#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1squ n ASP 2 N 0.00 1.51 0.08 6.12 -0.08 -1.26 -4.77 116.55 118.15 1squ n ASP 2 Ca 0.00 -0.05 0.21 0.00 -1.51 0.00 0.00 54.79 53.44 1squ n ASP 2 Cb 0.00 -1.26 0.70 0.00 2.34 0.00 0.00 41.12 42.90 1squ n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1squ h ALA 3 N 15.18 2.15 0.00 -1.67 0.00 -2.05 1.64 119.26 134.52 1squ h ALA 3 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1squ h ALA 3 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1squ h ALA 3 CO 1.21 -0.78 0.00 -0.09 0.00 0.00 0.00 179.25 179.60 1squ h ARG 4 N 0.00 0.00 0.00 0.00 2.43 -1.99 0.13 114.38 114.95 1squ h ARG 4 Ca 0.21 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.07 1squ h ARG 4 Cb 1.30 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1squ h ARG 4 CO -0.00 0.00 -1.69 -0.89 -1.51 0.00 0.00 179.97 175.88 1squ n ILE 5 N -2.56 1.54 -0.19 1.20 5.41 0.56 -3.27 119.36 122.05 1squ n ILE 5 Ca -0.01 -0.16 0.19 0.00 1.00 0.00 0.00 62.75 63.78 1squ n ILE 5 Cb 0.13 -1.98 0.55 0.00 -0.71 0.00 0.00 39.64 37.63 1squ n ILE 5 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1squ h VAL 6 N -0.97 0.71 0.67 1.39 2.07 -1.35 0.19 116.25 118.96 1squ h VAL 6 Ca -0.47 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1squ h VAL 6 Cb 1.42 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1squ h VAL 6 CO -0.27 0.06 -0.44 -1.13 0.02 0.00 0.00 177.57 175.81 1squ h ASN 7 N 0.33 -1.12 -0.07 0.57 -0.00 -1.11 -0.48 115.58 113.70 1squ h ASN 7 Ca 0.42 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.78 1squ h ASN 7 Cb 1.11 0.34 -0.01 0.00 -0.00 0.00 0.00 38.32 39.76 1squ h ASN 7 CO -0.13 -0.67 0.03 0.00 -0.00 0.00 0.00 177.43 176.67 1squ h ALA 8 N -0.86 1.86 0.44 1.57 0.00 -0.72 -2.50 119.26 119.05 1squ h ALA 8 Ca -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1squ h ALA 8 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1squ h ALA 8 CO 0.07 0.11 -0.21 1.25 0.00 0.00 0.00 179.25 180.47 1squ h LEU 9 N 0.14 -0.50 -1.36 0.00 5.85 -0.38 -1.32 115.31 117.73 1squ h LEU 9 Ca 0.04 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1squ h LEU 9 Cb 0.05 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1squ h LEU 9 CO -0.00 -0.11 0.53 0.40 -0.34 0.00 0.00 178.44 178.91 1squ h ILE 10 N -1.09 0.90 -0.29 4.05 2.04 -1.09 0.14 117.51 122.17 1squ h ILE 10 Ca -0.06 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1squ h ILE 10 Cb 0.45 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1squ h ILE 10 CO 0.10 0.12 -0.27 1.23 0.00 0.00 0.00 178.15 179.33 1squ h GLY 11 N 0.67 0.75 0.79 5.37 0.00 -1.52 0.73 103.07 109.88 1squ h GLY 11 Ca 0.39 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1squ h GLY 11 CO -0.15 0.69 -0.32 1.76 0.00 0.00 0.00 176.54 178.51 1squ h SER 12 N 0.43 -0.83 0.25 0.19 0.02 0.10 0.52 113.55 114.23 1squ h SER 12 Ca 0.05 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1squ h SER 12 Cb 0.84 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1squ h SER 12 CO 0.07 -0.49 -0.45 0.58 -1.14 0.00 0.00 176.83 175.40 1squ h VAL 13 N -0.77 0.11 -0.04 2.27 2.07 -0.82 -0.43 116.25 118.65 1squ h VAL 13 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1squ h VAL 13 Cb 0.64 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1squ h VAL 13 CO 0.02 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.76 1squ h TYR 14 N -0.77 -0.22 0.00 1.57 5.03 -0.64 0.69 116.97 122.62 1squ h TYR 14 Ca -0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1squ h TYR 14 Cb 0.74 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.12 1squ h TYR 14 CO -0.33 -0.06 0.20 0.93 -1.32 0.00 0.00 178.16 177.58 1squ h GLU 15 N -0.06 0.00 0.00 1.82 5.08 0.13 -2.00 114.58 119.57 1squ h GLU 15 Ca 0.01 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.94 1squ h GLU 15 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1squ h GLU 15 CO -0.07 0.00 -2.37 2.41 -1.00 0.00 0.00 179.01 177.98 1squ n THR 16 N -2.43 1.53 0.64 1.13 -1.04 -0.18 -2.91 114.28 111.02 1squ n THR 16 Ca -0.02 -0.37 0.05 0.00 -2.04 0.00 0.00 64.05 61.67 1squ n THR 16 Cb 0.24 -1.84 0.27 0.00 -1.82 0.00 0.00 70.33 67.18 1squ n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1squ n ILE 17 N -4.13 0.00 -0.12 12.58 3.06 0.23 -1.68 119.36 129.30 1squ n ILE 17 Ca -0.50 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 59.51 1squ n ILE 17 Cb 0.88 -0.79 -0.08 0.00 0.54 0.00 0.00 39.64 40.19 1squ n ILE 17 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1squ n ARG 18 N -0.95 0.53 0.07 9.51 0.00 -0.77 -3.88 116.66 121.17 1squ n ARG 18 Ca 0.07 0.23 -0.10 0.00 -0.00 0.00 0.00 57.85 58.05 1squ n ARG 18 Cb 0.03 -1.40 -0.12 0.00 0.00 0.00 0.00 32.46 30.97 1squ n ARG 18 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1squ h ASP 19 N -0.92 0.14 0.65 6.15 3.32 -1.37 0.38 116.42 124.78 1squ h ASP 19 Ca -0.51 -0.14 -0.27 0.00 0.02 0.00 0.00 57.03 56.12 1squ h ASP 19 Cb 1.43 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1squ h ASP 19 CO -0.31 1.11 -1.30 0.58 -1.72 0.00 0.00 179.24 177.59 1squ h VAL 20 N 0.03 1.41 -0.01 -1.35 2.07 -1.60 -3.33 116.25 113.46 1squ h VAL 20 Ca -0.05 -3.04 0.00 0.00 0.82 0.00 0.00 66.70 64.43 1squ h VAL 20 Cb 1.82 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 1squ h VAL 20 CO 0.15 0.87 -0.12 0.18 0.02 0.00 0.00 177.57 178.66 1squ n LEU 21 N -3.44 1.92 0.00 2.57 4.77 -1.25 -4.66 117.00 116.90 1squ n LEU 21 Ca -0.09 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1squ n LEU 21 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1squ n LEU 21 CO 0.51 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1squ n GLY 22 N 0.93 0.14 3.24 -0.72 0.00 0.13 -4.94 105.19 103.97 1squ n GLY 22 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.34 1.80 0.00 -0.61 -4.36 -1.07 -4.95 121.20 110.68 1squ s ILE 23 Ca 0.00 -0.95 -0.26 0.00 -0.26 0.00 0.00 60.65 59.17 1squ s ILE 23 Cb 0.00 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1squ s ILE 23 CO 0.00 0.51 0.83 -1.61 0.24 0.00 0.00 174.94 174.90 1squ s GLU 24 N -0.32 4.52 0.44 0.37 2.02 -1.26 -3.51 118.70 120.96 1squ s GLU 24 Ca 0.03 1.15 0.08 0.00 0.02 0.00 0.00 54.97 56.24 1squ s GLU 24 Cb -0.11 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 1squ s GLU 24 CO 0.01 0.12 0.43 -1.25 0.02 0.00 0.00 175.26 174.58 1squ s PRO 25 N 0.51 2.52 -0.31 0.39 0.04 -1.26 -5.00 135.00 131.89 1squ s PRO 25 Ca 0.43 -1.56 -0.10 0.00 0.04 0.00 0.00 61.00 59.81 1squ s PRO 25 Cb -0.20 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1squ s PRO 25 CO 0.24 -0.28 0.15 0.15 0.04 0.00 0.00 177.00 177.29 1squ s LYS 26 N -4.20 3.38 -0.15 4.56 1.02 -0.89 -4.96 119.74 118.50 1squ s LYS 26 Ca 0.48 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1squ s LYS 26 Cb -0.04 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1squ s LYS 26 CO 0.28 -0.39 0.84 0.95 -0.92 0.00 0.00 175.35 176.11 1squ s THR 27 N 1.62 4.88 0.00 2.17 -4.23 -1.26 -1.88 115.64 116.94 1squ s THR 27 Ca 0.05 1.66 0.00 0.00 -1.18 0.00 0.00 61.69 62.22 1squ s THR 27 Cb -0.17 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.52 1squ s THR 27 CO 0.06 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1squ n GLY 28 N 3.40 -2.11 3.03 3.99 0.00 0.16 -5.00 105.19 108.66 1squ n GLY 28 Ca 0.04 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 2.30 0.03 1.61 2.20 -1.26 -4.90 119.74 119.71 1squ s LYS 29 Ca 0.00 -0.57 -0.37 0.00 -0.36 0.00 0.00 55.97 54.67 1squ s LYS 29 Cb 0.00 -2.06 -0.16 0.00 -1.51 0.00 0.00 37.83 34.10 1squ s LYS 29 CO 0.00 -0.19 1.43 -2.30 -0.36 0.00 0.00 175.35 173.93 1squ n PRO 30 N 4.61 1.21 -4.31 4.03 -0.02 -1.26 -4.62 135.00 134.64 1squ n PRO 30 Ca -0.18 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.53 1squ n PRO 30 Cb 0.50 -2.10 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.06 2.53 -0.19 2.55 0.15 0.19 -4.96 113.70 115.03 1squ s SER 31 Ca 0.87 -0.83 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1squ s SER 31 Cb -0.96 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1squ s SER 31 CO 0.50 -0.05 -0.05 -0.89 1.20 0.00 0.00 173.24 173.94 1squ s THR 32 N -1.97 3.48 0.20 6.45 2.01 -1.26 0.11 115.64 124.65 1squ s THR 32 Ca 0.13 -0.48 0.11 0.00 0.31 0.00 0.00 61.69 61.76 1squ s THR 32 Cb -0.06 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1squ s THR 32 CO 0.06 0.46 -0.22 0.68 -0.69 0.00 0.00 174.62 174.90 1squ s VAL 33 N 0.97 2.22 -0.72 3.82 -7.23 -1.10 -4.94 120.40 113.42 1squ s VAL 33 Ca -0.00 -2.05 0.26 0.00 -1.81 0.00 0.00 61.98 58.38 1squ s VAL 33 Cb -0.15 -2.07 0.22 0.00 0.56 0.00 0.00 36.38 34.94 1squ s VAL 33 CO 0.01 -0.21 1.65 -1.54 -0.31 0.00 0.00 175.10 174.70 1squ n SER 34 N 0.17 0.76 -3.65 4.85 3.41 -1.26 -4.27 113.62 113.63 1squ n SER 34 Ca -0.12 0.44 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1squ n SER 34 Cb 0.57 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1squ n SER 34 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1squ s HIS 35 N -3.11 -0.04 -0.41 7.33 0.00 -1.26 -5.04 115.29 112.75 1squ s HIS 35 Ca 0.10 -0.15 -0.17 0.00 -3.00 0.00 0.00 55.06 51.83 1squ s HIS 35 Cb 0.13 0.59 0.02 0.00 -4.00 0.00 0.00 32.58 29.32 1squ s HIS 35 CO 0.63 -0.50 0.45 0.42 -1.00 0.00 0.00 174.74 174.74 1squ s ILE 36 N -2.59 5.07 -0.47 -5.38 1.01 -1.26 -5.03 121.20 112.55 1squ s ILE 36 Ca 0.16 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 1squ s ILE 36 Cb 0.02 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.50 1squ s ILE 36 CO -0.01 -0.40 0.61 -1.61 0.00 0.00 0.00 174.94 173.54 1squ s GLU 37 N 2.19 3.19 -0.61 2.79 0.41 -1.26 -4.52 118.70 120.88 1squ s GLU 37 Ca 0.13 -0.64 -0.28 0.00 -0.41 0.00 0.00 54.97 53.77 1squ s GLU 37 Cb -0.17 -4.02 0.02 0.00 -1.78 0.00 0.00 34.13 28.19 1squ s GLU 37 CO 0.14 -1.09 1.34 0.42 -0.49 0.00 0.00 175.26 175.58 1squ s ILE 38 N 2.68 3.82 -2.18 -1.63 1.01 -1.26 -4.90 121.20 118.73 1squ s ILE 38 Ca 0.18 0.65 0.18 0.00 0.00 0.00 0.00 60.65 61.67 1squ s ILE 38 Cb -0.17 -4.62 0.43 0.00 0.01 0.00 0.00 42.46 38.12 1squ s ILE 38 CO 0.15 -1.38 1.52 -0.81 0.00 0.00 0.00 174.94 174.42 1squ n PRO 39 N 8.80 1.58 -3.29 2.79 -0.04 -1.26 -4.85 135.00 138.73 1squ n PRO 39 Ca 0.09 -0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 62.55 1squ n PRO 39 Cb 0.49 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1squ n PRO 39 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1squ n HIS 40 N 0.12 -0.36 0.16 0.54 8.25 -1.26 -5.00 115.22 117.67 1squ n HIS 40 Ca 0.15 -1.59 0.07 0.00 -0.26 0.00 0.00 57.72 56.08 1squ n HIS 40 Cb 0.27 0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 1squ n HIS 40 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1squ n SER 41 N -2.16 1.58 -4.26 0.41 7.64 -1.24 -4.74 113.62 110.85 1squ n SER 41 Ca 0.03 -0.21 -0.34 0.00 1.01 0.00 0.00 58.87 59.36 1squ n SER 41 Cb 0.35 1.45 -0.15 0.00 -1.01 0.00 0.00 64.21 64.85 1squ n SER 41 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1squ s LEU 42 N -3.58 2.58 0.17 -3.43 1.43 -0.47 -2.80 118.68 112.58 1squ s LEU 42 Ca -0.02 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1squ s LEU 42 Cb 0.09 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1squ s LEU 42 CO 0.55 0.04 -0.22 0.68 0.23 0.00 0.00 176.35 177.63 1squ s VAL 43 N 1.07 2.49 -0.13 -1.59 -7.23 -0.72 -0.87 120.40 113.41 1squ s VAL 43 Ca -0.00 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1squ s VAL 43 Cb -0.15 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1squ s VAL 43 CO -0.03 -0.05 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.69 1squ s THR 44 N -1.49 1.45 -0.13 5.32 2.01 -0.48 -1.66 115.64 120.65 1squ s THR 44 Ca 0.20 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1squ s THR 44 Cb -0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1squ s THR 44 CO 0.10 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 1squ s VAL 45 N 1.42 3.37 -0.02 3.82 1.01 -0.66 -1.76 120.40 127.57 1squ s VAL 45 Ca 0.02 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1squ s VAL 45 Cb -0.13 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1squ s VAL 45 CO -0.08 0.52 -0.06 -0.63 0.00 0.00 0.00 175.10 174.85 1squ s ILE 46 N 0.24 0.53 0.19 2.22 1.01 -0.50 -1.51 121.20 123.38 1squ s ILE 46 Ca -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1squ s ILE 46 Cb -0.15 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1squ s ILE 46 CO 0.04 0.19 0.25 -0.83 0.00 0.00 0.00 174.94 174.59 1squ s GLY 47 N 0.39 1.53 -0.05 6.18 0.00 -1.26 0.39 107.32 114.49 1squ s GLY 47 Ca -0.05 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1squ s GLY 47 CO 0.00 -1.21 -0.18 -0.42 0.00 0.00 0.00 173.10 171.29 1squ s ILE 48 N -1.88 1.48 0.19 0.90 1.01 -0.07 -1.75 121.20 121.08 1squ s ILE 48 Ca 0.33 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1squ s ILE 48 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1squ s ILE 48 CO 0.27 0.43 -0.03 0.42 0.00 0.00 0.00 174.94 176.03 1squ s THR 49 N 0.09 0.94 0.00 2.92 -4.23 -0.72 -2.20 115.64 112.44 1squ s THR 49 Ca -0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1squ s THR 49 Cb -0.12 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1squ s THR 49 CO 0.03 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1squ n GLY 50 N -0.30 0.84 0.29 3.99 0.00 -1.26 0.10 105.19 108.86 1squ n GLY 50 Ca -0.07 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.84 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 1.28 -3.60 -0.02 0.00 0.24 -3.42 103.07 97.55 1squ h GLY 51 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 47.33 46.75 1squ h GLY 51 CO 0.00 -0.07 -0.75 -0.26 0.00 0.00 0.00 176.54 175.47 1squ s ILE 52 N -5.99 1.17 -0.18 2.60 -4.36 -1.26 -4.96 121.20 108.22 1squ s ILE 52 Ca -0.12 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1squ s ILE 52 Cb 0.21 -1.48 0.03 0.00 1.25 0.00 0.00 42.46 42.48 1squ s ILE 52 CO 0.77 -0.49 -0.12 -1.61 0.24 0.00 0.00 174.94 173.74 1squ s GLU 53 N -2.77 2.12 0.00 0.37 2.02 -1.26 -2.93 118.70 116.25 1squ s GLU 53 Ca 0.08 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1squ s GLU 53 Cb -0.04 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1squ s GLU 53 CO 0.02 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.35 1squ n GLY 54 N 4.72 1.28 3.37 -1.39 0.00 -0.93 0.25 105.19 112.50 1squ n GLY 54 Ca -0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 2.00 0.37 -0.13 1.61 1.04 -0.64 -0.89 113.70 117.06 1squ s SER 55 Ca 0.00 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.11 1squ s SER 55 Cb 0.00 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1squ s SER 55 CO 0.00 -1.03 -0.03 -0.22 0.98 0.00 0.00 173.24 172.94 1squ s LEU 56 N -3.15 1.12 -0.35 2.42 2.96 0.16 -3.13 118.68 118.71 1squ s LEU 56 Ca 0.33 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1squ s LEU 56 Cb 0.03 -0.70 0.10 0.00 0.50 0.00 0.00 46.19 46.12 1squ s LEU 56 CO 0.14 -0.19 0.07 -0.63 -1.32 0.00 0.00 176.35 174.43 1squ s ILE 57 N 1.79 2.06 0.13 6.68 1.01 -0.33 -1.41 121.20 131.13 1squ s ILE 57 Ca 0.03 -2.27 -0.30 0.00 0.00 0.00 0.00 60.65 58.11 1squ s ILE 57 Cb -0.14 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 1squ s ILE 57 CO -0.07 -0.63 1.00 -0.31 0.00 0.00 0.00 174.94 174.93 1squ s TYR 58 N 0.92 3.75 -0.11 3.97 2.02 -0.73 -2.44 117.35 124.75 1squ s TYR 58 Ca 0.11 1.74 0.02 0.00 -0.37 0.00 0.00 57.07 58.58 1squ s TYR 58 Cb -0.19 -3.12 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1squ s TYR 58 CO -0.10 -0.03 -0.17 0.45 -1.57 0.00 0.00 175.55 174.13 1squ s SER 59 N -0.04 2.53 0.20 2.29 0.15 -0.14 -1.38 113.70 117.32 1squ s SER 59 Ca 0.48 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.53 1squ s SER 59 Cb -0.25 -1.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1squ s SER 59 CO 0.31 0.04 0.47 0.72 1.20 0.00 0.00 173.24 175.98 1squ s PHE 60 N 0.86 0.11 0.42 3.44 -0.00 -0.05 -1.29 117.98 121.47 1squ s PHE 60 Ca -0.09 -0.47 0.03 0.00 -0.00 0.00 0.00 56.93 56.40 1squ s PHE 60 Cb -0.15 0.26 0.00 0.00 -0.00 0.00 0.00 43.02 43.12 1squ s PHE 60 CO 0.00 -0.91 0.61 -1.54 -0.00 0.00 0.00 175.22 173.39 1squ s SER 61 N -2.93 5.78 0.16 1.98 1.04 -1.26 -1.37 113.70 117.10 1squ s SER 61 Ca 0.14 0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.45 1squ s SER 61 Cb -0.00 -1.26 0.09 0.00 0.10 0.00 0.00 66.02 64.95 1squ s SER 61 CO 0.01 -0.69 1.76 -1.28 0.98 0.00 0.00 173.24 174.02 1squ h SER 62 N 0.53 0.18 -0.23 7.02 0.87 -1.95 0.35 113.55 120.31 1squ h SER 62 Ca -0.45 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1squ h SER 62 Cb 1.26 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1squ h SER 62 CO 0.54 0.14 0.14 -0.08 -0.53 0.00 0.00 176.83 177.04 1squ h GLU 63 N 0.32 0.28 -0.08 2.24 4.81 -2.01 -1.76 114.58 118.38 1squ h GLU 63 Ca 0.18 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1squ h GLU 63 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1squ h GLU 63 CO -0.18 0.19 -0.07 1.15 -0.73 0.00 0.00 179.01 179.37 1squ h THR 64 N 0.29 1.10 -0.13 0.32 2.02 -1.76 -3.04 112.91 111.72 1squ h THR 64 Ca 0.09 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1squ h THR 64 Cb -0.01 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1squ h THR 64 CO -0.04 0.14 -0.01 0.00 0.37 0.00 0.00 175.52 175.98 1squ h ALA 65 N 1.82 0.17 -0.21 6.16 0.00 0.54 -3.01 119.26 124.72 1squ h ALA 65 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1squ h ALA 65 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1squ h ALA 65 CO 0.01 -0.12 -0.16 -0.07 0.00 0.00 0.00 179.25 178.91 1squ h LEU 66 N -0.06 0.35 -1.58 0.00 3.38 -1.36 -1.85 115.31 114.20 1squ h LEU 66 Ca 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1squ h LEU 66 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1squ h LEU 66 CO 0.01 0.53 -0.22 0.11 0.09 0.00 0.00 178.44 178.97 1squ h LYS 67 N 0.33 0.00 -0.04 1.13 1.57 -1.50 -0.23 116.57 117.83 1squ h LYS 67 Ca 0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1squ h LYS 67 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1squ h LYS 67 CO 0.03 0.22 -0.48 0.28 -0.57 0.00 0.00 179.45 178.93 1squ h VAL 68 N 0.00 1.43 0.74 0.50 2.07 -1.22 -0.90 116.25 118.86 1squ h VAL 68 Ca -0.00 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1squ h VAL 68 Cb 0.49 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1squ h VAL 68 CO 0.03 0.56 -0.49 0.58 0.02 0.00 0.00 177.57 178.26 1squ h VAL 69 N -0.11 0.00 -0.69 2.57 2.07 -1.02 0.11 116.25 119.18 1squ h VAL 69 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 1squ h VAL 69 Cb 1.16 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1squ h VAL 69 CO 0.10 0.00 0.21 0.28 0.02 0.00 0.00 177.57 178.18 1squ h SER 70 N -1.17 0.13 -0.00 0.57 0.02 -1.14 1.00 113.55 112.96 1squ h SER 70 Ca -0.10 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1squ h SER 70 Cb 0.95 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1squ h SER 70 CO 0.07 0.04 0.01 0.00 -1.14 0.00 0.00 176.83 175.81 1squ h ALA 71 N 1.53 1.17 0.02 3.77 0.00 -0.45 0.53 119.26 125.82 1squ h ALA 71 Ca 0.37 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.90 1squ h ALA 71 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1squ h ALA 71 CO -0.42 -0.01 -2.17 -1.33 0.00 0.00 0.00 179.25 175.33 1squ n MET 72 N -3.31 0.63 -1.04 0.00 2.81 0.25 -4.42 117.12 112.04 1squ n MET 72 Ca -0.03 0.30 -0.32 0.00 -1.81 0.00 0.00 57.70 55.84 1squ n MET 72 Cb 0.08 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1squ n MET 72 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1squ n MET 73 N -3.92 2.27 -0.77 0.03 2.81 0.28 -4.47 117.12 113.34 1squ n MET 73 Ca -0.44 -1.79 -0.02 0.00 -1.81 0.00 0.00 57.70 53.64 1squ n MET 73 Cb 0.90 -2.71 -0.01 0.00 -0.71 0.00 0.00 33.22 30.69 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 3.97 0.15 1.87 3.03 0.00 -1.26 -1.33 105.19 111.63 1squ n GLY 74 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.59 0.47 0.00 -0.02 0.00 0.15 -5.05 105.19 101.33 1squ n GLY 75 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1squ n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1squ n MET 76 N -2.93 3.54 -4.42 1.61 2.81 -0.44 -4.91 117.12 112.38 1squ n MET 76 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1squ n MET 76 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 1squ n MET 76 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1squ s GLU 77 N 0.00 1.50 -0.21 0.03 2.12 -1.26 -4.83 118.70 116.05 1squ s GLU 77 Ca 0.00 -1.51 -0.09 0.00 0.36 0.00 0.00 54.97 53.73 1squ s GLU 77 Cb 0.00 -1.82 0.08 0.00 0.26 0.00 0.00 34.13 32.65 1squ s GLU 77 CO 0.00 0.40 0.48 -0.47 -0.54 0.00 0.00 175.26 175.13 1squ s TYR 78 N -1.65 -0.84 -0.10 5.30 6.14 -1.26 -4.90 117.35 120.04 1squ s TYR 78 Ca 0.20 1.64 -0.04 0.00 0.64 0.00 0.00 57.07 59.51 1squ s TYR 78 Cb -0.08 0.40 -0.05 0.00 0.42 0.00 0.00 41.96 42.66 1squ s TYR 78 CO 0.09 -0.47 -0.11 0.09 0.64 0.00 0.00 175.55 175.79 1squ n ASN 79 N 4.91 1.32 -4.89 4.32 4.13 -1.26 -4.88 115.26 118.90 1squ n ASN 79 Ca -0.15 0.08 -0.29 0.00 1.68 0.00 0.00 54.58 55.90 1squ n ASN 79 Cb 0.52 -0.25 -0.02 0.00 -1.54 0.00 0.00 39.78 38.49 1squ n ASN 79 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1squ s GLN 80 N -2.18 3.66 -0.95 3.52 -0.21 -1.26 -5.01 119.66 117.23 1squ s GLN 80 Ca -0.13 0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.46 1squ s GLN 80 Cb 0.05 -2.47 0.28 0.00 1.00 0.00 0.00 33.01 31.87 1squ s GLN 80 CO 0.18 -0.00 1.19 -0.11 -2.12 0.00 0.00 175.29 174.43 1squ n LEU 81 N -1.47 5.45 -4.96 2.90 7.94 -1.26 -4.89 117.00 120.70 1squ n LEU 81 Ca 0.00 -5.25 -0.25 0.00 -1.11 0.00 0.00 56.01 49.40 1squ n LEU 81 Cb 0.54 -1.12 0.11 0.00 0.53 0.00 0.00 43.42 43.48 1squ n LEU 81 CO 0.49 1.74 0.62 1.51 -1.11 0.00 0.00 177.39 180.65 1squ s ASP 82 N -1.52 4.27 0.28 1.96 -4.77 -1.26 -4.82 116.67 110.81 1squ s ASP 82 Ca 0.33 0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.60 1squ s ASP 82 Cb 0.05 -0.43 0.68 0.00 -1.09 0.00 0.00 42.92 42.13 1squ s ASP 82 CO 0.04 -1.93 1.65 -0.33 0.70 0.00 0.00 175.17 175.30 1squ h GLU 83 N -0.74 0.22 0.33 2.11 5.08 -1.98 -0.34 114.58 119.26 1squ h GLU 83 Ca -0.41 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1squ h GLU 83 Cb 1.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1squ h GLU 83 CO 0.46 0.14 -0.33 1.25 -1.00 0.00 0.00 179.01 179.53 1squ h LEU 84 N 0.22 -0.91 -0.93 1.33 6.46 -1.99 0.34 115.31 119.84 1squ h LEU 84 Ca 0.54 0.08 0.25 0.00 -0.12 0.00 0.00 57.88 58.63 1squ h LEU 84 Cb 1.06 0.31 -0.13 0.00 -0.73 0.00 0.00 40.66 41.17 1squ h LEU 84 CO -0.63 -0.47 0.43 0.00 -0.62 0.00 0.00 178.44 177.14 1squ h ALA 85 N -0.19 1.57 -0.11 1.25 0.00 -1.45 0.19 119.26 120.51 1squ h ALA 85 Ca -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1squ h ALA 85 Cb 0.63 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1squ h ALA 85 CO -0.06 -0.41 0.00 -0.07 0.00 0.00 0.00 179.25 178.70 1squ h LEU 86 N 0.36 0.19 -2.11 0.00 3.38 -0.06 -1.39 115.31 115.68 1squ h LEU 86 Ca 0.61 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1squ h LEU 86 Cb 1.24 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1squ h LEU 86 CO -0.57 0.44 -0.03 0.28 0.09 0.00 0.00 178.44 178.66 1squ h SER 87 N -0.08 0.00 -0.05 -0.43 0.02 0.24 -1.32 113.55 111.94 1squ h SER 87 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1squ h SER 87 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1squ h SER 87 CO 0.01 0.03 -0.13 0.00 -1.14 0.00 0.00 176.83 175.59 1squ h ALA 88 N 1.97 0.08 -0.64 3.77 0.00 -0.70 -2.29 119.26 121.45 1squ h ALA 88 Ca -0.00 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1squ h ALA 88 Cb 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1squ h ALA 88 CO 0.00 -0.02 0.21 0.82 0.00 0.00 0.00 179.25 180.26 1squ h ILE 89 N -0.37 0.69 -0.28 0.00 2.04 -0.36 -1.81 117.51 117.43 1squ h ILE 89 Ca -0.00 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1squ h ILE 89 Cb 0.74 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1squ h ILE 89 CO 0.03 0.07 -0.10 1.23 0.00 0.00 0.00 178.15 179.38 1squ h GLY 90 N 0.36 0.60 0.84 5.37 0.00 -1.27 -2.82 103.07 106.15 1squ h GLY 90 Ca 0.34 -0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.23 1squ h GLY 90 CO -0.37 0.47 0.55 -2.09 0.00 0.00 0.00 176.54 175.10 1squ h GLU 91 N 0.30 0.84 0.04 4.80 4.57 -0.97 0.97 114.58 125.13 1squ h GLU 91 Ca 0.07 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1squ h GLU 91 Cb 0.59 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1squ h GLU 91 CO 0.03 0.56 -0.02 1.25 -1.18 0.00 0.00 179.01 179.65 1squ h LEU 92 N 0.87 -0.04 -1.09 1.64 5.85 -1.19 1.15 115.31 122.50 1squ h LEU 92 Ca 0.38 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1squ h LEU 92 Cb 0.33 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1squ h LEU 92 CO -0.15 0.07 -0.15 1.23 -0.34 0.00 0.00 178.44 179.11 1squ h GLY 93 N -0.15 0.51 1.07 3.75 0.00 -1.02 -2.11 103.07 105.12 1squ h GLY 93 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1squ h GLY 93 CO 0.01 0.33 -0.17 -0.57 0.00 0.00 0.00 176.54 176.14 1squ h ASN 94 N 0.43 0.95 0.39 0.19 -1.24 0.17 -1.57 115.58 114.90 1squ h ASN 94 Ca 0.08 -0.39 -0.07 0.00 0.71 0.00 0.00 56.30 56.63 1squ h ASN 94 Cb 0.52 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1squ h ASN 94 CO 0.03 1.12 -0.35 0.24 -1.29 0.00 0.00 177.43 177.19 1squ h MET 95 N 0.77 0.00 0.50 6.67 2.86 0.16 -0.79 114.93 125.10 1squ h MET 95 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1squ h MET 95 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1squ h MET 95 CO 0.06 0.35 -0.24 1.15 1.06 0.00 0.00 176.91 179.28 1squ h THR 96 N 0.00 0.00 -0.95 2.22 2.02 -1.08 -2.49 112.91 112.64 1squ h THR 96 Ca -0.00 -0.50 0.22 0.00 0.77 0.00 0.00 66.41 66.89 1squ h THR 96 Cb 0.63 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1squ h THR 96 CO 0.04 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.55 1squ h ALA 97 N -1.19 2.18 -0.43 6.16 0.00 -1.26 0.70 119.26 125.42 1squ h ALA 97 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1squ h ALA 97 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1squ h ALA 97 CO 0.11 -0.50 0.11 0.78 0.00 0.00 0.00 179.25 179.76 1squ h GLY 98 N 0.43 0.69 1.43 0.00 0.00 -1.09 0.19 103.07 104.71 1squ h GLY 98 Ca 0.51 -0.36 -0.30 0.00 0.00 0.00 0.00 47.33 47.17 1squ h GLY 98 CO -0.21 0.34 -1.39 1.70 0.00 0.00 0.00 176.54 176.98 1squ h LYS 99 N 0.63 0.35 -0.58 4.80 3.64 0.71 -2.35 116.57 123.78 1squ h LYS 99 Ca 0.14 -0.61 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1squ h LYS 99 Cb 0.22 0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1squ h LYS 99 CO -0.00 1.27 0.36 1.25 -2.27 0.00 0.00 179.45 180.06 1squ h LEU 100 N 0.10 0.59 -0.29 5.20 5.85 -0.19 0.29 115.31 126.85 1squ h LEU 100 Ca -0.20 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1squ h LEU 100 Cb 2.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 1squ h LEU 100 CO 0.22 0.42 0.18 0.00 -0.34 0.00 0.00 178.44 178.91 1squ h ALA 101 N 1.25 0.36 -0.35 1.25 0.00 -0.64 -0.99 119.26 120.15 1squ h ALA 101 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1squ h ALA 101 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1squ h ALA 101 CO -0.09 -0.19 0.21 1.98 0.00 0.00 0.00 179.25 181.16 1squ h MET 102 N 0.36 0.46 0.02 0.00 1.85 -0.78 -0.96 114.93 115.88 1squ h MET 102 Ca 0.11 -0.03 -0.21 0.00 -0.61 0.00 0.00 59.70 58.96 1squ h MET 102 Cb -0.01 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1squ h MET 102 CO -0.04 0.32 -0.95 0.87 -0.40 0.00 0.00 176.91 176.70 1squ h LYS 103 N 0.47 0.12 -0.40 0.39 1.57 -0.58 -3.20 116.57 114.95 1squ h LYS 103 Ca 0.13 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1squ h LYS 103 Cb -0.03 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1squ h LYS 103 CO -0.02 0.98 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.58 1squ h LEU 104 N 0.06 0.78 -1.24 2.94 3.38 -0.24 -3.01 115.31 117.97 1squ h LEU 104 Ca -0.04 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.71 1squ h LEU 104 Cb 1.63 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1squ h LEU 104 CO 0.14 0.95 0.53 -0.08 0.09 0.00 0.00 178.44 180.08 1squ h GLU 105 N 0.68 0.92 0.00 1.13 4.57 -1.11 -1.95 114.58 118.83 1squ h GLU 105 Ca 0.10 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1squ h GLU 105 Cb 0.68 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1squ h GLU 105 CO 0.05 0.61 0.00 0.72 -1.18 0.00 0.00 179.01 179.21 1squ n HIS 106 N -4.47 0.00 -0.95 0.92 8.25 -1.14 -3.07 115.22 114.77 1squ n HIS 106 Ca 0.11 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.66 1squ n HIS 106 Cb 0.16 -0.28 0.18 0.00 1.12 0.00 0.00 29.99 31.17 1squ n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1squ n LEU 107 N -1.28 2.98 0.00 2.41 4.77 -0.74 -5.01 117.00 120.13 1squ n LEU 107 Ca 0.13 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 1squ n LEU 107 Cb 0.21 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1squ n LEU 107 CO 0.20 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1squ n GLY 108 N -0.93 2.89 3.69 -0.72 0.00 -1.17 -5.06 105.19 103.88 1squ n GLY 108 Ca 0.17 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 4.18 -0.29 1.61 1.02 -1.18 -4.90 119.74 120.19 1squ s LYS 109 Ca 0.00 2.42 -0.10 0.00 0.02 0.00 0.00 55.97 58.31 1squ s LYS 109 Cb 0.00 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1squ s LYS 109 CO 0.00 -0.78 0.17 -1.01 -0.92 0.00 0.00 175.35 172.81 1squ s HIS 110 N 2.75 3.19 0.09 3.18 3.76 -1.26 -2.99 115.29 124.01 1squ s HIS 110 Ca 0.77 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.62 1squ s HIS 110 Cb -0.42 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 1squ s HIS 110 CO 0.34 -0.25 -0.10 0.14 -0.85 0.00 0.00 174.74 174.01 1squ s VAL 111 N 1.71 0.95 0.12 -0.90 -7.23 -1.26 0.22 120.40 114.01 1squ s VAL 111 Ca 0.07 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 58.71 1squ s VAL 111 Cb -0.16 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1squ s VAL 111 CO 0.09 -0.53 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.41 1squ s ASP 112 N -2.38 4.19 -0.03 4.85 1.11 0.11 -4.95 116.67 119.57 1squ s ASP 112 Ca 0.05 -0.48 0.03 0.00 0.18 0.00 0.00 52.55 52.33 1squ s ASP 112 Cb -0.03 -0.71 -0.03 0.00 1.07 0.00 0.00 42.92 43.21 1squ s ASP 112 CO 0.00 0.17 -0.11 -0.63 1.18 0.00 0.00 175.17 175.78 1squ s ILE 113 N -1.27 3.37 0.33 0.77 -1.09 -1.26 -1.75 121.20 120.29 1squ s ILE 113 Ca 0.21 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1squ s ILE 113 Cb -0.11 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.35 1squ s ILE 113 CO 0.13 0.51 0.53 0.28 -1.23 0.00 0.00 174.94 175.16 1squ s THR 114 N -0.85 5.11 0.67 2.92 -1.32 -0.72 -5.01 115.64 116.45 1squ s THR 114 Ca 0.14 -0.43 -0.13 0.00 -1.21 0.00 0.00 61.69 60.06 1squ s THR 114 Cb -0.11 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 1squ s THR 114 CO 0.03 -0.50 1.07 -2.84 -2.21 0.00 0.00 174.62 170.17 1squ s PRO 115 N -4.17 2.93 0.65 7.08 0.02 -1.26 -4.49 135.00 135.76 1squ s PRO 115 Ca 0.40 1.11 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 1squ s PRO 115 Cb -0.10 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1squ s PRO 115 CO 0.35 -1.11 1.05 -1.25 -0.33 0.00 0.00 177.00 175.70 1squ s PRO 116 N -4.62 3.28 -0.15 5.54 0.04 -1.26 -4.64 135.00 133.19 1squ s PRO 116 Ca 0.61 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 1squ s PRO 116 Cb -0.16 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1squ s PRO 116 CO 0.48 -0.75 0.03 0.99 0.04 0.00 0.00 177.00 177.79 1squ s THR 117 N -3.23 0.45 -0.04 1.26 2.01 -0.57 -4.95 115.64 110.57 1squ s THR 117 Ca 0.56 -0.31 -0.19 0.00 0.31 0.00 0.00 61.69 62.06 1squ s THR 117 Cb -0.11 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1squ s THR 117 CO 0.53 -0.05 0.54 -0.69 -0.69 0.00 0.00 174.62 174.25 1squ s VAL 118 N 1.91 5.02 0.09 3.82 1.01 -1.26 -1.65 120.40 129.34 1squ s VAL 118 Ca 0.01 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1squ s VAL 118 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1squ s VAL 118 CO -0.07 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 1squ s VAL 119 N 0.01 1.23 0.04 2.92 1.01 -0.67 -5.00 120.40 119.94 1squ s VAL 119 Ca 0.29 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.75 1squ s VAL 119 Cb -0.17 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1squ s VAL 119 CO 0.15 -0.28 0.09 -0.94 0.00 0.00 0.00 175.10 174.12 1squ s SER 120 N -2.00 0.18 0.00 3.32 1.04 -1.26 -1.76 113.70 113.23 1squ s SER 120 Ca 0.02 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1squ s SER 120 Cb -0.08 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1squ s SER 120 CO 0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1squ n GLY 121 N 0.79 -0.24 3.67 7.32 0.00 -1.12 -5.05 105.19 110.56 1squ n GLY 121 Ca -0.19 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1squ n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1squ s ARG 122 N -2.00 4.07 -0.66 1.61 0.52 -1.26 -4.49 118.95 116.75 1squ s ARG 122 Ca 0.00 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1squ s ARG 122 Cb 0.00 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1squ s ARG 122 CO 0.00 0.13 0.61 -0.25 0.02 0.00 0.00 175.30 175.81 1squ n ASP 123 N 4.06 -6.56 -4.83 0.23 9.92 -1.26 -4.98 116.55 113.12 1squ n ASP 123 Ca -0.15 -0.16 -0.32 0.00 -0.53 0.00 0.00 54.79 53.62 1squ n ASP 123 Cb 0.52 -4.50 -0.05 0.00 -0.64 0.00 0.00 41.12 36.45 1squ n ASP 123 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1squ s LEU 124 N -3.90 3.77 -0.26 0.64 1.43 -1.26 -5.06 118.68 114.04 1squ s LEU 124 Ca 0.08 1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1squ s LEU 124 Cb -0.01 -4.49 0.14 0.00 0.03 0.00 0.00 46.19 41.86 1squ s LEU 124 CO 0.61 -0.48 0.51 -0.75 0.23 0.00 0.00 176.35 176.48 1squ s LYS 125 N -3.66 0.46 -0.24 1.70 2.20 -1.26 -4.68 119.74 114.26 1squ s LYS 125 Ca 0.60 0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 57.12 1squ s LYS 125 Cb -0.10 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1squ s LYS 125 CO 0.23 -0.46 0.07 0.42 -0.36 0.00 0.00 175.35 175.25 1squ s ILE 126 N 2.74 4.39 -0.19 5.43 1.01 -1.26 -5.07 121.20 128.24 1squ s ILE 126 Ca 0.09 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 1squ s ILE 126 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1squ s ILE 126 CO -0.18 0.35 0.49 -0.75 0.00 0.00 0.00 174.94 174.86 1squ s LYS 127 N 1.46 4.21 0.33 2.79 2.47 -1.26 -4.49 119.74 125.25 1squ s LYS 127 Ca 0.06 0.39 0.10 0.00 -1.56 0.00 0.00 55.97 54.95 1squ s LYS 127 Cb -0.15 -3.54 -0.06 0.00 -1.46 0.00 0.00 37.83 32.63 1squ s LYS 127 CO 0.04 -0.08 -0.07 0.45 0.16 0.00 0.00 175.35 175.85 1squ s SER 128 N 1.04 3.91 -0.02 1.43 0.15 -1.26 -5.12 113.70 113.84 1squ s SER 128 Ca 0.24 -1.06 0.08 0.00 0.70 0.00 0.00 55.95 55.90 1squ s SER 128 Cb -0.15 -0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1squ s SER 128 CO 0.09 -0.16 -0.25 -0.36 1.20 0.00 0.00 173.24 173.77 1squ s PHE 129 N -2.54 2.21 0.00 3.44 0.40 -1.26 -5.06 117.98 115.17 1squ s PHE 129 Ca 0.33 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1squ s PHE 129 Cb -0.00 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1squ s PHE 129 CO 0.17 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.46 1squ n GLY 130 N 2.49 -2.19 3.80 4.36 0.00 -1.26 -4.25 105.19 108.14 1squ n GLY 130 Ca -0.16 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.19 3.92 -0.02 1.61 0.11 -0.11 -4.68 120.40 121.03 1squ s VAL 131 Ca 0.00 1.26 0.04 0.00 -2.93 0.00 0.00 61.98 60.35 1squ s VAL 131 Cb 0.00 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 1squ s VAL 131 CO 0.00 -0.20 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.79 1squ s ILE 132 N -1.95 1.22 -0.13 7.04 1.01 -1.26 0.10 121.20 127.24 1squ s ILE 132 Ca 0.64 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1squ s ILE 132 Cb -0.16 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 1squ s ILE 132 CO 0.20 0.35 -0.19 -0.22 0.00 0.00 0.00 174.94 175.08 1squ s LEU 133 N -0.16 2.31 -0.13 2.97 2.96 -1.01 -2.70 118.68 122.92 1squ s LEU 133 Ca 0.02 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1squ s LEU 133 Cb -0.08 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1squ s LEU 133 CO 0.00 0.13 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.41 1squ s LYS 134 N 0.55 3.42 -0.19 1.98 2.20 0.31 -1.10 119.74 126.91 1squ s LYS 134 Ca -0.12 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.01 1squ s LYS 134 Cb -0.16 -2.91 0.07 0.00 -1.51 0.00 0.00 37.83 33.31 1squ s LYS 134 CO 0.04 0.45 0.09 -1.17 -0.36 0.00 0.00 175.35 174.40 1squ s LEU 135 N -0.19 0.51 0.32 5.43 0.20 -0.57 0.54 118.68 124.93 1squ s LEU 135 Ca 0.05 -0.75 -0.27 0.00 0.69 0.00 0.00 54.13 53.85 1squ s LEU 135 Cb -0.13 -0.31 -0.09 0.00 -0.43 0.00 0.00 46.19 45.23 1squ s LEU 135 CO 0.02 -0.36 0.99 -2.16 -0.29 0.00 0.00 176.35 174.55 1squ s PRO 136 N 2.09 4.55 -0.01 0.98 0.04 -1.26 -2.43 135.00 138.96 1squ s PRO 136 Ca 0.03 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.56 1squ s PRO 136 Cb -0.16 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 1squ s PRO 136 CO -0.13 0.22 -0.12 0.42 0.04 0.00 0.00 177.00 177.43 1squ s ILE 137 N -1.49 0.94 -0.19 0.56 1.01 -0.22 0.36 121.20 122.18 1squ s ILE 137 Ca 0.49 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1squ s ILE 137 Cb -0.22 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.49 1squ s ILE 137 CO 0.28 0.27 -0.16 -0.44 0.00 0.00 0.00 174.94 174.89 1squ s SER 138 N -0.28 3.23 -0.08 3.58 0.01 -0.79 -2.30 113.70 117.07 1squ s SER 138 Ca 0.05 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.45 1squ s SER 138 Cb -0.05 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 1squ s SER 138 CO -0.00 -0.06 -0.21 0.52 0.41 0.00 0.00 173.24 173.89 1squ n VAL 139 N 4.65 1.36 0.00 3.43 0.31 -1.26 -2.09 118.33 124.72 1squ n VAL 139 Ca -0.18 0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1squ n VAL 139 Cb 0.48 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 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 -4.06 0.00 -2.38 3.52 0.99 -1.26 -4.94 117.46 109.33 1squ n PHE 140 Ca -0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.08 1squ n PHE 140 Cb 0.35 -0.14 0.15 0.00 -1.00 0.00 0.00 39.48 38.84 1squ n PHE 140 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1squ n SER 141 N -3.61 0.92 -4.65 4.37 7.64 -1.26 -5.01 113.62 112.03 1squ n SER 141 Ca -0.04 -1.92 -0.42 0.00 1.01 0.00 0.00 58.87 57.50 1squ n SER 141 Cb 0.15 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1squ n SER 141 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1squ s GLU 142 N -5.47 4.22 -1.13 1.43 8.01 -1.26 -3.93 118.70 120.57 1squ s GLU 142 Ca 0.71 0.99 -0.16 0.00 0.01 0.00 0.00 54.97 56.52 1squ s GLU 142 Cb -0.03 -3.63 -0.02 0.00 -4.31 0.00 0.00 34.13 26.14 1squ s GLU 142 CO 0.48 -0.48 0.82 -1.91 0.01 0.00 0.00 175.26 174.18 1squ n GLU 143 N 5.84 -1.65 0.00 1.61 2.13 -1.23 -4.87 120.64 122.48 1squ n GLU 143 Ca 0.06 0.56 0.14 0.00 0.66 0.00 0.00 57.16 58.57 1squ n GLU 143 Cb 0.48 -4.58 0.47 0.00 0.27 0.00 0.00 31.44 28.08 1squ n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1squ n ASP 144 N -2.82 1.16 -3.63 4.31 3.85 -0.97 -4.74 116.55 113.71 1squ n ASP 144 Ca -0.10 -1.13 -0.25 0.00 -0.71 0.00 0.00 54.79 52.60 1squ n ASP 144 Cb 0.60 0.06 -0.17 0.00 -1.35 0.00 0.00 41.12 40.26 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 -2.27 0.21 -0.21 2.11 0.08 -1.04 -4.30 117.98 112.57 1squ s PHE 145 Ca 0.31 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.11 1squ s PHE 145 Cb 0.20 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1squ s PHE 145 CO 0.43 -0.44 -0.01 0.16 -0.10 0.00 0.00 175.22 175.27 1squ s ASP 146 N 2.13 4.68 0.05 1.36 1.47 -0.41 -1.05 116.67 124.88 1squ s ASP 146 Ca 0.03 -0.26 0.05 0.00 1.18 0.00 0.00 52.55 53.54 1squ s ASP 146 Cb -0.15 -1.80 -0.04 0.00 -0.34 0.00 0.00 42.92 40.59 1squ s ASP 146 CO -0.07 0.03 -0.08 -0.22 0.68 0.00 0.00 175.17 175.51 1squ s LEU 147 N 1.19 3.13 -0.01 2.11 0.20 -1.02 -0.96 118.68 123.33 1squ s LEU 147 Ca 0.03 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.64 1squ s LEU 147 Cb -0.15 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 1squ s LEU 147 CO 0.01 0.24 -0.09 -1.00 -0.29 0.00 0.00 176.35 175.21 1squ s HIS 148 N -1.10 0.84 -0.40 5.38 3.76 -1.02 -1.51 115.29 121.25 1squ s HIS 148 Ca 0.19 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1squ s HIS 148 Cb -0.11 -0.54 0.12 0.00 1.11 0.00 0.00 32.58 33.16 1squ s HIS 148 CO 0.11 -0.01 0.17 -1.17 -0.85 0.00 0.00 174.74 172.98 1squ s LEU 149 N -0.25 3.27 0.23 0.89 2.96 -0.26 -1.19 118.68 124.33 1squ s LEU 149 Ca 0.03 -2.37 -0.21 0.00 -0.22 0.00 0.00 54.13 51.37 1squ s LEU 149 Cb -0.04 -1.22 -0.08 0.00 0.50 0.00 0.00 46.19 45.35 1squ s LEU 149 CO -0.00 -0.32 0.77 -0.94 -1.32 0.00 0.00 176.35 174.54 1squ s SER 150 N 0.65 7.14 0.11 3.68 1.04 -1.18 -2.39 113.70 122.74 1squ s SER 150 Ca 0.14 1.51 0.04 0.00 0.48 0.00 0.00 55.95 58.13 1squ s SER 150 Cb -0.22 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1squ s SER 150 CO -0.07 0.03 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 1squ s VAL 151 N -1.51 1.02 0.00 5.02 1.01 0.28 -1.61 120.40 124.61 1squ s VAL 151 Ca 0.44 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1squ s VAL 151 Cb -0.18 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1squ s VAL 151 CO 0.22 -0.58 0.00 0.29 0.00 0.00 0.00 175.10 175.03