 0.12 -0.17 2.60 -5.25 -1.26 -4.09 121.20 107.64 1squ s ILE 52 Ca -0.09 0.13 0.01 0.00 -0.99 0.00 0.00 60.65 59.71 1squ s ILE 52 Cb 0.24 -0.24 0.01 0.00 2.95 0.00 0.00 42.46 45.42 1squ s ILE 52 CO 0.79 0.14 -0.18 -1.83 -1.79 0.00 0.00 174.94 172.08 1squ s GLU 53 N 1.16 3.10 0.00 0.37 -1.05 0.10 -3.35 118.70 119.02 1squ s GLU 53 Ca -0.08 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 1squ s GLU 53 Cb -0.13 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1squ s GLU 53 CO -0.02 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1squ n GLY 54 N 4.32 -0.32 3.83 -3.83 0.00 -0.72 -1.54 105.19 106.93 1squ n GLY 54 Ca -0.20 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 1squ n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1squ s SER 55 N -4.00 -0.05 -0.08 1.61 1.04 -0.36 -2.54 113.70 109.32 1squ s SER 55 Ca 0.00 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1squ s SER 55 Cb 0.00 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1squ s SER 55 CO 0.00 -0.95 -0.04 -0.22 0.98 0.00 0.00 173.24 173.02 1squ s LEU 56 N -3.24 0.93 -0.09 2.42 2.96 0.20 -1.99 118.68 119.87 1squ s LEU 56 Ca 0.18 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1squ s LEU 56 Cb -0.02 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.09 1squ s LEU 56 CO 0.04 -0.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.21 1squ s ILE 57 N 1.70 1.01 0.01 6.68 1.01 -0.68 -0.89 121.20 130.04 1squ s ILE 57 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1squ s ILE 57 Cb -0.13 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1squ s ILE 57 CO -0.05 0.35 -0.03 -0.72 0.00 0.00 0.00 174.94 174.49 1squ s TYR 58 N 1.38 0.30 0.18 3.97 -0.85 -0.75 -0.92 117.35 120.67 1squ s TYR 58 Ca -0.01 -0.21 -0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1squ s TYR 58 Cb -0.14 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.98 1squ s TYR 58 CO -0.04 -0.05 0.20 -1.54 -1.52 0.00 0.00 175.55 172.59 1squ s SER 59 N -0.57 0.13 0.06 -0.18 1.04 -1.25 -0.54 113.70 112.40 1squ s SER 59 Ca -0.04 -1.14 -0.28 0.00 0.48 0.00 0.00 55.95 54.97 1squ s SER 59 Cb -0.04 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.57 1squ s SER 59 CO -0.00 -0.86 1.09 0.72 0.98 0.00 0.00 173.24 175.16 1squ s PHE 60 N -4.06 -0.11 1.26 5.02 -0.12 -0.99 -3.07 117.98 115.90 1squ s PHE 60 Ca 0.27 -0.09 -0.16 0.00 -0.05 0.00 0.00 56.93 56.89 1squ s PHE 60 Cb 0.05 0.59 0.30 0.00 -0.63 0.00 0.00 43.02 43.34 1squ s PHE 60 CO 0.06 -0.58 0.86 -1.13 -0.05 0.00 0.00 175.22 174.38 1squ n SER 61 N -0.44 -2.50 0.08 1.98 3.41 -1.26 -3.76 113.62 111.11 1squ n SER 61 Ca -0.07 -0.36 -0.16 0.00 -0.26 0.00 0.00 58.87 58.02 1squ n SER 61 Cb 0.61 -1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 1squ n SER 61 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1squ h SER 62 N -2.91 0.62 -0.73 4.04 0.02 -1.98 -2.26 113.55 110.35 1squ h SER 62 Ca -0.57 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 59.82 1squ h SER 62 Cb 1.33 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1squ h SER 62 CO 0.42 1.36 0.40 -0.33 -1.14 0.00 0.00 176.83 177.54 1squ h GLU 63 N 0.22 1.04 -0.00 3.45 3.07 -2.01 -2.04 114.58 118.31 1squ h GLU 63 Ca -0.12 -0.12 -0.18 0.00 -0.50 0.00 0.00 59.36 58.44 1squ h GLU 63 Cb 1.74 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 29.43 1squ h GLU 63 CO 0.19 0.77 -0.83 1.15 -1.40 0.00 0.00 179.01 178.89 1squ h THR 64 N 1.04 1.52 -0.67 1.13 2.02 -1.91 -2.90 112.91 113.13 1squ h THR 64 Ca 0.26 -2.62 0.03 0.00 0.77 0.00 0.00 66.41 64.85 1squ h THR 64 Cb 0.04 2.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1squ h THR 64 CO -0.04 0.76 0.41 0.00 0.37 0.00 0.00 175.52 177.02 1squ h ALA 65 N 1.07 0.87 0.82 6.16 0.00 -0.76 -0.66 119.26 126.76 1squ h ALA 65 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1squ h ALA 65 Cb 1.44 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1squ h ALA 65 CO 0.12 0.17 -0.39 -0.07 0.00 0.00 0.00 179.25 179.08 1squ h LEU 66 N 0.81 -0.93 -1.28 0.00 3.38 -1.34 -0.05 115.31 115.90 1squ h LEU 66 Ca 0.27 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.48 1squ h LEU 66 Cb 0.03 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1squ h LEU 66 CO -0.11 -0.62 0.63 0.11 0.09 0.00 0.00 178.44 178.53 1squ h LYS 67 N -1.17 0.51 0.80 1.13 1.57 -1.39 0.31 116.57 118.33 1squ h LYS 67 Ca -0.11 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1squ h LYS 67 Cb 0.85 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1squ h LYS 67 CO 0.18 0.34 -0.38 0.28 -0.57 0.00 0.00 179.45 179.30 1squ h VAL 68 N 0.53 0.00 -0.16 0.50 2.07 -0.74 -1.70 116.25 116.75 1squ h VAL 68 Ca 0.55 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 68.04 1squ h VAL 68 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1squ h VAL 68 CO -0.29 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 177.79 1squ h VAL 69 N -1.14 0.73 -0.78 2.57 2.07 -0.09 -0.36 116.25 119.24 1squ h VAL 69 Ca -0.11 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.61 1squ h VAL 69 Cb 0.82 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1squ h VAL 69 CO 0.18 0.00 0.55 -1.28 0.02 0.00 0.00 177.57 177.04 1squ h SER 70 N -0.07 0.16 0.18 0.57 0.87 -0.45 0.71 113.55 115.51 1squ h SER 70 Ca 0.09 0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.44 1squ h SER 70 Cb 0.21 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1squ h SER 70 CO -0.21 0.07 -0.90 0.00 -0.53 0.00 0.00 176.83 175.26 1squ h ALA 71 N 1.63 0.36 0.00 6.23 0.00 -0.12 -2.73 119.26 124.63 1squ h ALA 71 Ca 0.38 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1squ h ALA 71 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1squ h ALA 71 CO -0.06 0.76 -0.48 0.52 0.00 0.00 0.00 179.25 179.99 1squ h MET 72 N 0.32 0.00 -0.50 0.00 2.86 0.01 -2.84 114.93 114.78 1squ h MET 72 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1squ h MET 72 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1squ h MET 72 CO 0.16 0.48 0.00 -1.33 1.06 0.00 0.00 176.91 177.28 1squ n MET 73 N -3.60 0.97 0.00 1.72 2.81 -0.20 -4.86 117.12 113.96 1squ n MET 73 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1squ n MET 73 Cb 0.57 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 1squ n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1squ n GLY 74 N 0.24 2.15 0.00 3.03 0.00 -1.07 -3.67 105.19 105.87 1squ n GLY 74 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1squ n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1squ n GLY 75 N 0.00 0.11 3.52 -0.02 0.00 -1.03 -4.96 105.19 102.81 1squ n GLY 75 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 1squ n GLY 75 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1squ n MET 76 N 0.00 0.32 -0.54 1.61 -0.00 -1.24 -4.88 117.12 112.40 1squ n MET 76 Ca 0.00 0.11 -0.29 0.00 -0.00 0.00 0.00 57.70 57.52 1squ n MET 76 Cb 0.00 -1.65 0.23 0.00 -0.00 0.00 0.00 33.22 31.80 1squ n MET 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1squ n GLU 77 N 1.78 -2.01 -3.59 3.17 2.13 -1.26 -4.60 120.64 116.26 1squ n GLU 77 Ca 0.20 -0.55 -0.08 0.00 0.66 0.00 0.00 57.16 57.38 1squ n GLU 77 Cb 0.11 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 1squ n GLU 77 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1squ s TYR 78 N -2.43 -0.33 0.00 4.31 6.14 -1.26 -4.94 117.35 118.85 1squ s TYR 78 Ca 0.67 0.08 0.00 0.00 0.64 0.00 0.00 57.07 58.46 1squ s TYR 78 Cb -0.24 0.59 0.00 0.00 0.42 0.00 0.00 41.96 42.74 1squ s TYR 78 CO 0.64 -0.80 0.00 -1.71 0.64 0.00 0.00 175.55 174.32 1squ n ASN 79 N -0.37 0.00 -3.63 4.32 2.85 -1.26 -4.95 115.26 112.22 1squ n ASN 79 Ca -0.10 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.09 1squ n ASN 79 Cb 0.62 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.48 1squ n ASN 79 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1squ s GLN 80 N 0.00 0.34 -0.38 1.20 -0.21 -1.26 -5.04 119.66 114.31 1squ s GLN 80 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 54.87 1squ s GLN 80 Cb 0.00 -1.70 -0.12 0.00 1.00 0.00 0.00 33.01 32.19 1squ s GLN 80 CO 0.00 -0.83 2.34 1.28 -2.12 0.00 0.00 175.29 175.96 1squ n LEU 81 N 5.15 4.06 0.00 2.90 4.32 -1.26 -4.78 117.00 127.39 1squ n LEU 81 Ca -0.06 -2.50 0.00 0.00 -0.02 0.00 0.00 56.01 53.42 1squ n LEU 81 Cb 0.45 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 41.27 1squ n LEU 81 CO 0.09 0.83 0.00 -0.90 -1.22 0.00 0.00 177.39 176.19 1squ n ASP 82 N 3.24 -0.67 -0.00 -1.43 5.75 -1.26 -4.73 116.55 117.44 1squ n ASP 82 Ca 0.35 -0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.98 1squ n ASP 82 Cb 0.40 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1squ n ASP 82 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1squ h GLU 83 N 0.00 -0.03 -0.75 0.11 4.39 -2.01 -3.07 114.58 113.22 1squ h GLU 83 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1squ h GLU 83 Cb 0.00 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1squ h GLU 83 CO 0.00 0.47 0.49 1.25 -1.16 0.00 0.00 179.01 180.06 1squ h LEU 84 N -0.56 0.70 -0.88 1.33 5.85 -1.95 -1.15 115.31 118.64 1squ h LEU 84 Ca -0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1squ h LEU 84 Cb 0.52 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1squ h LEU 84 CO 0.01 0.45 0.51 0.00 -0.34 0.00 0.00 178.44 179.06 1squ h ALA 85 N 1.59 1.31 -0.35 1.25 0.00 -1.84 0.45 119.26 121.68 1squ h ALA 85 Ca 0.32 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1squ h ALA 85 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1squ h ALA 85 CO -0.11 0.07 -0.25 -0.07 0.00 0.00 0.00 179.25 178.90 1squ h LEU 86 N 0.80 0.70 -1.03 0.00 3.38 -1.14 -2.56 115.31 115.45 1squ h LEU 86 Ca 0.45 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1squ h LEU 86 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1squ h LEU 86 CO -0.29 0.92 -0.31 0.28 0.09 0.00 0.00 178.44 179.14 1squ h SER 87 N 0.60 0.32 0.58 -0.43 0.02 -0.40 -1.18 113.55 113.05 1squ h SER 87 Ca 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1squ h SER 87 Cb 0.73 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1squ h SER 87 CO 0.06 0.62 -0.43 0.00 -1.14 0.00 0.00 176.83 175.93 1squ h ALA 88 N 1.41 -1.17 -0.31 3.77 0.00 0.18 0.58 119.26 123.72 1squ h ALA 88 Ca 0.04 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1squ h ALA 88 Cb 0.68 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1squ h ALA 88 CO 0.05 -1.16 -0.16 0.82 0.00 0.00 0.00 179.25 178.80 1squ h ILE 89 N -0.97 0.51 -0.80 0.00 2.04 -1.41 0.84 117.51 117.73 1squ h ILE 89 Ca -0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1squ h ILE 89 Cb 0.80 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1squ h ILE 89 CO 0.03 0.00 0.52 1.23 0.00 0.00 0.00 178.15 179.93 1squ h GLY 90 N -0.12 1.06 1.00 5.37 0.00 -0.96 -1.06 103.07 108.36 1squ h GLY 90 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1squ h GLY 90 CO -0.39 0.18 -0.41 -2.09 0.00 0.00 0.00 176.54 173.84 1squ h GLU 91 N 0.75 0.71 0.11 4.80 4.57 0.20 -1.28 114.58 124.44 1squ h GLU 91 Ca 0.36 -0.44 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1squ h GLU 91 Cb 0.42 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1squ h GLU 91 CO -0.14 1.06 -0.25 1.25 -1.18 0.00 0.00 179.01 179.75 1squ h LEU 92 N 0.44 -0.72 -0.95 1.64 5.85 0.26 -0.28 115.31 121.55 1squ h LEU 92 Ca 0.02 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1squ h LEU 92 Cb 1.00 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1squ h LEU 92 CO 0.09 -0.34 0.06 1.23 -0.34 0.00 0.00 178.44 179.14 1squ h GLY 93 N -0.45 0.89 0.99 3.75 0.00 -1.25 -2.40 103.07 104.59 1squ h GLY 93 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1squ h GLY 93 CO -0.15 0.52 0.32 -0.57 0.00 0.00 0.00 176.54 176.66 1squ h ASN 94 N 0.78 0.76 -0.01 0.19 -1.24 -0.76 -0.01 115.58 115.29 1squ h ASN 94 Ca 0.16 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1squ h ASN 94 Cb 0.39 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1squ h ASN 94 CO 0.01 0.65 -0.08 0.24 -1.29 0.00 0.00 177.43 176.96 1squ h MET 95 N 0.82 0.23 0.18 6.67 2.86 -0.84 0.15 114.93 124.99 1squ h MET 95 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1squ h MET 95 Cb 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1squ h MET 95 CO -0.03 0.32 -0.09 1.15 1.06 0.00 0.00 176.91 179.32 1squ h THR 96 N 0.22 0.93 -0.31 2.22 2.02 -0.75 -1.51 112.91 115.73 1squ h THR 96 Ca 0.05 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1squ h THR 96 Cb 0.29 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1squ h THR 96 CO 0.01 0.15 0.13 0.00 0.37 0.00 0.00 175.52 176.18 1squ h ALA 97 N 0.18 1.66 -0.52 6.16 0.00 -0.77 0.58 119.26 126.54 1squ h ALA 97 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1squ h ALA 97 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1squ h ALA 97 CO 0.04 0.28 0.31 0.78 0.00 0.00 0.00 179.25 180.65 1squ h GLY 98 N 0.56 0.74 1.34 0.00 0.00 -0.36 0.38 103.07 105.72 1squ h GLY 98 Ca 0.11 -0.23 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 1squ h GLY 98 CO -0.01 0.19 -0.74 0.50 0.00 0.00 0.00 176.54 176.48 1squ h LYS 99 N 0.61 0.66 -0.70 4.80 1.57 -0.32 -2.88 116.57 120.31 1squ h LYS 99 Ca 0.21 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1squ h LYS 99 Cb 0.04 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1squ h LYS 99 CO -0.10 1.14 0.37 1.25 -0.57 0.00 0.00 179.45 181.53 1squ h LEU 100 N 0.45 0.87 -0.06 2.94 5.85 -0.43 -1.19 115.31 123.75 1squ h LEU 100 Ca -0.04 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1squ h LEU 100 Cb 1.34 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1squ h LEU 100 CO 0.14 0.71 0.03 0.00 -0.34 0.00 0.00 178.44 178.98 1squ h ALA 101 N 1.43 0.07 -0.92 1.25 0.00 -0.16 -2.05 119.26 118.89 1squ h ALA 101 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1squ h ALA 101 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1squ h ALA 101 CO -0.04 -0.39 0.54 0.52 0.00 0.00 0.00 179.25 179.88 1squ h MET 102 N -0.00 1.26 -0.15 0.00 2.86 -1.26 -2.52 114.93 115.12 1squ h MET 102 Ca 0.02 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1squ h MET 102 Cb 0.08 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1squ h MET 102 CO -0.00 0.89 -0.35 0.87 1.06 0.00 0.00 176.91 179.38 1squ h LYS 103 N 1.27 0.30 0.00 1.72 1.57 -1.09 -2.59 116.57 117.75 1squ h LYS 103 Ca 0.33 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1squ h LYS 103 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1squ h LYS 103 CO -0.06 0.62 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.94 1squ h LEU 104 N 0.26 0.00 -0.02 2.94 3.38 -1.02 -3.16 115.31 117.69 1squ h LEU 104 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1squ h LEU 104 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1squ h LEU 104 CO 0.06 0.42 0.01 -0.08 0.09 0.00 0.00 178.44 178.94 1squ h GLU 105 N 0.00 0.03 -0.57 1.13 4.57 -1.03 1.62 114.58 120.33 1squ h GLU 105 Ca -0.00 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1squ h GLU 105 Cb 0.91 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.41 1squ h GLU 105 CO 0.06 0.21 0.14 0.45 -1.18 0.00 0.00 179.01 178.69 1squ h HIS 106 N -0.15 0.22 0.00 0.92 3.86 -1.49 0.43 115.15 118.94 1squ h HIS 106 Ca 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1squ h HIS 106 Cb 0.19 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1squ h HIS 106 CO -0.01 -0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.06 1squ n LEU 107 N -5.10 0.00 0.00 2.43 4.32 -1.15 -4.83 117.00 112.67 1squ n LEU 107 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1squ n LEU 107 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1squ n LEU 107 CO 0.19 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1squ n GLY 108 N 0.36 0.69 3.40 -0.72 0.00 0.15 -5.05 105.19 104.03 1squ n GLY 108 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1squ n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1squ s LYS 109 N -0.86 3.07 -0.66 1.61 -0.14 0.55 -4.92 119.74 118.39 1squ s LYS 109 Ca 0.00 -1.15 -0.24 0.00 -1.36 0.00 0.00 55.97 53.22 1squ s LYS 109 Cb 0.00 -4.19 0.06 0.00 -1.68 0.00 0.00 37.83 32.02 1squ s LYS 109 CO 0.00 -1.37 1.04 -1.01 -0.76 0.00 0.00 175.35 173.25 1squ s HIS 110 N 2.57 2.59 0.21 3.18 3.76 -1.26 -2.19 115.29 124.16 1squ s HIS 110 Ca 0.12 -0.35 0.11 0.00 -0.15 0.00 0.00 55.06 54.80 1squ s HIS 110 Cb -0.22 -4.35 -0.05 0.00 1.11 0.00 0.00 32.58 29.08 1squ s HIS 110 CO 0.09 -1.71 -0.21 0.14 -0.85 0.00 0.00 174.74 172.19 1squ s VAL 111 N 4.46 2.24 -0.05 -0.90 -7.23 -1.26 -1.29 120.40 116.36 1squ s VAL 111 Ca 0.27 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1squ s VAL 111 Cb -0.14 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1squ s VAL 111 CO 0.13 -0.27 -0.25 -1.81 -0.31 0.00 0.00 175.10 172.59 1squ s ASP 112 N -2.96 3.03 -0.10 4.85 1.11 -0.66 -4.95 116.67 116.99 1squ s ASP 112 Ca 0.22 -0.50 -0.10 0.00 0.18 0.00 0.00 52.55 52.35 1squ s ASP 112 Cb -0.06 -0.75 -0.05 0.00 1.07 0.00 0.00 42.92 43.13 1squ s ASP 112 CO 0.10 0.25 0.22 -0.63 1.18 0.00 0.00 175.17 176.30 1squ s ILE 113 N -0.23 5.36 0.42 0.77 1.09 -1.26 -1.36 121.20 125.98 1squ s ILE 113 Ca -0.01 0.41 -0.04 0.00 -1.10 0.00 0.00 60.65 59.90 1squ s ILE 113 Cb -0.13 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 1squ s ILE 113 CO 0.03 0.56 0.70 0.28 -0.10 0.00 0.00 174.94 176.41 1squ s THR 114 N -0.69 4.95 0.79 2.92 -1.32 -0.82 -5.01 115.64 116.46 1squ s THR 114 Ca 0.17 0.08 -0.11 0.00 -1.21 0.00 0.00 61.69 60.62 1squ s THR 114 Cb -0.13 -3.83 0.07 0.00 -1.51 0.00 0.00 72.50 67.09 1squ s THR 114 CO 0.06 -0.68 1.11 -2.84 -2.21 0.00 0.00 174.62 170.06 1squ s PRO 115 N -4.38 2.08 0.56 7.08 0.02 -1.26 -4.48 135.00 134.62 1squ s PRO 115 Ca 0.46 1.27 -0.10 0.00 0.02 0.00 0.00 61.00 62.65 1squ s PRO 115 Cb -0.10 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1squ s PRO 115 CO 0.39 -1.79 0.94 -1.25 -0.33 0.00 0.00 177.00 174.97 1squ s PRO 116 N -4.77 3.61 -0.20 5.54 0.04 -1.26 -4.58 135.00 133.38 1squ s PRO 116 Ca 0.63 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1squ s PRO 116 Cb -0.19 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.24 1squ s PRO 116 CO 0.55 -0.42 0.05 -0.08 0.04 0.00 0.00 177.00 177.14 1squ s THR 117 N -2.99 0.43 -0.22 1.26 -1.32 -0.97 -5.01 115.64 106.82 1squ s THR 117 Ca 0.53 -0.58 -0.17 0.00 -1.21 0.00 0.00 61.69 60.26 1squ s THR 117 Cb -0.11 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1squ s THR 117 CO 0.49 -0.28 0.47 -0.69 -2.21 0.00 0.00 174.62 172.40 1squ s VAL 118 N 1.89 5.13 0.03 5.08 1.01 -1.26 -2.14 120.40 130.14 1squ s VAL 118 Ca 0.01 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.87 1squ s VAL 118 Cb -0.17 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1squ s VAL 118 CO -0.11 0.17 -0.11 -0.69 0.00 0.00 0.00 175.10 174.36 1squ s VAL 119 N 1.76 3.28 -0.11 2.92 1.01 0.92 -5.00 120.40 125.18 1squ s VAL 119 Ca 0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1squ s VAL 119 Cb -0.15 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1squ s VAL 119 CO 0.09 0.33 0.25 -0.94 0.00 0.00 0.00 175.10 174.83 1squ s SER 120 N -1.54 -0.20 0.21 3.32 1.04 -1.26 -0.52 113.70 114.75 1squ s SER 120 Ca 0.17 0.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.03 1squ s SER 120 Cb -0.11 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1squ s SER 120 CO 0.08 -0.17 0.51 0.61 0.98 0.00 0.00 173.24 175.25 1squ n GLY 121 N 4.34 1.27 0.00 7.32 0.00 -0.81 -5.02 105.19 112.29 1squ n GLY 121 Ca -0.24 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1squ n GLY 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1squ n ARG 122 N -0.35 0.00 -2.20 1.61 0.63 -1.26 -4.53 116.66 110.56 1squ n ARG 122 Ca -0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 1squ n ARG 122 Cb 0.36 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.23 1squ n ARG 122 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1squ s ASP 123 N -1.00 5.54 -0.09 6.15 3.68 -1.26 -4.75 116.67 124.94 1squ s ASP 123 Ca 0.00 -0.41 -0.07 0.00 2.13 0.00 0.00 52.55 54.20 1squ s ASP 123 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 42.92 38.88 1squ s ASP 123 CO 0.00 -2.30 0.18 -0.76 0.13 0.00 0.00 175.17 172.42 1squ s LEU 124 N 8.34 4.40 -0.03 -1.34 1.43 -1.26 -5.09 118.68 125.12 1squ s LEU 124 Ca 0.60 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 1squ s LEU 124 Cb -0.08 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1squ s LEU 124 CO 0.08 0.38 0.06 -0.54 0.23 0.00 0.00 176.35 176.55 1squ s LYS 125 N -1.16 0.04 0.18 1.70 1.02 -1.26 -4.47 119.74 115.79 1squ s LYS 125 Ca 0.18 0.15 0.10 0.00 0.02 0.00 0.00 55.97 56.41 1squ s LYS 125 Cb -0.13 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1squ s LYS 125 CO 0.07 -0.07 -0.21 -1.50 -0.92 0.00 0.00 175.35 172.72 1squ s ILE 126 N 0.47 2.06 -0.20 2.17 2.07 -1.26 -5.12 121.20 121.39 1squ s ILE 126 Ca -0.04 -1.97 -0.03 0.00 -1.41 0.00 0.00 60.65 57.21 1squ s ILE 126 Cb -0.05 -1.97 0.06 0.00 0.13 0.00 0.00 42.46 40.63 1squ s ILE 126 CO -0.02 -0.22 0.03 -0.75 -1.91 0.00 0.00 174.94 172.07 1squ s LYS 127 N -2.73 0.71 0.38 3.50 2.36 -1.26 -4.62 119.74 118.08 1squ s LYS 127 Ca 0.18 -0.49 0.08 0.00 -2.55 0.00 0.00 55.97 53.19 1squ s LYS 127 Cb -0.07 -2.13 -0.04 0.00 -1.05 0.00 0.00 37.83 34.54 1squ s LYS 127 CO 0.08 -0.66 0.20 -1.12 1.55 0.00 0.00 175.35 175.41 1squ s SER 128 N 1.82 4.70 0.11 1.43 0.01 -1.26 -5.15 113.70 115.36 1squ s SER 128 Ca -0.01 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.49 1squ s SER 128 Cb -0.17 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1squ s SER 128 CO -0.09 -0.44 -0.20 -0.36 0.41 0.00 0.00 173.24 172.56 1squ s PHE 129 N -2.48 1.76 0.00 2.43 0.40 -1.26 -5.06 117.98 113.76 1squ s PHE 129 Ca 0.41 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1squ s PHE 129 Cb -0.01 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1squ s PHE 129 CO 0.24 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.78 1squ n GLY 130 N 1.00 -1.22 3.65 4.36 0.00 -1.26 -3.69 105.19 108.03 1squ n GLY 130 Ca -0.19 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1squ n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1squ s VAL 131 N 0.00 4.99 -0.42 1.61 0.11 -0.80 -4.73 120.40 121.17 1squ s VAL 131 Ca 0.00 1.21 -0.25 0.00 -2.93 0.00 0.00 61.98 60.01 1squ s VAL 131 Cb 0.00 -3.96 0.02 0.00 -1.53 0.00 0.00 36.38 30.91 1squ s VAL 131 CO 0.00 0.07 0.89 -0.63 -3.33 0.00 0.00 175.10 172.10 1squ s ILE 132 N 2.15 4.56 -0.00 7.04 1.01 -1.26 -2.04 121.20 132.65 1squ s ILE 132 Ca 0.29 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 1squ s ILE 132 Cb -0.16 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 1squ s ILE 132 CO 0.10 -0.67 0.42 -0.22 0.00 0.00 0.00 174.94 174.56 1squ s LEU 133 N 3.53 4.46 -0.14 2.97 2.96 -0.47 -1.11 118.68 130.88 1squ s LEU 133 Ca 0.36 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 1squ s LEU 133 Cb -0.11 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 1squ s LEU 133 CO 0.22 0.30 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.64 1squ s LYS 134 N -0.96 3.21 -0.26 1.98 2.20 0.38 -0.63 119.74 125.65 1squ s LYS 134 Ca 0.24 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 1squ s LYS 134 Cb -0.17 -2.57 0.06 0.00 -1.51 0.00 0.00 37.83 33.64 1squ s LYS 134 CO 0.13 0.06 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.92 1squ s LEU 135 N 0.69 3.45 0.22 5.43 2.96 -0.88 -1.19 118.68 129.35 1squ s LEU 135 Ca -0.08 -1.42 -0.30 0.00 -0.22 0.00 0.00 54.13 52.11 1squ s LEU 135 Cb -0.16 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.92 1squ s LEU 135 CO 0.02 -0.20 1.34 -2.16 -1.32 0.00 0.00 176.35 174.03 1squ s PRO 136 N 1.11 4.36 -0.03 0.98 0.04 -1.26 -3.65 135.00 136.55 1squ s PRO 136 Ca -0.08 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1squ s PRO 136 Cb -0.20 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1squ s PRO 136 CO -0.05 -0.29 -0.01 0.42 0.04 0.00 0.00 177.00 177.10 1squ s ILE 137 N 0.04 0.28 -0.22 0.56 1.01 -1.12 0.10 121.20 121.86 1squ s ILE 137 Ca 0.57 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.24 1squ s ILE 137 Cb -0.38 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 41.78 1squ s ILE 137 CO 0.40 0.16 -0.14 -0.44 0.00 0.00 0.00 174.94 174.92 1squ s SER 138 N 0.87 3.83 0.00 3.58 0.01 -1.11 -2.24 113.70 118.65 1squ s SER 138 Ca -0.10 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1squ s SER 138 Cb -0.13 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1squ s SER 138 CO -0.01 -0.09 0.00 0.52 0.41 0.00 0.00 173.24 174.07 1squ n VAL 139 N 4.58 0.00 -0.12 3.43 0.31 -1.26 -1.71 118.33 123.55 1squ n VAL 139 Ca -0.18 0.34 -0.25 0.00 -0.01 0.00 0.00 64.34 64.24 1squ n VAL 139 Cb 0.47 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 1squ n VAL 139 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1squ n PHE 140 N -2.31 0.00 -2.99 3.52 3.01 -1.26 -4.91 117.46 112.52 1squ n PHE 140 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1squ n PHE 140 Cb 0.00 -0.86 0.06 0.00 -0.01 0.00 0.00 39.48 38.67 1squ n PHE 140 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1squ s SER 141 N -7.11 5.12 -0.39 4.37 0.15 -1.26 -5.03 113.70 109.54 1squ s SER 141 Ca -0.35 -0.74 -0.29 0.00 0.70 0.00 0.00 55.95 55.28 1squ s SER 141 Cb 0.12 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1squ s SER 141 CO 0.44 -1.30 1.17 -0.70 1.20 0.00 0.00 173.24 174.05 1squ s GLU 142 N -4.66 3.85 -0.84 5.44 2.56 -1.26 -3.94 118.70 119.85 1squ s GLU 142 Ca 0.61 0.87 -0.03 0.00 0.00 0.00 0.00 54.97 56.42 1squ s GLU 142 Cb -0.06 -3.86 -0.01 0.00 2.00 0.00 0.00 34.13 32.20 1squ s GLU 142 CO 0.39 -1.20 0.72 0.39 -0.56 0.00 0.00 175.26 174.99 1squ n GLU 143 N 7.47 -1.46 0.00 4.30 1.02 -1.24 -4.92 120.64 125.80 1squ n GLU 143 Ca 0.13 1.17 0.11 0.00 -0.02 0.00 0.00 57.16 58.55 1squ n GLU 143 Cb 0.48 -4.92 0.07 0.00 -0.02 0.00 0.00 31.44 27.06 1squ n GLU 143 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1squ n ASP 144 N -2.21 1.48 -4.05 1.62 3.85 -0.95 -4.79 116.55 111.51 1squ n ASP 144 Ca -0.08 -1.18 -0.32 0.00 -0.71 0.00 0.00 54.79 52.51 1squ n ASP 144 Cb 0.56 0.50 -0.15 0.00 -1.35 0.00 0.00 41.12 40.67 1squ n ASP 144 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1squ s PHE 145 N -2.63 2.90 -0.67 2.11 2.99 -1.04 -4.47 117.98 117.16 1squ s PHE 145 Ca 0.17 -1.98 -0.09 0.00 0.00 0.00 0.00 56.93 55.03 1squ s PHE 145 Cb 0.18 -1.83 0.17 0.00 0.00 0.00 0.00 43.02 41.55 1squ s PHE 145 CO 0.63 -0.83 0.55 0.16 -0.00 0.00 0.00 175.22 175.73 1squ s ASP 146 N 1.23 5.92 0.26 1.36 -4.77 -1.17 -2.77 116.67 116.73 1squ s ASP 146 Ca -0.04 -2.59 -0.13 0.00 -3.30 0.00 0.00 52.55 46.48 1squ s ASP 146 Cb -0.18 -2.03 -0.08 0.00 -1.09 0.00 0.00 42.92 39.55 1squ s ASP 146 CO -0.07 -0.52 0.64 -0.22 0.70 0.00 0.00 175.17 175.70 1squ s LEU 147 N 0.32 4.14 0.05 2.11 0.20 -1.24 -3.86 118.68 120.41 1squ s LEU 147 Ca 0.15 1.11 0.00 0.00 0.69 0.00 0.00 54.13 56.08 1squ s LEU 147 Cb -0.18 -3.83 -0.03 0.00 -0.43 0.00 0.00 46.19 41.72 1squ s LEU 147 CO -0.05 -0.11 -0.04 -1.00 -0.29 0.00 0.00 176.35 174.85 1squ s HIS 148 N -1.85 0.57 -0.23 5.38 3.76 -0.09 -2.08 115.29 120.74 1squ s HIS 148 Ca 0.50 -0.87 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1squ s HIS 148 Cb -0.11 -0.38 0.08 0.00 1.11 0.00 0.00 32.58 33.28 1squ s HIS 148 CO 0.19 -0.26 0.12 -1.17 -0.85 0.00 0.00 174.74 172.77 1squ s LEU 149 N -2.53 0.39 0.11 0.89 2.96 0.20 -1.68 118.68 119.02 1squ s LEU 149 Ca 0.02 -0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 52.82 1squ s LEU 149 Cb 0.02 -0.24 -0.07 0.00 0.50 0.00 0.00 46.19 46.40 1squ s LEU 149 CO -0.06 -0.39 0.63 -0.44 -1.32 0.00 0.00 176.35 174.77 1squ s SER 150 N 2.14 7.14 -0.37 3.68 0.01 -0.84 -1.36 113.70 124.10 1squ s SER 150 Ca 0.06 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1squ s SER 150 Cb -0.16 -2.40 0.12 0.00 0.21 0.00 0.00 66.02 63.80 1squ s SER 150 CO -0.22 0.24 0.18 -0.69 0.41 0.00 0.00 173.24 173.16 1squ s VAL 151 N -1.15 0.79 0.05 3.43 1.01 -0.87 -1.22 120.40 122.44 1squ s VAL 151 Ca 0.32 -1.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 1squ s VAL 151 Cb -0.20 -1.57 -0.14 0.00 0.00 0.00 0.00 36.38 34.46 1squ s VAL 151 CO 0.21 -0.85 1.52 0.50 0.00 0.00 0.00 175.10 176.48 1squ h LYS 152 N 7.33 0.16 -3.60 2.72 1.63 -1.36 -2.12 116.57 121.33 1squ h LYS 152 Ca -0.04 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.58 1squ h LYS 152 Cb 0.97 -0.02 -0.19 0.00 -0.60 0.00 0.00 32.23 32.39 1squ h LYS 152 CO 0.42 0.37 -0.49 -1.54 -3.45 0.00 0.00 179.45 174.76 1squ s SER 153 N -5.60 0.07 0.00 4.20 1.04 -0.98 -4.81 113.70 107.62 1squ s SER 153 Ca -0.14 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1squ s SER 153 Cb 0.05 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1squ s SER 153 CO 0.69 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.09