#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9i n SER 2 N 0.00 -1.36 -0.09 1.61 2.88 -1.26 -4.83 113.62 110.57 2e9i n SER 2 Ca 0.00 -1.22 -0.12 0.00 -1.33 0.00 0.00 58.87 56.20 2e9i n SER 2 Cb 0.00 -1.77 -0.05 0.00 -0.75 0.00 0.00 64.21 61.64 2e9i n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e9i n SER 3 N -2.59 1.84 0.00 -3.46 2.88 -1.26 -5.09 113.62 105.95 2e9i n SER 3 Ca 0.01 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2e9i n SER 3 Cb 0.51 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2e9i n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9i n GLY 4 N 1.52 -1.16 3.51 0.46 0.00 -1.26 -4.95 105.19 103.31 2e9i n GLY 4 Ca -0.18 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 2e9i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9i s SER 5 N -4.00 -0.77 -0.25 1.61 0.01 -1.26 -5.14 113.70 103.90 2e9i s SER 5 Ca 0.00 1.29 -0.03 0.00 1.31 0.00 0.00 55.95 58.52 2e9i s SER 5 Cb 0.00 1.19 0.14 0.00 0.21 0.00 0.00 66.02 67.56 2e9i s SER 5 CO 0.00 -0.22 0.40 -0.44 0.41 0.00 0.00 173.24 173.39 2e9i s SER 6 N 1.34 0.09 1.13 2.44 0.01 -1.26 -5.09 113.70 112.37 2e9i s SER 6 Ca -0.08 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2e9i s SER 6 Cb -0.06 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2e9i s SER 6 CO -0.14 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2e9i n GLY 7 N 5.37 2.39 3.12 3.44 0.00 -1.26 -4.65 105.19 113.60 2e9i n GLY 7 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 2e9i n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9i s ARG 8 N 0.00 0.46 -0.14 1.61 0.52 -1.26 -5.15 118.95 114.99 2e9i s ARG 8 Ca 0.00 0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 56.05 2e9i s ARG 8 Cb 0.00 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 2e9i s ARG 8 CO 0.00 -0.55 -0.03 0.08 0.02 0.00 0.00 175.30 174.81 2e9i s VAL 9 N 2.72 3.94 -0.44 3.52 1.01 -1.26 -5.07 120.40 124.82 2e9i s VAL 9 Ca 0.13 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2e9i s VAL 9 Cb -0.15 -2.71 0.12 0.00 0.00 0.00 0.00 36.38 33.65 2e9i s VAL 9 CO -0.18 0.51 0.20 -0.75 0.00 0.00 0.00 175.10 174.88 2e9i s LYS 10 N 0.13 1.48 0.04 2.72 2.20 -1.26 -5.11 119.74 119.94 2e9i s LYS 10 Ca -0.01 -2.09 -0.00 0.00 -0.36 0.00 0.00 55.97 53.51 2e9i s LYS 10 Cb -0.14 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 2e9i s LYS 10 CO 0.03 -1.09 0.16 -1.21 -0.36 0.00 0.00 175.35 172.88 2e9i s GLU 11 N 0.36 3.28 1.10 4.03 2.02 -1.26 -5.09 118.70 123.15 2e9i s GLU 11 Ca 0.15 -0.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.49 2e9i s GLU 11 Cb -0.23 -2.97 0.09 0.00 0.10 0.00 0.00 34.13 31.11 2e9i s GLU 11 CO -0.04 0.62 -0.04 0.43 0.02 0.00 0.00 175.26 176.26 2e9i n SER 12 N 0.62 -2.40 -4.38 -0.19 7.64 -1.26 -4.83 113.62 108.83 2e9i n SER 12 Ca -0.08 -0.08 -0.40 0.00 1.01 0.00 0.00 58.87 59.31 2e9i n SER 12 Cb 0.52 -0.95 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 2e9i n SER 12 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2e9i n ILE 13 N -4.31 1.24 -3.80 0.44 -5.35 -1.26 -4.94 119.36 101.37 2e9i n ILE 13 Ca 0.01 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 2e9i n ILE 13 Cb 0.62 -0.33 -0.12 0.00 -1.74 0.00 0.00 39.64 38.07 2e9i n ILE 13 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2e9i s THR 14 N -1.70 4.34 -0.01 7.28 -1.32 -1.26 -4.94 115.64 118.04 2e9i s THR 14 Ca 0.62 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.95 2e9i s THR 14 Cb -0.55 -3.02 0.02 0.00 -1.51 0.00 0.00 72.50 67.43 2e9i s THR 14 CO 0.60 0.35 1.00 -2.11 -2.21 0.00 0.00 174.62 172.25 2e9i n ARG 15 N 4.76 2.85 -3.15 7.08 0.00 -1.26 -4.78 116.66 122.17 2e9i n ARG 15 Ca -0.16 -1.54 0.04 0.00 -0.00 0.00 0.00 57.85 56.19 2e9i n ARG 15 Cb 0.52 -1.02 -0.01 0.00 -0.00 0.00 0.00 32.46 31.95 2e9i n ARG 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2e9i s THR 16 N -1.08 -1.00 -0.29 8.89 2.01 -1.26 -5.15 115.64 117.76 2e9i s THR 16 Ca 0.02 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 2e9i s THR 16 Cb 0.01 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.69 2e9i s THR 16 CO 0.00 0.00 1.26 -0.55 -0.69 0.00 0.00 174.62 174.64 2e9i s SER 17 N 2.86 -0.22 -0.49 3.53 0.15 -1.26 -5.13 113.70 113.14 2e9i s SER 17 Ca 0.20 0.42 -0.17 0.00 0.70 0.00 0.00 55.95 57.11 2e9i s SER 17 Cb -0.15 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2e9i s SER 17 CO -0.21 -0.07 0.47 -0.13 1.20 0.00 0.00 173.24 174.50 2e9i s ARG 18 N 0.25 3.02 -0.02 5.44 0.52 -1.26 -4.94 118.95 121.96 2e9i s ARG 18 Ca 0.04 -1.27 0.08 0.00 -0.52 0.00 0.00 55.73 54.06 2e9i s ARG 18 Cb -0.05 -4.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.26 2e9i s ARG 18 CO -0.12 -1.12 -0.25 0.00 0.02 0.00 0.00 175.30 173.84 2e9i s ALA 19 N 1.92 2.23 0.06 2.13 0.00 -1.26 -4.46 121.76 122.39 2e9i s ALA 19 Ca 0.07 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 2e9i s ALA 19 Cb -0.23 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 2e9i s ALA 19 CO 0.08 0.53 1.40 -1.25 0.00 0.00 0.00 175.76 176.52 2e9i s PRO 20 N -0.71 4.31 -0.28 0.00 0.04 -1.26 -4.69 135.00 132.40 2e9i s PRO 20 Ca 0.10 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2e9i s PRO 20 Cb -0.10 -3.41 0.12 0.00 0.04 0.00 0.00 34.50 31.15 2e9i s PRO 20 CO -0.00 -0.50 0.63 0.45 0.04 0.00 0.00 177.00 177.62 2e9i s SER 21 N 1.49 -1.01 0.04 6.66 0.15 -1.26 -5.10 113.70 114.67 2e9i s SER 21 Ca 0.64 1.50 -0.30 0.00 0.70 0.00 0.00 55.95 58.49 2e9i s SER 21 Cb -0.34 2.01 -0.07 0.00 -1.71 0.00 0.00 66.02 65.91 2e9i s SER 21 CO 0.29 -0.22 1.45 0.68 1.20 0.00 0.00 173.24 176.63 2e9i s VAL 22 N 2.60 3.50 -0.26 4.45 -7.23 -1.26 -4.60 120.40 117.60 2e9i s VAL 22 Ca -0.06 0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 60.95 2e9i s VAL 22 Cb -0.11 -3.61 0.10 0.00 0.56 0.00 0.00 36.38 33.33 2e9i s VAL 22 CO -0.18 0.01 0.57 0.00 -0.31 0.00 0.00 175.10 175.19 2e9i s ALA 23 N 2.16 -1.69 -0.03 1.32 0.00 -1.26 -5.04 121.76 117.22 2e9i s ALA 23 Ca 0.66 2.07 -0.03 0.00 0.00 0.00 0.00 51.96 54.65 2e9i s ALA 23 Cb -0.34 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2e9i s ALA 23 CO 0.28 -0.73 0.15 0.99 0.00 0.00 0.00 175.76 176.46 2e9i s THR 24 N 2.47 5.30 -0.19 0.00 2.01 -1.26 -2.38 115.64 121.59 2e9i s THR 24 Ca -0.06 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 2e9i s THR 24 Cb -0.10 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2e9i s THR 24 CO -0.17 0.40 0.39 0.54 -0.69 0.00 0.00 174.62 175.08 2e9i s VAL 25 N -1.23 5.22 0.00 3.82 0.11 -1.19 -4.24 120.40 122.88 2e9i s VAL 25 Ca 0.24 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 2e9i s VAL 25 Cb -0.12 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2e9i s VAL 25 CO 0.14 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 2e9i n GLY 26 N 3.78 0.96 3.52 6.54 0.00 -1.26 -4.84 105.19 113.89 2e9i n GLY 26 Ca -0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 2e9i n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9i s SER 27 N -2.68 -0.32 -0.13 1.61 0.15 -1.26 -5.12 113.70 105.95 2e9i s SER 27 Ca 0.00 -0.00 -0.29 0.00 0.70 0.00 0.00 55.95 56.35 2e9i s SER 27 Cb 0.00 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2e9i s SER 27 CO 0.00 -0.55 1.12 -0.63 1.20 0.00 0.00 173.24 174.38 2e9i s ILE 28 N -2.98 4.51 -0.17 6.45 1.01 -1.26 -4.18 121.20 124.57 2e9i s ILE 28 Ca 0.06 1.81 -0.03 0.00 0.00 0.00 0.00 60.65 62.49 2e9i s ILE 28 Cb -0.01 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2e9i s ILE 28 CO -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 174.94 174.72 2e9i s ASP 30 N 0.82 6.67 -0.51 0.00 1.47 -1.26 -3.29 116.67 120.57 2e9i s ASP 30 Ca -0.02 0.71 -0.11 0.00 1.18 0.00 0.00 52.55 54.30 2e9i s ASP 30 Cb -0.15 -2.55 0.13 0.00 -0.34 0.00 0.00 42.92 40.01 2e9i s ASP 30 CO 0.01 -1.18 0.41 -0.22 0.68 0.00 0.00 175.17 174.87 2e9i s LEU 31 N 4.39 5.87 -0.31 2.11 2.96 0.11 -4.96 118.68 128.85 2e9i s LEU 31 Ca 0.50 -1.94 -0.22 0.00 -0.22 0.00 0.00 54.13 52.25 2e9i s LEU 31 Cb -0.10 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 2e9i s LEU 31 CO 0.27 -0.73 0.70 0.54 -1.32 0.00 0.00 176.35 175.82 2e9i s ASN 32 N 2.84 6.56 -0.09 3.68 4.22 -1.26 -1.42 114.94 129.47 2e9i s ASN 32 Ca 0.06 0.50 0.01 0.00 -2.14 0.00 0.00 52.86 51.29 2e9i s ASN 32 Cb -0.26 -2.36 -0.02 0.00 1.28 0.00 0.00 41.25 39.88 2e9i s ASN 32 CO -0.00 -0.55 -0.13 -0.76 -2.04 0.00 0.00 177.10 173.62 2e9i s LEU 33 N 2.78 2.77 -1.19 3.54 1.43 -1.16 -5.03 118.68 121.80 2e9i s LEU 33 Ca 0.28 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 2e9i s LEU 33 Cb -0.14 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2e9i s LEU 33 CO 0.12 0.25 1.95 2.29 0.23 0.00 0.00 176.35 181.20 2e9i n LYS 34 N 2.94 2.36 -3.52 1.70 2.85 -1.26 -3.70 118.16 119.52 2e9i n LYS 34 Ca -0.18 -2.60 -0.38 0.00 -1.05 0.00 0.00 58.31 54.11 2e9i n LYS 34 Cb 0.52 -3.37 -0.06 0.00 -0.65 0.00 0.00 35.03 31.48 2e9i n LYS 34 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2e9i s ILE 35 N 5.70 5.10 0.25 0.58 1.01 -1.26 -5.07 121.20 127.52 2e9i s ILE 35 Ca 0.56 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 2e9i s ILE 35 Cb 0.08 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.92 2e9i s ILE 35 CO 0.06 0.55 0.23 -0.81 0.00 0.00 0.00 174.94 174.97 2e9i n PRO 36 N 2.07 -1.46 -0.37 2.79 -0.04 -1.26 -3.85 135.00 132.88 2e9i n PRO 36 Ca -0.14 -0.36 0.35 0.00 -0.04 0.00 0.00 63.50 63.31 2e9i n PRO 36 Cb 0.52 -0.34 0.53 0.00 -0.04 0.00 0.00 33.50 34.18 2e9i n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2e9i n GLU 37 N -2.20 0.01 -1.33 0.54 0.00 -1.26 -4.58 120.64 111.82 2e9i n GLU 37 Ca 0.03 0.97 -0.51 0.00 0.00 0.00 0.00 57.16 57.65 2e9i n GLU 37 Cb 0.12 -2.36 -0.07 0.00 0.00 0.00 0.00 31.44 29.14 2e9i n GLU 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2e9i n ILE 38 N -3.35 0.24 -3.67 6.31 5.41 -1.26 -4.88 119.36 118.15 2e9i n ILE 38 Ca 0.29 -0.06 -0.30 0.00 1.00 0.00 0.00 62.75 63.68 2e9i n ILE 38 Cb 1.60 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 40.49 2e9i n ILE 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2e9i s ASN 39 N -0.12 6.45 0.11 4.38 0.01 -1.26 -4.94 114.94 119.56 2e9i s ASN 39 Ca 0.78 0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 53.23 2e9i s ASN 39 Cb -1.09 -2.06 -0.10 0.00 0.41 0.00 0.00 41.25 38.41 2e9i s ASN 39 CO 0.51 0.02 1.72 0.77 -1.51 0.00 0.00 177.10 178.60 2e9i h SER 40 N 2.52 -0.15 -1.23 -1.22 4.64 -1.91 -2.11 113.55 114.08 2e9i h SER 40 Ca -0.47 0.03 0.40 0.00 -0.47 0.00 0.00 61.79 61.29 2e9i h SER 40 Cb 1.17 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.24 2e9i h SER 40 CO 0.71 -0.07 0.83 -1.54 -0.87 0.00 0.00 176.83 175.89 2e9i n SER 41 N -5.17 0.12 0.03 4.97 3.41 -1.26 0.20 113.62 115.93 2e9i n SER 41 Ca -0.05 1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 59.36 2e9i n SER 41 Cb 0.10 -0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 63.40 2e9i n SER 41 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2e9i h ASP 42 N 0.00 0.48 -4.27 4.04 3.32 -1.81 -3.47 116.42 114.71 2e9i h ASP 42 Ca 0.72 -0.91 -0.47 0.00 0.02 0.00 0.00 57.03 56.39 2e9i h ASP 42 Cb 2.48 -0.16 0.12 0.00 0.22 0.00 0.00 39.33 42.00 2e9i h ASP 42 CO -0.28 1.77 0.32 -0.04 -1.72 0.00 0.00 179.24 179.29 2e9i s MET 43 N -2.54 1.50 -0.18 3.56 -1.94 0.54 -3.92 119.30 116.32 2e9i s MET 43 Ca -0.20 0.41 -0.07 0.00 -1.71 0.00 0.00 55.69 54.12 2e9i s MET 43 Cb 0.06 -1.87 0.08 0.00 2.01 0.00 0.00 34.83 35.10 2e9i s MET 43 CO 0.80 -1.98 0.38 -1.12 -0.01 0.00 0.00 175.02 173.09 2e9i s SER 44 N -4.00 -0.18 -0.13 3.03 0.01 -0.96 -4.86 113.70 106.60 2e9i s SER 44 Ca 0.63 0.89 -0.03 0.00 1.31 0.00 0.00 55.95 58.74 2e9i s SER 44 Cb -0.15 1.11 -0.03 0.00 0.21 0.00 0.00 66.02 67.16 2e9i s SER 44 CO 0.53 -0.23 -0.01 0.00 0.41 0.00 0.00 173.24 173.95 2e9i s ALA 45 N 2.34 3.17 -0.18 1.44 0.00 -1.26 -2.68 121.76 124.59 2e9i s ALA 45 Ca -0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 2e9i s ALA 45 Cb -0.11 -1.57 0.06 0.00 0.00 0.00 0.00 23.12 21.50 2e9i s ALA 45 CO -0.12 0.36 0.42 -1.01 0.00 0.00 0.00 175.76 175.42 2e9i s HIS 46 N -0.15 -0.65 -0.52 0.00 3.76 -1.09 -2.36 115.29 114.27 2e9i s HIS 46 Ca 0.04 1.36 -0.27 0.00 -0.15 0.00 0.00 55.06 56.05 2e9i s HIS 46 Cb -0.13 0.29 0.03 0.00 1.11 0.00 0.00 32.58 33.88 2e9i s HIS 46 CO 0.02 -0.37 1.04 0.08 -0.85 0.00 0.00 174.74 174.66 2e9i s VAL 47 N 1.60 4.27 -0.35 -0.90 1.01 -0.63 -0.27 120.40 125.12 2e9i s VAL 47 Ca -0.08 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 2e9i s VAL 47 Cb -0.09 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.73 2e9i s VAL 47 CO -0.13 -1.09 0.92 -0.89 0.00 0.00 0.00 175.10 173.91 2e9i s THR 48 N 4.28 4.61 0.58 3.92 2.01 0.76 -0.87 115.64 130.94 2e9i s THR 48 Ca 0.39 1.24 -0.18 0.00 0.31 0.00 0.00 61.69 63.45 2e9i s THR 48 Cb -0.09 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2e9i s THR 48 CO 0.25 -0.48 1.11 -0.94 -0.69 0.00 0.00 174.62 173.87 2e9i s SER 49 N 1.81 5.53 0.00 3.53 1.04 0.12 -3.39 113.70 122.35 2e9i s SER 49 Ca 0.38 2.08 0.16 0.00 0.48 0.00 0.00 55.95 59.05 2e9i s SER 49 Cb -0.12 -2.57 0.92 0.00 0.10 0.00 0.00 66.02 64.35 2e9i s SER 49 CO 0.17 -1.34 1.35 -0.81 0.98 0.00 0.00 173.24 173.59 2e9i n PRO 50 N -1.73 0.47 -0.09 4.02 -0.04 -1.24 -2.38 135.00 134.02 2e9i n PRO 50 Ca 0.11 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2e9i n PRO 50 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 2e9i n PRO 50 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2e9i n SER 51 N -1.02 0.52 0.00 3.54 3.41 -1.26 -4.99 113.62 113.81 2e9i n SER 51 Ca 0.11 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2e9i n SER 51 Cb 0.06 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2e9i n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9i n GLY 52 N 1.82 0.93 3.80 5.00 0.00 -1.00 -5.13 105.19 110.60 2e9i n GLY 52 Ca -0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2e9i n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9i s ARG 53 N 0.00 4.39 -0.12 1.61 3.00 -1.26 -4.84 118.95 121.73 2e9i s ARG 53 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 55.73 56.98 2e9i s ARG 53 Cb 0.00 -2.48 -0.00 0.00 0.00 0.00 0.00 34.95 32.47 2e9i s ARG 53 CO 0.00 0.11 -0.21 0.08 0.00 0.00 0.00 175.30 175.28 2e9i s VAL 54 N -1.90 2.29 0.20 3.52 1.01 -1.26 0.13 120.40 124.38 2e9i s VAL 54 Ca 0.56 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2e9i s VAL 54 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2e9i s VAL 54 CO 0.18 0.55 0.23 -0.89 0.00 0.00 0.00 175.10 175.17 2e9i s THR 55 N 0.45 4.81 0.13 3.92 2.01 -0.05 -4.95 115.64 121.95 2e9i s THR 55 Ca -0.15 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 2e9i s THR 55 Cb -0.17 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2e9i s THR 55 CO 0.06 -0.22 0.37 -0.70 -0.69 0.00 0.00 174.62 173.44 2e9i s GLU 56 N -3.52 3.62 0.21 4.92 2.12 -1.26 -1.60 118.70 123.19 2e9i s GLU 56 Ca 0.33 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.63 2e9i s GLU 56 Cb -0.09 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 2e9i s GLU 56 CO 0.26 0.49 -0.07 0.00 -0.54 0.00 0.00 175.26 175.40 2e9i s ALA 57 N -1.61 1.85 0.03 6.30 0.00 -1.00 -4.78 121.76 122.55 2e9i s ALA 57 Ca 0.39 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.71 2e9i s ALA 57 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2e9i s ALA 57 CO 0.24 -0.12 -0.10 -2.00 0.00 0.00 0.00 175.76 173.78 2e9i s GLU 58 N -3.77 2.34 -0.45 0.00 2.12 -1.25 -4.73 118.70 112.97 2e9i s GLU 58 Ca 0.24 -0.85 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 2e9i s GLU 58 Cb 0.03 -2.38 0.12 0.00 0.26 0.00 0.00 34.13 32.16 2e9i s GLU 58 CO 0.07 0.57 0.26 0.42 -0.54 0.00 0.00 175.26 176.03 2e9i s ILE 59 N -1.03 3.50 0.06 -3.70 1.01 -1.26 -2.73 121.20 117.05 2e9i s ILE 59 Ca 0.17 -2.13 -0.31 0.00 0.00 0.00 0.00 60.65 58.39 2e9i s ILE 59 Cb -0.11 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 2e9i s ILE 59 CO 0.08 -0.73 1.63 -0.69 0.00 0.00 0.00 174.94 175.23 2e9i s VAL 60 N 1.02 3.14 -1.18 2.92 1.01 0.17 -4.87 120.40 122.60 2e9i s VAL 60 Ca 0.09 0.56 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 2e9i s VAL 60 Cb -0.23 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2e9i s VAL 60 CO -0.04 -0.00 1.93 -2.16 0.00 0.00 0.00 175.10 174.83 2e9i s PRO 61 N 2.67 2.50 0.23 2.72 0.04 -1.26 -2.55 135.00 139.35 2e9i s PRO 61 Ca 0.73 -1.16 -0.11 0.00 0.04 0.00 0.00 61.00 60.50 2e9i s PRO 61 Cb -0.39 -5.24 0.32 0.00 0.04 0.00 0.00 34.50 29.23 2e9i s PRO 61 CO 0.32 -3.98 1.61 0.52 0.04 0.00 0.00 177.00 175.51 2e9i h MET 62 N 9.74 0.02 0.00 4.56 2.86 -1.90 -3.46 114.93 126.74 2e9i h MET 62 Ca 0.22 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2e9i h MET 62 Cb 0.94 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2e9i h MET 62 CO 1.22 0.01 0.00 0.41 1.06 0.00 0.00 176.91 179.62 2e9i n GLY 63 N -1.47 1.31 2.36 8.32 0.00 -1.26 -5.11 105.19 109.34 2e9i n GLY 63 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2e9i n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2e9i n LYS 64 N 0.00 0.86 0.06 1.61 2.85 -1.26 -4.98 118.16 117.30 2e9i n LYS 64 Ca 0.00 -2.42 0.17 0.00 -1.05 0.00 0.00 58.31 55.00 2e9i n LYS 64 Cb 0.00 1.07 0.38 0.00 -0.65 0.00 0.00 35.03 35.83 2e9i n LYS 64 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 2e9i h ASN 65 N 1.01 0.00 -3.66 -5.58 -1.07 -1.85 -3.38 115.58 101.05 2e9i h ASN 65 Ca -0.24 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.62 2e9i h ASN 65 Cb 0.85 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.09 2e9i h ASN 65 CO 0.39 0.00 0.42 -0.44 0.07 0.00 0.00 177.43 177.87 2e9i s SER 66 N -3.67 7.42 0.10 6.14 0.01 -1.25 -4.22 113.70 118.24 2e9i s SER 66 Ca -0.02 2.02 0.10 0.00 1.31 0.00 0.00 55.95 59.36 2e9i s SER 66 Cb 0.09 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2e9i s SER 66 CO 0.31 -0.07 -0.26 -1.00 0.41 0.00 0.00 173.24 172.63 2e9i s HIS 67 N -0.60 2.26 -0.28 2.43 3.76 -1.24 -4.18 115.29 117.43 2e9i s HIS 67 Ca 0.46 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2e9i s HIS 67 Cb -0.28 -1.27 0.07 0.00 1.11 0.00 0.00 32.58 32.21 2e9i s HIS 67 CO 0.34 0.26 -0.06 0.00 -0.85 0.00 0.00 174.74 174.43 2e9i s VAL 69 N 1.09 5.16 -0.14 0.00 1.01 -0.51 0.42 120.40 127.44 2e9i s VAL 69 Ca -0.05 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 2e9i s VAL 69 Cb -0.20 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2e9i s VAL 69 CO -0.05 0.08 -0.13 -0.13 0.00 0.00 0.00 175.10 174.87 2e9i s ARG 70 N 2.08 3.35 0.25 2.72 0.52 -1.11 0.07 118.95 126.83 2e9i s ARG 70 Ca 0.15 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.44 2e9i s ARG 70 Cb -0.16 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.68 2e9i s ARG 70 CO 0.11 0.13 0.72 -0.59 0.02 0.00 0.00 175.30 175.68 2e9i s PHE 71 N 0.56 -0.25 -0.66 -0.53 -0.12 -1.21 -3.88 117.98 111.89 2e9i s PHE 71 Ca -0.08 -0.15 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 2e9i s PHE 71 Cb -0.16 0.68 0.17 0.00 -0.63 0.00 0.00 43.02 43.08 2e9i s PHE 71 CO 0.04 -1.13 0.57 0.08 -0.05 0.00 0.00 175.22 174.72 2e9i s VAL 72 N -3.84 4.89 -1.12 -2.49 1.01 -1.26 -1.53 120.40 116.07 2e9i s VAL 72 Ca 0.09 -2.23 -0.23 0.00 0.00 0.00 0.00 61.98 59.62 2e9i s VAL 72 Cb -0.05 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2e9i s VAL 72 CO 0.03 -0.92 1.94 -2.16 0.00 0.00 0.00 175.10 173.99 2e9i s PRO 73 N 0.66 2.51 -0.24 2.72 0.04 -1.26 -4.88 135.00 134.54 2e9i s PRO 73 Ca 0.12 -0.96 0.02 0.00 0.04 0.00 0.00 61.00 60.23 2e9i s PRO 73 Cb -0.19 -5.20 0.05 0.00 0.04 0.00 0.00 34.50 29.19 2e9i s PRO 73 CO -0.04 -3.84 -0.12 -1.14 0.04 0.00 0.00 177.00 171.90 2e9i s GLN 74 N 6.60 2.49 0.34 4.56 0.74 -1.26 -4.48 119.66 128.65 2e9i s GLN 74 Ca 0.69 -1.18 0.04 0.00 0.05 0.00 0.00 55.36 54.95 2e9i s GLN 74 Cb -0.02 -2.83 -0.02 0.00 1.10 0.00 0.00 33.01 31.24 2e9i s GLN 74 CO 0.10 -0.47 0.37 -1.21 -0.55 0.00 0.00 175.29 173.53 2e9i s GLU 75 N 1.17 1.86 0.00 1.67 8.01 -1.26 -5.04 118.70 125.11 2e9i s GLU 75 Ca -0.04 -1.94 0.23 0.00 0.01 0.00 0.00 54.97 53.22 2e9i s GLU 75 Cb -0.18 0.38 0.56 0.00 -4.31 0.00 0.00 34.13 30.58 2e9i s GLU 75 CO -0.07 -0.73 1.48 -1.33 0.01 0.00 0.00 175.26 174.63 2e9i n MET 76 N -0.62 2.64 0.00 1.61 2.81 -1.26 -4.96 117.12 117.35 2e9i n MET 76 Ca 0.05 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.42 2e9i n MET 76 Cb 0.62 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2e9i n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e9i n GLY 77 N 1.58 2.52 3.87 3.03 0.00 -1.26 -5.09 105.19 109.85 2e9i n GLY 77 Ca 0.22 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 2e9i n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9i s VAL 78 N 2.15 5.27 -0.16 1.61 0.11 -1.26 -4.73 120.40 123.39 2e9i s VAL 78 Ca 0.00 0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 59.38 2e9i s VAL 78 Cb 0.00 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2e9i s VAL 78 CO 0.00 0.50 0.09 -1.00 -3.33 0.00 0.00 175.10 171.36 2e9i s HIS 79 N -1.16 3.36 -0.04 1.54 0.09 -1.01 -3.60 115.29 114.47 2e9i s HIS 79 Ca 0.23 0.26 0.01 0.00 -0.00 0.00 0.00 55.06 55.56 2e9i s HIS 79 Cb -0.14 -2.02 0.02 0.00 -0.00 0.00 0.00 32.58 30.45 2e9i s HIS 79 CO 0.12 0.38 -0.03 0.99 -0.00 0.00 0.00 174.74 176.19 2e9i s THR 80 N -0.17 0.40 -0.20 1.30 2.01 -1.22 -1.38 115.64 116.38 2e9i s THR 80 Ca 0.09 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2e9i s THR 80 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2e9i s THR 80 CO 0.01 0.19 0.32 -0.69 -0.69 0.00 0.00 174.62 173.76 2e9i s VAL 81 N 0.88 5.26 -0.57 3.82 1.01 -0.84 -0.17 120.40 129.79 2e9i s VAL 81 Ca -0.11 0.55 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 2e9i s VAL 81 Cb -0.14 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.73 2e9i s VAL 81 CO -0.00 0.31 0.50 -0.55 0.00 0.00 0.00 175.10 175.36 2e9i s SER 82 N 0.87 6.15 -0.39 3.32 0.15 0.62 -1.80 113.70 122.63 2e9i s SER 82 Ca 0.16 -1.96 -0.09 0.00 0.70 0.00 0.00 55.95 54.76 2e9i s SER 82 Cb -0.14 -2.16 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2e9i s SER 82 CO 0.06 -0.78 0.21 -0.69 1.20 0.00 0.00 173.24 173.24 2e9i s VAL 83 N 1.33 4.25 0.21 4.45 1.01 -1.26 -2.68 120.40 127.72 2e9i s VAL 83 Ca 0.06 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.94 2e9i s VAL 83 Cb -0.26 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2e9i s VAL 83 CO 0.01 -0.36 -0.02 -0.54 0.00 0.00 0.00 175.10 174.18 2e9i s LYS 84 N 1.46 2.29 -0.35 2.72 1.02 -1.09 -1.74 119.74 124.04 2e9i s LYS 84 Ca 0.02 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.75 2e9i s LYS 84 Cb -0.21 -2.24 0.11 0.00 -0.52 0.00 0.00 37.83 34.97 2e9i s LYS 84 CO 0.04 0.42 0.14 -0.47 -0.92 0.00 0.00 175.35 174.55 2e9i s TYR 85 N -1.95 2.01 -1.38 3.18 5.04 0.64 -2.27 117.35 122.62 2e9i s TYR 85 Ca 0.28 -2.09 0.00 0.00 -2.44 0.00 0.00 57.07 52.82 2e9i s TYR 85 Cb -0.08 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.33 2e9i s TYR 85 CO 0.18 -0.86 0.00 0.54 -1.34 0.00 0.00 175.55 174.08 2e9i n ARG 86 N 4.37 -1.12 -0.66 4.97 1.74 -1.25 -3.37 116.66 121.33 2e9i n ARG 86 Ca 0.02 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2e9i n ARG 86 Cb 0.40 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 2e9i n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2e9i n GLY 87 N -1.07 0.71 3.58 -0.13 0.00 -1.26 -5.11 105.19 101.91 2e9i n GLY 87 Ca -0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 2e9i n GLY 87 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e9i s GLN 88 N -0.93 0.50 -0.08 1.61 -2.07 -1.22 -5.12 119.66 112.34 2e9i s GLN 88 Ca 0.00 1.25 -0.29 0.00 -1.82 0.00 0.00 55.36 54.50 2e9i s GLN 88 Cb 0.00 0.75 -0.07 0.00 -1.09 0.00 0.00 33.01 32.60 2e9i s GLN 88 CO 0.00 -0.17 2.00 -1.01 -1.32 0.00 0.00 175.29 174.79 2e9i s HIS 89 N 2.77 1.35 0.94 9.60 3.76 -1.26 -0.26 115.29 132.19 2e9i s HIS 89 Ca -0.05 0.01 -0.14 0.00 -0.15 0.00 0.00 55.06 54.73 2e9i s HIS 89 Cb -0.10 -4.10 0.22 0.00 1.11 0.00 0.00 32.58 29.71 2e9i s HIS 89 CO -0.19 -4.73 0.49 1.33 -0.85 0.00 0.00 174.74 170.80 2e9i n VAL 90 N 6.38 0.00 -1.67 -0.90 0.24 -0.71 -4.72 118.33 116.95 2e9i n VAL 90 Ca 0.23 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.15 2e9i n VAL 90 Cb 0.43 -0.56 0.05 0.00 -1.47 0.00 0.00 33.84 32.29 2e9i n VAL 90 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2e9i n THR 91 N -4.56 3.86 -2.76 3.34 -1.04 -1.26 -1.93 114.28 109.92 2e9i n THR 91 Ca 0.08 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.51 2e9i n THR 91 Cb 0.34 -1.36 -0.01 0.00 -1.82 0.00 0.00 70.33 67.48 2e9i n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2e9i n GLY 92 N 1.06 -0.49 3.59 3.41 0.00 -1.26 -4.89 105.19 106.61 2e9i n GLY 92 Ca 0.13 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2e9i n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9i s SER 93 N -2.18 4.65 1.17 1.61 0.15 -0.82 -3.84 113.70 114.45 2e9i s SER 93 Ca 0.11 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 2e9i s SER 93 Cb -0.07 -1.12 0.21 0.00 -1.71 0.00 0.00 66.02 63.34 2e9i s SER 93 CO 0.14 0.31 0.76 -0.81 1.20 0.00 0.00 173.24 174.84 2e9i n PRO 94 N 1.78 -2.51 -4.05 5.44 -0.04 -1.26 -4.76 135.00 129.60 2e9i n PRO 94 Ca -0.16 -1.21 -0.33 0.00 -0.04 0.00 0.00 63.50 61.76 2e9i n PRO 94 Cb 0.53 -1.14 -0.15 0.00 -0.04 0.00 0.00 33.50 32.70 2e9i n PRO 94 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2e9i s PHE 95 N -2.37 3.15 0.09 0.54 0.08 -0.74 -4.96 117.98 113.76 2e9i s PHE 95 Ca 0.49 -2.06 -0.25 0.00 0.12 0.00 0.00 56.93 55.23 2e9i s PHE 95 Cb -0.05 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.38 2e9i s PHE 95 CO 0.38 -0.84 0.76 -1.14 -0.10 0.00 0.00 175.22 174.28 2e9i s GLN 96 N 1.18 4.51 -0.12 0.44 0.74 -1.26 -1.99 119.66 123.15 2e9i s GLN 96 Ca -0.05 1.09 -0.21 0.00 0.05 0.00 0.00 55.36 56.24 2e9i s GLN 96 Cb -0.18 -3.32 0.05 0.00 1.10 0.00 0.00 33.01 30.66 2e9i s GLN 96 CO -0.06 0.40 0.53 -0.59 -0.55 0.00 0.00 175.29 175.01 2e9i s PHE 97 N -0.48 -0.52 -0.12 1.67 -0.71 -0.48 -4.71 117.98 112.62 2e9i s PHE 97 Ca 0.37 1.11 -0.07 0.00 -1.04 0.00 0.00 56.93 57.30 2e9i s PHE 97 Cb -0.21 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2e9i s PHE 97 CO 0.24 -0.39 0.15 0.99 -1.34 0.00 0.00 175.22 174.86 2e9i s THR 98 N -0.45 5.49 -0.04 -4.49 2.01 -1.26 -2.40 115.64 114.49 2e9i s THR 98 Ca -0.06 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2e9i s THR 98 Cb -0.03 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2e9i s THR 98 CO 0.04 0.60 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.83 2e9i s VAL 99 N -0.90 3.78 0.32 3.82 1.01 -1.26 -4.42 120.40 122.74 2e9i s VAL 99 Ca 0.15 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2e9i s VAL 99 Cb -0.12 -2.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 2e9i s VAL 99 CO 0.04 0.52 0.90 -0.83 0.00 0.00 0.00 175.10 175.73 2e9i s GLY 100 N -1.07 2.70 0.28 4.51 0.00 -1.00 -4.92 107.32 107.82 2e9i s GLY 100 Ca 0.15 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.25 2e9i s GLY 100 CO 0.04 0.83 0.25 -1.55 0.00 0.00 0.00 173.10 172.67 2e9i n PRO 101 N 0.39 -1.52 -2.04 2.90 -0.04 -1.26 -3.17 135.00 130.26 2e9i n PRO 101 Ca 0.02 -0.40 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 2e9i n PRO 101 Cb 0.51 -0.38 0.02 0.00 -0.04 0.00 0.00 33.50 33.62 2e9i n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e9i s LEU 102 N 0.00 3.60 0.00 1.53 1.02 -1.26 -4.71 118.68 118.86 2e9i s LEU 102 Ca 0.16 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.44 2e9i s LEU 102 Cb -0.02 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.62 2e9i s LEU 102 CO 0.12 -1.42 0.00 0.61 0.02 0.00 0.00 176.35 175.69 2e9i n GLY 103 N -0.06 0.87 3.77 -3.19 0.00 -1.26 -4.94 105.19 100.37 2e9i n GLY 103 Ca 0.11 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 2e9i n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9i s GLU 104 N 0.00 4.10 0.00 1.61 2.56 -1.26 -4.99 118.70 120.72 2e9i s GLU 104 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2e9i s GLU 104 Cb 0.00 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.36 2e9i s GLU 104 CO 0.00 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 2e9i n GLY 105 N 0.70 1.86 0.00 -1.50 0.00 -1.26 -4.70 105.19 100.28 2e9i n GLY 105 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93