#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7c s SER 2 N 0.00 0.19 0.35 1.61 0.01 -1.26 -5.18 113.70 109.42 2e7c s SER 2 Ca 0.00 -1.11 0.04 0.00 1.31 0.00 0.00 55.95 56.19 2e7c s SER 2 Cb 0.00 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2e7c s SER 2 CO 0.00 -0.81 0.15 -0.44 0.41 0.00 0.00 173.24 172.55 2e7c s SER 3 N -3.03 2.09 -0.38 2.44 0.01 -1.26 -5.14 113.70 108.43 2e7c s SER 3 Ca 0.24 -1.61 0.03 0.00 1.31 0.00 0.00 55.95 55.92 2e7c s SER 3 Cb 0.06 0.42 0.18 0.00 0.21 0.00 0.00 66.02 66.89 2e7c s SER 3 CO 0.03 -0.90 0.73 -0.83 0.41 0.00 0.00 173.24 172.68 2e7c s GLY 4 N -3.47 -1.33 -0.25 3.44 0.00 -1.26 -5.15 107.32 99.30 2e7c s GLY 4 Ca 0.32 0.55 -0.27 0.00 0.00 0.00 0.00 44.72 45.31 2e7c s GLY 4 CO 0.17 3.83 1.19 -1.35 0.00 0.00 0.00 173.10 176.95 2e7c s SER 5 N 1.95 -0.24 0.29 1.64 1.04 -1.26 -5.18 113.70 111.94 2e7c s SER 5 Ca 0.16 0.38 0.09 0.00 0.48 0.00 0.00 55.95 57.06 2e7c s SER 5 Cb -0.03 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2e7c s SER 5 CO -0.10 -0.14 0.06 -0.55 0.98 0.00 0.00 173.24 173.49 2e7c s SER 6 N -0.43 4.68 0.00 7.02 0.15 -1.26 -5.09 113.70 118.77 2e7c s SER 6 Ca 0.04 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2e7c s SER 6 Cb -0.03 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2e7c s SER 6 CO -0.07 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2e7c n GLY 7 N -1.01 0.94 3.43 9.45 0.00 -1.26 -5.14 105.19 111.60 2e7c n GLY 7 Ca -0.05 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 2e7c n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e7c s THR 8 N -1.06 0.02 -0.48 2.61 -1.32 -1.26 -5.12 115.64 109.02 2e7c s THR 8 Ca 0.00 -0.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.37 2e7c s THR 8 Cb 0.00 -0.99 0.14 0.00 -1.51 0.00 0.00 72.50 70.15 2e7c s THR 8 CO 0.00 -0.08 0.29 -0.22 -2.21 0.00 0.00 174.62 172.40 2e7c s LEU 9 N -1.96 3.01 -0.15 9.08 2.96 -1.26 -5.07 118.68 125.29 2e7c s LEU 9 Ca -0.05 -2.88 -0.07 0.00 -0.22 0.00 0.00 54.13 50.90 2e7c s LEU 9 Cb -0.01 -1.11 0.06 0.00 0.50 0.00 0.00 46.19 45.63 2e7c s LEU 9 CO -0.01 -0.23 0.35 0.00 -1.32 0.00 0.00 176.35 175.14 2e7c s ALA 10 N 0.01 -0.88 0.08 5.97 0.00 -1.26 -5.16 121.76 120.52 2e7c s ALA 10 Ca 0.20 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.54 2e7c s ALA 10 Cb -0.19 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2e7c s ALA 10 CO -0.04 -0.35 -0.14 1.14 0.00 0.00 0.00 175.76 176.37 2e7c s GLN 11 N 1.62 0.86 0.29 0.00 0.00 -1.26 -5.13 119.66 116.04 2e7c s GLN 11 Ca -0.07 -1.03 -0.29 0.00 -0.00 0.00 0.00 55.36 53.96 2e7c s GLN 11 Cb -0.10 -0.81 -0.10 0.00 0.00 0.00 0.00 33.01 32.00 2e7c s GLN 11 CO -0.11 0.17 1.24 -1.25 0.00 0.00 0.00 175.29 175.34 2e7c s PRO 12 N -2.03 4.45 -0.09 9.60 0.04 -1.26 -5.04 135.00 140.68 2e7c s PRO 12 Ca 0.01 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2e7c s PRO 12 Cb -0.08 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2e7c s PRO 12 CO 0.02 -0.08 0.00 0.08 0.04 0.00 0.00 177.00 177.07 2e7c s VAL 13 N -0.90 4.33 -0.27 -0.36 1.01 -1.26 -5.10 120.40 117.85 2e7c s VAL 13 Ca 0.49 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 2e7c s VAL 13 Cb -0.37 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.29 2e7c s VAL 13 CO 0.46 0.59 0.94 0.28 0.00 0.00 0.00 175.10 177.38 2e7c s THR 14 N -0.77 0.00 -0.07 3.92 -1.32 -1.26 -5.16 115.64 110.99 2e7c s THR 14 Ca 0.12 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 2e7c s THR 14 Cb -0.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2e7c s THR 14 CO 0.02 0.00 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.72 2e7c s ILE 15 N 0.19 0.86 0.30 5.08 1.01 -1.26 -5.11 121.20 122.27 2e7c s ILE 15 Ca 0.02 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 2e7c s ILE 15 Cb -0.05 -0.84 -0.16 0.00 0.01 0.00 0.00 42.46 41.42 2e7c s ILE 15 CO -0.04 0.31 0.28 0.54 0.00 0.00 0.00 174.94 176.03 2e7c n ARG 16 N 4.16 0.00 -2.65 2.79 3.00 -1.26 -4.93 116.66 117.77 2e7c n ARG 16 Ca -0.21 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.36 2e7c n ARG 16 Cb 0.51 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 32.00 2e7c n ARG 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2e7c s GLU 17 N -0.97 3.41 0.21 5.56 2.02 -1.26 -5.04 118.70 122.63 2e7c s GLU 17 Ca 0.60 0.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.42 2e7c s GLU 17 Cb -0.75 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 2e7c s GLU 17 CO 0.58 -0.27 0.85 0.42 0.02 0.00 0.00 175.26 176.86 2e7c s ILE 18 N -2.75 4.24 0.07 -1.63 1.01 -1.26 -4.97 121.20 115.90 2e7c s ILE 18 Ca 0.48 1.86 0.09 0.00 0.00 0.00 0.00 60.65 63.08 2e7c s ILE 18 Cb -0.10 -4.20 -0.18 0.00 0.01 0.00 0.00 42.46 37.99 2e7c s ILE 18 CO 0.44 0.49 1.24 0.00 0.00 0.00 0.00 174.94 177.11 2e7c h ALA 19 N 4.17 0.43 -2.04 9.38 0.00 -1.98 -3.46 119.26 125.77 2e7c h ALA 19 Ca -0.46 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 53.55 2e7c h ALA 19 Cb 1.20 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.70 2e7c h ALA 19 CO 0.67 1.19 0.03 -2.00 0.00 0.00 0.00 179.25 179.14 2e7c s GLU 20 N -2.74 0.72 0.67 0.00 2.56 -1.21 -4.84 118.70 113.87 2e7c s GLU 20 Ca 0.01 1.15 -0.14 0.00 0.00 0.00 0.00 54.97 55.98 2e7c s GLU 20 Cb 0.09 0.20 0.01 0.00 2.00 0.00 0.00 34.13 36.43 2e7c s GLU 20 CO 0.81 -0.14 1.11 -1.25 -0.56 0.00 0.00 175.26 175.23 2e7c s PRO 21 N 1.32 2.73 0.58 4.30 0.04 -1.26 -1.31 135.00 141.40 2e7c s PRO 21 Ca -0.08 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 2e7c s PRO 21 Cb -0.05 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2e7c s PRO 21 CO -0.15 -1.30 1.12 -1.25 0.04 0.00 0.00 177.00 175.47 2e7c s PRO 22 N -4.20 3.16 -0.30 0.56 0.04 -1.26 -3.79 135.00 129.20 2e7c s PRO 22 Ca 0.66 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 2e7c s PRO 22 Cb -0.20 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.53 2e7c s PRO 22 CO 0.43 -0.99 0.72 0.21 0.04 0.00 0.00 177.00 177.42 2e7c s LYS 23 N -3.57 0.48 -0.47 4.56 2.47 -1.04 -4.94 119.74 117.23 2e7c s LYS 23 Ca 0.71 0.96 -0.24 0.00 -1.56 0.00 0.00 55.97 55.83 2e7c s LYS 23 Cb -0.23 0.55 0.03 0.00 -1.46 0.00 0.00 37.83 36.72 2e7c s LYS 23 CO 0.32 -0.42 0.88 0.42 0.16 0.00 0.00 175.35 176.71 2e7c s ILE 24 N 2.84 4.53 -0.71 5.43 1.01 -1.26 -1.13 121.20 131.92 2e7c s ILE 24 Ca 0.10 0.57 -0.20 0.00 0.00 0.00 0.00 60.65 61.12 2e7c s ILE 24 Cb -0.13 -4.41 0.11 0.00 0.01 0.00 0.00 42.46 38.04 2e7c s ILE 24 CO -0.19 -0.82 0.89 -0.13 0.00 0.00 0.00 174.94 174.69 2e7c s ARG 25 N 3.61 3.23 0.19 2.79 1.81 -0.32 -5.03 118.95 125.23 2e7c s ARG 25 Ca 0.34 -1.34 -0.17 0.00 -1.72 0.00 0.00 55.73 52.84 2e7c s ARG 25 Cb -0.11 -4.41 -0.08 0.00 -0.45 0.00 0.00 34.95 29.90 2e7c s ARG 25 CO 0.24 -1.67 0.65 -0.51 -0.68 0.00 0.00 175.30 173.33 2e7c s LEU 26 N 2.97 4.34 0.00 2.53 1.43 -1.26 -3.39 118.68 125.30 2e7c s LEU 26 Ca 0.20 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2e7c s LEU 26 Cb -0.17 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2e7c s LEU 26 CO 0.03 0.06 0.00 -0.81 0.23 0.00 0.00 176.35 175.86 2e7c n PRO 27 N 0.75 0.12 -0.06 1.29 -0.04 -1.26 -4.98 135.00 130.82 2e7c n PRO 27 Ca -0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 2e7c n PRO 27 Cb 0.51 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.08 2e7c n PRO 27 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2e7c n ARG 28 N -0.65 1.57 -0.03 0.54 1.85 -1.26 -4.30 116.66 114.38 2e7c n ARG 28 Ca 0.00 -1.63 0.07 0.00 -1.00 0.00 0.00 57.85 55.29 2e7c n ARG 28 Cb 0.00 -1.31 0.07 0.00 -1.05 0.00 0.00 32.46 30.17 2e7c n ARG 28 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2e7c n HIS 29 N 0.88 0.07 -1.97 2.89 1.44 -1.26 -4.45 115.22 112.83 2e7c n HIS 29 Ca 0.11 -0.06 0.05 0.00 -2.01 0.00 0.00 57.72 55.80 2e7c n HIS 29 Cb 0.41 -0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.65 2e7c n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2e7c n LEU 30 N 0.77 2.08 -0.01 2.39 4.77 -1.26 -4.14 117.00 121.60 2e7c n LEU 30 Ca 0.09 -3.18 0.09 0.00 -0.03 0.00 0.00 56.01 52.97 2e7c n LEU 30 Cb 0.36 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 2e7c n LEU 30 CO 0.09 1.07 -0.75 0.54 -1.33 0.00 0.00 177.39 177.01 2e7c n ARG 31 N -0.49 0.61 0.06 3.23 1.74 -1.26 -4.59 116.66 115.96 2e7c n ARG 31 Ca 0.14 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2e7c n ARG 31 Cb 0.87 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 2e7c n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e7c n GLN 32 N -2.20 0.00 -3.62 5.56 10.64 -1.26 -5.03 117.38 121.47 2e7c n GLN 32 Ca -0.05 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.03 2e7c n GLN 32 Cb 0.53 -0.39 -0.07 0.00 -0.86 0.00 0.00 30.24 29.46 2e7c n GLN 32 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2e7c s THR 33 N -2.00 0.00 -0.46 -0.39 2.01 -1.26 -4.76 115.64 108.78 2e7c s THR 33 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2e7c s THR 33 Cb 0.00 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.61 2e7c s THR 33 CO 0.00 0.00 0.33 -0.47 -0.69 0.00 0.00 174.62 173.79 2e7c s TYR 34 N -0.09 3.36 -0.27 4.92 5.04 0.04 -4.74 117.35 125.62 2e7c s TYR 34 Ca 0.02 -1.62 -0.25 0.00 -2.44 0.00 0.00 57.07 52.78 2e7c s TYR 34 Cb -0.04 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.99 2e7c s TYR 34 CO -0.05 -0.92 0.87 0.42 -1.34 0.00 0.00 175.55 174.53 2e7c s ILE 35 N 1.43 4.77 0.01 3.14 -1.09 -1.26 -0.59 121.20 127.61 2e7c s ILE 35 Ca 0.04 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 2e7c s ILE 35 Cb -0.25 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 2e7c s ILE 35 CO 0.01 -0.18 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.37 2e7c s ARG 36 N 3.02 0.32 0.45 2.79 1.81 -0.53 -5.01 118.95 121.79 2e7c s ARG 36 Ca 0.37 -0.36 -0.21 0.00 -1.72 0.00 0.00 55.73 53.81 2e7c s ARG 36 Cb -0.15 -0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.08 2e7c s ARG 36 CO 0.09 0.04 0.97 0.15 -0.68 0.00 0.00 175.30 175.88 2e7c s LYS 37 N -0.70 4.11 0.65 3.54 1.02 -1.26 -0.31 119.74 126.78 2e7c s LYS 37 Ca -0.05 1.18 -0.16 0.00 0.02 0.00 0.00 55.97 56.96 2e7c s LYS 37 Cb -0.05 -2.16 -0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2e7c s LYS 37 CO -0.00 -0.14 1.13 0.14 -0.92 0.00 0.00 175.35 175.56 2e7c s VAL 38 N -2.15 3.06 0.00 3.17 -7.23 -0.03 -3.33 120.40 113.89 2e7c s VAL 38 Ca 0.63 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 2e7c s VAL 38 Cb -0.11 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2e7c s VAL 38 CO 0.15 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2e7c n GLY 39 N -0.23 1.07 3.51 2.32 0.00 -1.26 -4.79 105.19 105.81 2e7c n GLY 39 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2e7c n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7c n GLU 40 N 0.00 -0.52 -2.95 1.61 -0.58 -1.21 -3.85 120.64 113.13 2e7c n GLU 40 Ca 0.00 -0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 2e7c n GLU 40 Cb 0.00 -2.06 -0.04 0.00 -0.57 0.00 0.00 31.44 28.76 2e7c n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2e7c s GLN 41 N -4.05 4.49 0.32 3.49 -0.21 -1.26 -0.90 119.66 121.54 2e7c s GLN 41 Ca 0.61 1.06 -0.17 0.00 0.02 0.00 0.00 55.36 56.88 2e7c s GLN 41 Cb -0.22 -3.42 -0.09 0.00 1.00 0.00 0.00 33.01 30.29 2e7c s GLN 41 CO 0.64 0.13 0.77 -0.51 -2.12 0.00 0.00 175.29 174.20 2e7c s LEU 42 N 0.49 4.12 -0.24 2.90 1.43 -1.17 -4.93 118.68 121.28 2e7c s LEU 42 Ca 0.41 1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2e7c s LEU 42 Cb -0.19 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.11 2e7c s LEU 42 CO 0.22 -0.17 0.30 0.21 0.23 0.00 0.00 176.35 177.14 2e7c s ASN 43 N -2.10 1.05 -0.31 2.29 3.84 -1.25 -3.41 114.94 115.06 2e7c s ASN 43 Ca 0.53 -0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.38 2e7c s ASN 43 Cb -0.12 0.68 0.09 0.00 -0.55 0.00 0.00 41.25 41.35 2e7c s ASN 43 CO 0.18 -0.34 0.03 -0.76 -2.79 0.00 0.00 177.10 173.42 2e7c s LEU 44 N 2.42 3.63 -0.59 3.21 1.43 0.09 -4.98 118.68 123.89 2e7c s LEU 44 Ca 0.10 -1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 51.27 2e7c s LEU 44 Cb -0.15 -1.35 0.15 0.00 0.03 0.00 0.00 46.19 44.87 2e7c s LEU 44 CO -0.20 -0.35 0.52 -0.69 0.23 0.00 0.00 176.35 175.86 2e7c s VAL 45 N 1.19 5.02 -0.47 -1.59 1.01 -1.26 -1.06 120.40 123.24 2e7c s VAL 45 Ca 0.06 -1.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 2e7c s VAL 45 Cb -0.19 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.09 2e7c s VAL 45 CO -0.12 -0.88 0.35 -0.69 0.00 0.00 0.00 175.10 173.75 2e7c s VAL 46 N 1.18 4.43 0.42 2.92 1.01 -0.92 -4.82 120.40 124.61 2e7c s VAL 46 Ca 0.07 -1.58 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 2e7c s VAL 46 Cb -0.25 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2e7c s VAL 46 CO -0.01 -0.70 1.18 -2.16 0.00 0.00 0.00 175.10 173.42 2e7c s PRO 47 N 1.43 3.97 0.19 2.72 0.04 -1.22 -3.30 135.00 138.83 2e7c s PRO 47 Ca 0.04 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.98 2e7c s PRO 47 Cb -0.26 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 2e7c s PRO 47 CO 0.01 -0.39 -0.06 -0.59 0.04 0.00 0.00 177.00 176.01 2e7c s PHE 48 N -1.43 1.42 0.21 0.56 -0.12 -1.26 -1.17 117.98 116.19 2e7c s PHE 48 Ca 0.59 -0.83 0.06 0.00 -0.05 0.00 0.00 56.93 56.69 2e7c s PHE 48 Cb -0.31 -0.77 -0.05 0.00 -0.63 0.00 0.00 43.02 41.26 2e7c s PHE 48 CO 0.39 0.03 -0.09 -0.65 -0.05 0.00 0.00 175.22 174.85 2e7c s GLN 49 N -3.80 1.30 0.00 1.99 -0.21 -0.28 -4.82 119.66 113.84 2e7c s GLN 49 Ca 0.22 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 54.00 2e7c s GLN 49 Cb 0.04 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 33.16 2e7c s GLN 49 CO 0.05 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 2e7c n GLY 50 N -0.38 4.03 3.18 3.09 0.00 -1.25 -2.48 105.19 111.38 2e7c n GLY 50 Ca -0.07 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 2e7c n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7c s LYS 51 N -2.69 0.67 -0.01 1.61 -0.14 -0.43 -4.35 119.74 114.40 2e7c s LYS 51 Ca 0.00 -0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 53.78 2e7c s LYS 51 Cb 0.00 0.28 -0.19 0.00 -1.68 0.00 0.00 37.83 36.24 2e7c s LYS 51 CO 0.00 -0.19 1.28 -1.00 -0.76 0.00 0.00 175.35 174.68 2e7c h PRO 52 N 3.57 0.06 -3.46 -1.68 0.13 -1.95 -3.20 132.00 125.47 2e7c h PRO 52 Ca -0.32 -0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.22 2e7c h PRO 52 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2e7c h PRO 52 CO 0.47 0.53 -0.76 0.50 -0.23 0.00 0.00 178.00 178.51 2e7c s ARG 53 N -4.26 0.64 -0.03 0.86 3.52 -1.26 -5.07 118.95 113.34 2e7c s ARG 53 Ca -0.16 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.36 2e7c s ARG 53 Cb 0.02 -1.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.44 2e7c s ARG 53 CO 0.69 -0.87 1.48 -1.25 -0.81 0.00 0.00 175.30 174.53 2e7c s PRO 54 N 1.76 4.24 0.48 5.12 0.04 -1.26 -4.92 135.00 140.46 2e7c s PRO 54 Ca 0.06 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 2e7c s PRO 54 Cb -0.17 -3.72 -0.07 0.00 0.04 0.00 0.00 34.50 30.58 2e7c s PRO 54 CO -0.21 -0.69 1.14 -1.14 0.04 0.00 0.00 177.00 176.15 2e7c s GLN 55 N 3.05 3.67 0.03 4.56 2.00 -0.62 -4.92 119.66 127.43 2e7c s GLN 55 Ca 0.66 1.70 0.07 0.00 -2.00 0.00 0.00 55.36 55.79 2e7c s GLN 55 Cb -0.31 -2.29 -0.03 0.00 0.80 0.00 0.00 33.01 31.17 2e7c s GLN 55 CO 0.26 -0.60 -0.19 0.08 -0.50 0.00 0.00 175.29 174.34 2e7c s VAL 56 N -1.63 2.73 0.01 1.34 1.01 -1.26 -2.34 120.40 120.26 2e7c s VAL 56 Ca 0.66 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2e7c s VAL 56 Cb -0.26 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2e7c s VAL 56 CO 0.31 0.38 -0.03 -0.69 0.00 0.00 0.00 175.10 175.07 2e7c s VAL 57 N -0.88 0.13 -0.02 2.92 1.01 -1.05 -4.94 120.40 117.57 2e7c s VAL 57 Ca 0.14 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2e7c s VAL 57 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 2e7c s VAL 57 CO 0.04 -0.29 -0.11 0.26 0.00 0.00 0.00 175.10 175.00 2e7c s TRP 58 N -0.89 1.05 -0.08 5.22 0.52 -1.26 -3.04 118.94 120.45 2e7c s TRP 58 Ca -0.09 -0.23 -0.05 0.00 0.02 0.00 0.00 56.10 55.75 2e7c s TRP 58 Cb -0.06 -0.70 0.03 0.00 -1.15 0.00 0.00 33.47 31.59 2e7c s TRP 58 CO -0.00 -0.06 0.20 0.95 0.02 0.00 0.00 176.95 178.06 2e7c s THR 59 N -0.09 -0.03 -0.62 2.01 -4.23 -1.15 -3.83 115.64 107.71 2e7c s THR 59 Ca 0.01 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2e7c s THR 59 Cb -0.06 -0.31 0.16 0.00 1.34 0.00 0.00 72.50 73.63 2e7c s THR 59 CO 0.00 0.04 0.44 -0.75 -0.54 0.00 0.00 174.62 173.81 2e7c s LYS 60 N 0.78 2.58 0.00 3.99 2.20 0.70 -1.16 119.74 128.84 2e7c s LYS 60 Ca -0.06 -2.48 0.00 0.00 -0.36 0.00 0.00 55.97 53.07 2e7c s LYS 60 Cb -0.07 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2e7c s LYS 60 CO -0.04 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.18 2e7c n GLY 61 N 3.58 1.47 2.02 5.54 0.00 -0.99 -4.19 105.19 112.61 2e7c n GLY 61 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 2e7c n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7c n GLY 62 N -0.85 0.44 2.98 -0.02 0.00 -1.26 -5.03 105.19 101.45 2e7c n GLY 62 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2e7c n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e7c s ALA 63 N -2.00 -0.11 0.66 4.61 0.00 -1.26 -5.10 121.76 118.56 2e7c s ALA 63 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2e7c s ALA 63 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2e7c s ALA 63 CO 0.00 -0.10 1.11 -1.25 0.00 0.00 0.00 175.76 175.52 2e7c s PRO 64 N -0.67 2.79 0.54 0.00 0.04 -1.26 -0.21 135.00 136.23 2e7c s PRO 64 Ca -0.07 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.29 2e7c s PRO 64 Cb -0.05 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2e7c s PRO 64 CO 0.00 -1.25 0.86 -0.51 0.04 0.00 0.00 177.00 176.14 2e7c s LEU 65 N -4.89 3.41 -0.03 -3.56 1.02 -1.25 -4.80 118.68 108.58 2e7c s LEU 65 Ca 0.67 0.86 0.21 0.00 0.02 0.00 0.00 54.13 55.89 2e7c s LEU 65 Cb -0.20 -3.77 0.67 0.00 0.02 0.00 0.00 46.19 42.91 2e7c s LEU 65 CO 0.42 -0.83 1.57 -0.67 0.02 0.00 0.00 176.35 176.85 2e7c n ASP 66 N -2.45 4.20 -2.23 2.29 2.03 -1.26 -4.93 116.55 114.20 2e7c n ASP 66 Ca 0.03 -2.13 0.00 0.00 0.52 0.00 0.00 54.79 53.20 2e7c n ASP 66 Cb 0.56 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2e7c n ASP 66 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2e7c n THR 67 N 1.49 0.00 -0.09 5.18 -2.24 -1.26 -4.69 114.28 112.66 2e7c n THR 67 Ca 0.25 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.83 2e7c n THR 67 Cb 0.70 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.81 2e7c n THR 67 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e7c n SER 68 N -1.07 2.02 -0.00 3.42 2.88 -1.26 -4.60 113.62 115.00 2e7c n SER 68 Ca 0.00 -0.02 0.04 0.00 -1.33 0.00 0.00 58.87 57.55 2e7c n SER 68 Cb 0.41 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 63.27 2e7c n SER 68 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2e7c n ARG 69 N -3.37 2.11 -3.77 -1.46 1.85 -1.26 -4.99 116.66 105.76 2e7c n ARG 69 Ca -0.42 -0.04 -0.37 0.00 -1.00 0.00 0.00 57.85 56.01 2e7c n ARG 69 Cb 1.00 -1.04 -0.06 0.00 -1.05 0.00 0.00 32.46 31.30 2e7c n ARG 69 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2e7c s VAL 70 N -2.18 5.39 -0.38 8.89 1.01 -1.26 -4.79 120.40 127.08 2e7c s VAL 70 Ca -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2e7c s VAL 70 Cb 0.05 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 33.04 2e7c s VAL 70 CO 0.32 0.59 0.16 -2.28 0.00 0.00 0.00 175.10 173.88 2e7c s HIS 71 N -0.89 3.49 0.06 5.22 2.46 -1.10 -4.64 115.29 119.90 2e7c s HIS 71 Ca 0.16 -2.21 0.09 0.00 0.47 0.00 0.00 55.06 53.57 2e7c s HIS 71 Cb -0.13 -2.92 -0.03 0.00 -0.13 0.00 0.00 32.58 29.37 2e7c s HIS 71 CO 0.06 -0.92 -0.23 0.08 -2.47 0.00 0.00 174.74 171.26 2e7c s VAL 72 N 1.19 2.43 -0.31 0.89 1.01 -1.26 -1.82 120.40 122.53 2e7c s VAL 72 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2e7c s VAL 72 Cb -0.22 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.25 2e7c s VAL 72 CO -0.03 0.29 0.09 -0.13 0.00 0.00 0.00 175.10 175.32 2e7c s ARG 73 N -1.50 0.85 -0.06 2.72 1.81 -0.36 -5.02 118.95 117.39 2e7c s ARG 73 Ca 0.14 -1.21 -0.20 0.00 -1.72 0.00 0.00 55.73 52.73 2e7c s ARG 73 Cb -0.10 -2.20 -0.05 0.00 -0.45 0.00 0.00 34.95 32.15 2e7c s ARG 73 CO 0.04 -0.98 0.57 0.99 -0.68 0.00 0.00 175.30 175.25 2e7c s THR 74 N 1.49 5.04 -0.02 0.02 2.01 -1.26 -2.17 115.64 120.75 2e7c s THR 74 Ca 0.10 1.17 0.05 0.00 0.31 0.00 0.00 61.69 63.31 2e7c s THR 74 Cb -0.18 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2e7c s THR 74 CO -0.22 0.36 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.97 2e7c s SER 75 N 0.26 1.91 0.42 3.53 1.04 -0.59 -5.00 113.70 115.28 2e7c s SER 75 Ca 0.30 -0.30 0.35 0.00 0.48 0.00 0.00 55.95 56.79 2e7c s SER 75 Cb -0.17 -0.34 1.37 0.00 0.10 0.00 0.00 66.02 66.98 2e7c s SER 75 CO 0.15 0.17 1.32 -0.90 0.98 0.00 0.00 173.24 174.96 2e7c n ASP 76 N 2.88 0.09 0.03 7.02 5.75 -1.26 -0.78 116.55 130.28 2e7c n ASP 76 Ca -0.16 1.01 -0.01 0.00 -0.01 0.00 0.00 54.79 55.62 2e7c n ASP 76 Cb 0.54 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 2e7c n ASP 76 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2e7c h PHE 77 N 0.00 -0.08 -4.01 2.11 -1.00 -1.95 -3.47 116.94 108.55 2e7c h PHE 77 Ca 0.77 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.43 2e7c h PHE 77 Cb 2.82 0.03 -0.13 0.00 3.61 0.00 0.00 35.95 42.27 2e7c h PHE 77 CO -0.00 -0.05 -0.40 0.16 -1.61 0.00 0.00 178.31 176.41 2e7c s ASP 78 N -3.14 0.11 -0.02 2.17 1.47 0.04 -4.26 116.67 113.04 2e7c s ASP 78 Ca -0.01 -0.94 -0.05 0.00 1.18 0.00 0.00 52.55 52.72 2e7c s ASP 78 Cb 0.00 0.40 -0.04 0.00 -0.34 0.00 0.00 42.92 42.94 2e7c s ASP 78 CO 0.04 -0.85 0.21 0.28 0.68 0.00 0.00 175.17 175.53 2e7c s THR 79 N -3.98 5.39 -0.02 2.11 -1.32 -1.21 -1.54 115.64 115.06 2e7c s THR 79 Ca 0.18 0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.75 2e7c s THR 79 Cb 0.04 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 2e7c s THR 79 CO 0.00 0.40 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.02 2e7c s VAL 80 N -1.26 0.80 -0.08 5.08 1.01 -0.92 -2.17 120.40 122.85 2e7c s VAL 80 Ca 0.25 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2e7c s VAL 80 Cb -0.13 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2e7c s VAL 80 CO 0.15 0.24 -0.24 0.12 0.00 0.00 0.00 175.10 175.37 2e7c s PHE 81 N 0.12 2.52 0.00 5.22 2.19 -0.22 -1.23 117.98 126.57 2e7c s PHE 81 Ca -0.02 -0.93 -0.09 0.00 0.33 0.00 0.00 56.93 56.22 2e7c s PHE 81 Cb -0.08 -1.67 0.01 0.00 -1.31 0.00 0.00 43.02 39.97 2e7c s PHE 81 CO 0.00 -0.35 0.17 0.12 1.83 0.00 0.00 175.22 177.00 2e7c s PHE 82 N 0.16 -0.00 0.03 10.12 2.19 -0.76 -0.73 117.98 128.99 2e7c s PHE 82 Ca -0.13 -0.06 0.02 0.00 0.33 0.00 0.00 56.93 57.08 2e7c s PHE 82 Cb -0.16 -0.02 -0.02 0.00 -1.31 0.00 0.00 43.02 41.50 2e7c s PHE 82 CO 0.07 -0.32 -0.06 0.08 1.83 0.00 0.00 175.22 176.82 2e7c s VAL 83 N -1.44 0.42 0.10 3.12 1.01 -1.22 -2.71 120.40 119.68 2e7c s VAL 83 Ca -0.14 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.59 2e7c s VAL 83 Cb -0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 2e7c s VAL 83 CO 0.02 -0.38 1.65 -0.09 0.00 0.00 0.00 175.10 176.30 2e7c h ARG 84 N 4.63 -0.43 -4.20 2.72 2.43 -1.90 -3.10 114.38 114.52 2e7c h ARG 84 Ca -0.34 0.03 -0.42 0.00 -0.81 0.00 0.00 59.98 58.44 2e7c h ARG 84 Cb 1.20 0.10 -0.33 0.00 -0.42 0.00 0.00 29.97 30.52 2e7c h ARG 84 CO 0.41 -0.29 -0.78 1.14 -1.51 0.00 0.00 179.97 178.95 2e7c s GLN 85 N -6.09 0.92 -0.20 0.20 -2.07 -1.26 -4.20 119.66 106.96 2e7c s GLN 85 Ca -0.15 -0.18 -0.03 0.00 -1.82 0.00 0.00 55.36 53.18 2e7c s GLN 85 Cb 0.07 -0.88 0.01 0.00 -1.09 0.00 0.00 33.01 31.13 2e7c s GLN 85 CO 0.65 -0.02 2.57 0.00 -1.32 0.00 0.00 175.29 177.17 2e7c n ALA 86 N 3.79 5.46 -1.28 2.60 0.00 -0.08 -4.75 120.51 126.26 2e7c n ALA 86 Ca -0.23 -1.63 -0.38 0.00 0.00 0.00 0.00 53.44 51.20 2e7c n ALA 86 Cb 0.52 -1.69 0.04 0.00 0.00 0.00 0.00 19.45 18.32 2e7c n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7c n ALA 87 N 1.25 -2.44 -0.33 0.00 0.00 -1.26 -4.05 120.51 113.68 2e7c n ALA 87 Ca 0.30 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.60 2e7c n ALA 87 Cb 0.63 -1.60 0.09 0.00 0.00 0.00 0.00 19.45 18.57 2e7c n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7c h ARG 88 N -0.16 -0.02 -0.88 0.00 3.08 -1.93 0.10 114.38 114.58 2e7c h ARG 88 Ca -0.44 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.76 2e7c h ARG 88 Cb 1.39 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.30 2e7c h ARG 88 CO 0.41 -0.01 -0.37 0.66 -1.07 0.00 0.00 179.97 179.60 2e7c h SER 89 N -0.02 -1.33 -0.77 7.04 4.64 -1.98 0.19 113.55 121.33 2e7c h SER 89 Ca 0.40 0.29 0.18 0.00 -0.47 0.00 0.00 61.79 62.18 2e7c h SER 89 Cb 0.64 0.70 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 2e7c h SER 89 CO -0.93 -0.29 -0.10 0.47 -0.87 0.00 0.00 176.83 175.10 2e7c n ASP 90 N -5.47 -0.20 -4.09 4.97 9.92 0.36 -4.45 116.55 117.59 2e7c n ASP 90 Ca 0.09 1.32 -0.58 0.00 -0.53 0.00 0.00 54.79 55.09 2e7c n ASP 90 Cb 0.39 -0.43 -0.09 0.00 -0.64 0.00 0.00 41.12 40.34 2e7c n ASP 90 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2e7c n SER 91 N -5.18 0.96 0.00 -2.24 3.41 0.68 -4.78 113.62 106.47 2e7c n SER 91 Ca 0.15 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2e7c n SER 91 Cb 0.48 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2e7c n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7c n GLY 92 N 4.41 2.10 2.77 5.00 0.00 -0.33 -4.96 105.19 114.18 2e7c n GLY 92 Ca 0.33 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2e7c n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e7c s GLU 93 N 2.07 0.80 -0.27 1.61 2.12 -1.26 -1.18 118.70 122.57 2e7c s GLU 93 Ca 0.00 -0.39 -0.14 0.00 0.36 0.00 0.00 54.97 54.79 2e7c s GLU 93 Cb 0.00 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 2e7c s GLU 93 CO 0.00 -0.57 0.34 0.71 -0.54 0.00 0.00 175.26 175.20 2e7c s TYR 94 N 1.82 3.24 -0.33 5.30 1.51 -0.69 -2.34 117.35 125.85 2e7c s TYR 94 Ca -0.00 0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 56.29 2e7c s TYR 94 Cb -0.16 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.14 2e7c s TYR 94 CO -0.07 -0.23 0.19 -2.00 -1.11 0.00 0.00 175.55 172.33 2e7c s GLU 95 N 2.02 3.32 -0.18 -0.62 2.12 -0.31 0.28 118.70 125.33 2e7c s GLU 95 Ca 0.13 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.58 2e7c s GLU 95 Cb -0.16 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2e7c s GLU 95 CO 0.10 -0.47 0.31 -1.17 -0.54 0.00 0.00 175.26 173.50 2e7c s LEU 96 N 1.64 4.21 -0.12 2.70 0.20 0.41 -2.94 118.68 124.79 2e7c s LEU 96 Ca 0.05 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.34 2e7c s LEU 96 Cb -0.17 -2.40 0.03 0.00 -0.43 0.00 0.00 46.19 43.22 2e7c s LEU 96 CO 0.08 0.04 -0.05 -0.44 -0.29 0.00 0.00 176.35 175.69 2e7c s SER 97 N 0.70 2.20 -0.37 3.68 0.01 -1.17 0.49 113.70 119.24 2e7c s SER 97 Ca 0.17 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.89 2e7c s SER 97 Cb -0.14 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2e7c s SER 97 CO 0.05 -0.16 0.57 -0.69 0.41 0.00 0.00 173.24 173.42 2e7c s VAL 98 N 1.76 4.95 -0.15 3.43 1.01 -0.63 -2.53 120.40 128.24 2e7c s VAL 98 Ca 0.04 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 2e7c s VAL 98 Cb -0.13 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2e7c s VAL 98 CO -0.07 -0.33 0.39 -1.58 0.00 0.00 0.00 175.10 173.50 2e7c s GLN 99 N 2.54 4.28 0.28 2.72 0.74 -0.99 -0.31 119.66 128.92 2e7c s GLN 99 Ca 0.20 0.26 0.11 0.00 0.05 0.00 0.00 55.36 55.99 2e7c s GLN 99 Cb -0.15 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 2e7c s GLN 99 CO 0.15 0.16 -0.15 0.42 -0.55 0.00 0.00 175.29 175.32 2e7c s ILE 100 N 0.67 2.69 0.18 -2.34 -1.09 0.16 -1.59 121.20 119.88 2e7c s ILE 100 Ca 0.21 -2.29 -0.03 0.00 -2.23 0.00 0.00 60.65 56.31 2e7c s ILE 100 Cb -0.14 -2.43 0.28 0.00 -1.58 0.00 0.00 42.46 38.59 2e7c s ILE 100 CO 0.07 -0.39 0.98 -0.62 -1.23 0.00 0.00 174.94 173.76 2e7c n GLU 101 N -0.69 -0.05 0.00 2.79 1.02 -1.26 -3.28 120.64 119.17 2e7c n GLU 101 Ca -0.05 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 2e7c n GLU 101 Cb 0.60 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2e7c n GLU 101 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2e7c n ASN 102 N -4.96 2.20 -4.92 1.62 2.85 -1.26 -5.09 115.26 105.70 2e7c n ASN 102 Ca 0.12 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.32 2e7c n ASN 102 Cb 0.37 0.20 0.05 0.00 1.24 0.00 0.00 39.78 41.63 2e7c n ASN 102 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2e7c s MET 103 N -1.45 2.66 -0.02 1.20 -1.94 -1.21 -5.11 119.30 113.44 2e7c s MET 103 Ca 0.00 -0.00 -0.26 0.00 -1.71 0.00 0.00 55.69 53.72 2e7c s MET 103 Cb 0.00 -2.19 0.06 0.00 2.01 0.00 0.00 34.83 34.70 2e7c s MET 103 CO 0.00 -0.94 0.57 0.21 -0.01 0.00 0.00 175.02 174.84 2e7c s LYS 104 N -5.14 0.97 0.10 2.03 2.36 -1.26 0.38 119.74 119.17 2e7c s LYS 104 Ca 0.57 0.05 0.00 0.00 -2.55 0.00 0.00 55.97 54.04 2e7c s LYS 104 Cb -0.11 0.45 -0.04 0.00 -1.05 0.00 0.00 37.83 37.08 2e7c s LYS 104 CO 0.46 -0.31 -0.02 -0.51 1.55 0.00 0.00 175.35 176.52 2e7c s ASP 105 N -1.40 0.73 0.06 1.43 1.11 0.57 -4.93 116.67 114.24 2e7c s ASP 105 Ca -0.10 -1.07 -0.05 0.00 0.18 0.00 0.00 52.55 51.50 2e7c s ASP 105 Cb -0.01 0.18 -0.02 0.00 1.07 0.00 0.00 42.92 44.14 2e7c s ASP 105 CO 0.06 -0.59 0.09 0.42 1.18 0.00 0.00 175.17 176.34 2e7c s THR 106 N -3.83 0.16 -0.06 -1.27 -4.23 -1.26 -1.60 115.64 103.55 2e7c s THR 106 Ca 0.14 -1.35 -0.29 0.00 -1.18 0.00 0.00 61.69 59.01 2e7c s THR 106 Cb 0.07 -1.27 0.10 0.00 1.34 0.00 0.00 72.50 72.74 2e7c s THR 106 CO -0.04 -0.75 0.83 0.00 -0.54 0.00 0.00 174.62 174.12 2e7c s ALA 107 N -3.52 -1.82 -0.04 3.99 0.00 0.18 -4.93 121.76 115.63 2e7c s ALA 107 Ca 0.03 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.30 2e7c s ALA 107 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2e7c s ALA 107 CO -0.09 -0.46 -0.20 0.99 0.00 0.00 0.00 175.76 176.01 2e7c s THR 108 N -1.83 1.62 0.04 0.00 2.01 -1.26 -0.44 115.64 115.77 2e7c s THR 108 Ca -0.03 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2e7c s THR 108 Cb -0.00 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2e7c s THR 108 CO 0.01 0.46 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.52 2e7c s ILE 109 N -0.14 2.02 -0.25 1.82 1.01 0.14 -4.97 121.20 120.84 2e7c s ILE 109 Ca -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.27 2e7c s ILE 109 Cb -0.11 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.63 2e7c s ILE 109 CO 0.02 0.34 -0.00 -0.13 0.00 0.00 0.00 174.94 175.17 2e7c s ARG 110 N -1.18 3.19 -0.18 2.79 0.52 -1.26 -1.71 118.95 121.11 2e7c s ARG 110 Ca 0.11 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 2e7c s ARG 110 Cb -0.10 -3.14 0.01 0.00 0.52 0.00 0.00 34.95 32.24 2e7c s ARG 110 CO 0.02 -0.32 -0.14 0.42 0.02 0.00 0.00 175.30 175.30 2e7c s ILE 111 N 1.46 2.62 -0.11 1.52 1.01 -0.33 -0.78 121.20 126.60 2e7c s ILE 111 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2e7c s ILE 111 Cb -0.16 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2e7c s ILE 111 CO -0.01 0.50 -0.22 -0.60 0.00 0.00 0.00 174.94 174.60 2e7c s ARG 112 N 1.20 2.89 -0.03 2.79 3.52 0.24 -1.18 118.95 128.38 2e7c s ARG 112 Ca 0.02 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.78 2e7c s ARG 112 Cb -0.14 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 2e7c s ARG 112 CO -0.06 0.12 0.10 0.08 -0.81 0.00 0.00 175.30 174.72 2e7c s VAL 113 N 0.50 4.91 0.00 7.11 1.01 -1.26 -1.45 120.40 131.22 2e7c s VAL 113 Ca -0.16 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2e7c s VAL 113 Cb -0.17 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2e7c s VAL 113 CO 0.06 0.41 -0.08 0.68 0.00 0.00 0.00 175.10 176.17 2e7c s VAL 114 N -1.16 0.65 0.25 2.92 -7.23 0.57 -4.92 120.40 111.48 2e7c s VAL 114 Ca 0.21 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 2e7c s VAL 114 Cb -0.12 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 2e7c s VAL 114 CO 0.12 0.09 1.22 -1.61 -0.31 0.00 0.00 175.10 174.62 2e7c s GLU 115 N -0.43 4.48 -0.12 4.82 2.02 -1.26 -0.85 118.70 127.35 2e7c s GLU 115 Ca 0.01 1.98 -0.38 0.00 0.02 0.00 0.00 54.97 56.60 2e7c s GLU 115 Cb -0.04 -3.18 -0.15 0.00 0.10 0.00 0.00 34.13 30.86 2e7c s GLU 115 CO -0.00 -0.07 1.64 1.17 0.02 0.00 0.00 175.26 178.02 2e7c n LYS 116 N 1.80 1.37 -1.79 1.61 0.00 -1.26 -4.80 118.16 115.09 2e7c n LYS 116 Ca 0.02 0.50 -0.38 0.00 0.00 0.00 0.00 58.31 58.46 2e7c n LYS 116 Cb 0.44 -2.20 -0.03 0.00 0.00 0.00 0.00 35.03 33.23 2e7c n LYS 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e7c s ALA 117 N 2.60 1.97 0.00 3.14 0.00 -1.26 -5.11 121.76 123.10 2e7c s ALA 117 Ca 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2e7c s ALA 117 Cb -0.96 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 17.86 2e7c s ALA 117 CO 0.57 -4.06 0.00 0.41 0.00 0.00 0.00 175.76 172.68