#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 0.68 -3.93 1.61 3.41 -1.26 -5.02 113.62 109.11 2e9i n SER 2 Ca 0.00 -0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 57.96 2e9i n SER 2 Cb 0.00 0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 2e9i n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2e9i n SER 3 N -0.96 -0.15 -4.16 4.04 2.88 -1.26 -4.91 113.62 109.11 2e9i n SER 3 Ca 0.00 -1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 56.40 2e9i n SER 3 Cb 0.00 -1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 62.12 2e9i n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e9i s GLY 4 N -4.03 0.80 0.21 0.46 0.00 -1.26 -5.16 107.32 98.34 2e9i s GLY 4 Ca 0.09 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 2e9i s GLY 4 CO 0.77 -1.21 1.01 -0.56 0.00 0.00 0.00 173.10 173.11 2e9i s SER 5 N -2.36 0.00 0.32 1.64 0.01 -1.26 -5.19 113.70 106.86 2e9i s SER 5 Ca 0.04 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.62 2e9i s SER 5 Cb -0.03 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2e9i s SER 5 CO -0.00 -1.07 0.19 -0.55 0.41 0.00 0.00 173.24 172.22 2e9i s SER 6 N -3.37 1.67 -0.22 2.44 0.15 -1.26 -5.14 113.70 107.98 2e9i s SER 6 Ca 0.21 -1.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.11 2e9i s SER 6 Cb -0.03 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2e9i s SER 6 CO 0.06 -0.95 0.22 -0.83 1.20 0.00 0.00 173.24 172.94 2e9i s GLY 7 N -3.39 2.04 -0.20 9.45 0.00 -1.26 -5.05 107.32 108.90 2e9i s GLY 7 Ca 0.36 -0.74 -0.33 0.00 0.00 0.00 0.00 44.72 44.01 2e9i s GLY 7 CO 0.20 0.44 1.20 1.09 0.00 0.00 0.00 173.10 176.03 2e9i s ARG 8 N 0.93 0.31 -0.32 2.90 3.03 -1.26 -5.14 118.95 119.40 2e9i s ARG 8 Ca 0.11 -0.05 -0.10 0.00 2.03 0.00 0.00 55.73 57.72 2e9i s ARG 8 Cb -0.13 0.14 -0.00 0.00 -1.03 0.00 0.00 34.95 33.93 2e9i s ARG 8 CO 0.04 -0.12 0.16 0.14 -1.13 0.00 0.00 175.30 174.39 2e9i s VAL 9 N -1.93 4.58 -0.16 4.99 -7.23 -1.26 -5.06 120.40 114.34 2e9i s VAL 9 Ca 0.07 -0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 2e9i s VAL 9 Cb -0.01 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.62 2e9i s VAL 9 CO -0.05 0.02 0.37 -0.75 -0.31 0.00 0.00 175.10 174.39 2e9i s LYS 10 N 1.60 0.33 0.74 4.82 2.47 -1.26 -5.15 119.74 123.28 2e9i s LYS 10 Ca 0.04 0.79 -0.14 0.00 -1.56 0.00 0.00 55.97 55.10 2e9i s LYS 10 Cb -0.17 0.03 0.04 0.00 -1.46 0.00 0.00 37.83 36.27 2e9i s LYS 10 CO 0.06 -0.19 1.18 -1.21 0.16 0.00 0.00 175.35 175.35 2e9i s GLU 11 N 1.69 2.15 0.07 4.03 2.02 -1.26 -5.05 118.70 122.35 2e9i s GLU 11 Ca -0.07 1.64 -0.13 0.00 0.02 0.00 0.00 54.97 56.44 2e9i s GLU 11 Cb -0.10 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.30 2e9i s GLU 11 CO -0.12 -1.80 0.29 -1.12 0.02 0.00 0.00 175.26 172.53 2e9i s SER 12 N -2.26 -0.07 1.17 -0.19 0.01 -1.26 -5.16 113.70 105.94 2e9i s SER 12 Ca 0.72 -0.34 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 2e9i s SER 12 Cb -0.26 0.37 0.20 0.00 0.21 0.00 0.00 66.02 66.54 2e9i s SER 12 CO 0.46 -0.68 0.42 2.30 0.41 0.00 0.00 173.24 176.15 2e9i n ILE 13 N 0.27 0.00 -3.68 1.44 -6.64 -1.26 -5.05 119.36 104.44 2e9i n ILE 13 Ca -0.17 -0.34 -0.10 0.00 -1.77 0.00 0.00 62.75 60.36 2e9i n ILE 13 Cb 0.61 -0.76 -0.11 0.00 -1.44 0.00 0.00 39.64 37.94 2e9i n ILE 13 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2e9i s THR 14 N -2.27 -0.24 0.71 7.28 -1.32 -1.26 -5.16 115.64 113.39 2e9i s THR 14 Ca 0.60 0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 61.11 2e9i s THR 14 Cb -0.16 -0.59 0.02 0.00 -1.51 0.00 0.00 72.50 70.26 2e9i s THR 14 CO 0.64 0.06 1.08 0.00 -2.21 0.00 0.00 174.62 174.18 2e9i s ARG 15 N 1.82 2.79 -0.11 7.08 1.04 -1.26 -5.08 118.95 125.22 2e9i s ARG 15 Ca -0.06 0.63 -0.31 0.00 -1.04 0.00 0.00 55.73 54.95 2e9i s ARG 15 Cb -0.10 -2.00 0.12 0.00 -2.04 0.00 0.00 34.95 30.93 2e9i s ARG 15 CO -0.12 -1.12 1.01 -0.08 -0.04 0.00 0.00 175.30 174.95 2e9i s THR 16 N -3.23 0.00 -0.09 4.99 -1.32 -1.26 -4.46 115.64 110.27 2e9i s THR 16 Ca 0.58 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.03 2e9i s THR 16 Cb -0.12 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.92 2e9i s THR 16 CO 0.53 0.00 0.15 -0.55 -2.21 0.00 0.00 174.62 172.54 2e9i s SER 17 N -1.87 0.91 0.72 8.08 0.15 -1.26 -5.08 113.70 115.35 2e9i s SER 17 Ca 0.04 0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.78 2e9i s SER 17 Cb -0.01 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 2e9i s SER 17 CO -0.04 -0.26 1.11 -0.13 1.20 0.00 0.00 173.24 175.13 2e9i s ARG 18 N 2.27 2.44 -0.04 5.44 3.00 -1.26 -5.01 118.95 125.80 2e9i s ARG 18 Ca 0.04 1.36 0.02 0.00 0.00 0.00 0.00 55.73 57.15 2e9i s ARG 18 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.89 2e9i s ARG 18 CO -0.06 -1.52 -0.09 0.00 0.00 0.00 0.00 175.30 173.63 2e9i s ALA 19 N -2.52 2.91 -0.73 2.13 0.00 -1.26 -5.06 121.76 117.24 2e9i s ALA 19 Ca 0.66 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 2e9i s ALA 19 Cb -0.20 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2e9i s ALA 19 CO 0.48 0.58 1.90 -1.25 0.00 0.00 0.00 175.76 177.47 2e9i s PRO 20 N -1.02 2.59 0.08 0.00 0.04 -1.26 -4.91 135.00 130.53 2e9i s PRO 20 Ca 0.14 0.26 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 2e9i s PRO 20 Cb -0.11 -4.65 0.05 0.00 0.04 0.00 0.00 34.50 29.83 2e9i s PRO 20 CO 0.03 -2.99 0.53 0.45 0.04 0.00 0.00 177.00 175.06 2e9i s SER 21 N 8.09 -0.45 0.34 6.66 0.15 -1.26 -5.18 113.70 122.06 2e9i s SER 21 Ca 0.68 0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.44 2e9i s SER 21 Cb -0.10 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 2e9i s SER 21 CO 0.12 -0.80 0.50 0.68 1.20 0.00 0.00 173.24 174.94 2e9i s VAL 22 N -2.95 4.60 0.00 4.45 -7.23 -1.26 -5.01 120.40 113.01 2e9i s VAL 22 Ca -0.03 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2e9i s VAL 22 Cb -0.00 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 2e9i s VAL 22 CO -0.06 -0.33 -0.03 0.00 -0.31 0.00 0.00 175.10 174.37 2e9i s ALA 23 N -2.24 0.19 0.10 1.32 0.00 -1.26 -5.11 121.76 114.76 2e9i s ALA 23 Ca 0.42 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.26 2e9i s ALA 23 Cb -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2e9i s ALA 23 CO 0.33 0.02 -0.10 0.99 0.00 0.00 0.00 175.76 177.00 2e9i s THR 24 N -0.29 3.35 -0.13 0.00 2.01 -1.26 -2.88 115.64 116.44 2e9i s THR 24 Ca -0.02 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 60.70 2e9i s THR 24 Cb -0.02 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2e9i s THR 24 CO -0.00 0.13 -0.03 0.54 -0.69 0.00 0.00 174.62 174.57 2e9i s VAL 25 N -1.20 4.00 0.00 3.82 0.11 -1.25 -4.56 120.40 121.32 2e9i s VAL 25 Ca 0.21 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2e9i s VAL 25 Cb -0.11 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2e9i s VAL 25 CO 0.13 0.53 0.00 0.61 -3.33 0.00 0.00 175.10 173.04 2e9i n GLY 26 N 3.05 0.90 3.50 6.54 0.00 -1.26 -4.91 105.19 113.02 2e9i n GLY 26 Ca -0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.93 -0.59 -0.64 1.61 0.15 -1.26 -5.10 113.70 104.95 2e9i s SER 27 Ca 0.00 0.48 -0.27 0.00 0.70 0.00 0.00 55.95 56.86 2e9i s SER 27 Cb 0.00 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2e9i s SER 27 CO 0.00 -0.66 1.66 -0.63 1.20 0.00 0.00 173.24 174.81 2e9i s ILE 28 N -1.86 3.50 0.02 6.45 1.01 -1.26 -4.31 121.20 124.76 2e9i s ILE 28 Ca -0.06 0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 2e9i s ILE 28 Cb -0.00 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 2e9i s ILE 28 CO 0.03 -1.19 0.49 0.00 0.00 0.00 0.00 174.94 174.27 2e9i s ASP 30 N -0.91 6.41 -0.42 0.00 1.01 -1.26 -2.99 116.67 118.52 2e9i s ASP 30 Ca 0.27 0.48 -0.04 0.00 0.71 0.00 0.00 52.55 53.97 2e9i s ASP 30 Cb -0.18 -2.20 0.11 0.00 1.01 0.00 0.00 42.92 41.66 2e9i s ASP 30 CO 0.16 0.01 0.23 -0.22 0.21 0.00 0.00 175.17 175.55 2e9i s LEU 31 N 0.93 5.31 -0.48 1.23 2.96 0.61 -4.97 118.68 124.27 2e9i s LEU 31 Ca 0.17 -1.99 -0.27 0.00 -0.22 0.00 0.00 54.13 51.83 2e9i s LEU 31 Cb -0.14 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.72 2e9i s LEU 31 CO 0.06 -0.57 1.02 0.21 -1.32 0.00 0.00 176.35 175.75 2e9i s ASN 32 N 1.97 6.53 -0.12 3.68 3.84 -1.26 -2.36 114.94 127.22 2e9i s ASN 32 Ca 0.07 0.20 0.02 0.00 0.21 0.00 0.00 52.86 53.36 2e9i s ASN 32 Cb -0.23 -2.49 -0.01 0.00 -0.55 0.00 0.00 41.25 37.97 2e9i s ASN 32 CO -0.03 -1.16 -0.18 -0.76 -2.79 0.00 0.00 177.10 172.17 2e9i s LEU 33 N 4.09 2.44 -1.03 3.21 1.43 -1.19 -5.06 118.68 122.57 2e9i s LEU 33 Ca 0.41 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 2e9i s LEU 33 Cb -0.09 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.65 2e9i s LEU 33 CO 0.28 0.16 1.49 -0.75 0.23 0.00 0.00 176.35 177.76 2e9i s LYS 34 N 0.35 3.56 -0.08 1.70 2.47 -1.26 -3.88 119.74 122.60 2e9i s LYS 34 Ca -0.15 -1.13 -0.00 0.00 -1.56 0.00 0.00 55.97 53.14 2e9i s LYS 34 Cb -0.17 -5.35 -0.03 0.00 -1.46 0.00 0.00 37.83 30.82 2e9i s LYS 34 CO 0.07 -2.27 -0.05 0.42 0.16 0.00 0.00 175.35 173.68 2e9i s ILE 35 N 5.20 3.85 0.00 5.43 1.01 -1.25 -5.09 121.20 130.36 2e9i s ILE 35 Ca 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2e9i s ILE 35 Cb -0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2e9i s ILE 35 CO -0.09 0.59 0.00 -0.81 0.00 0.00 0.00 174.94 174.63 2e9i n PRO 36 N 2.38 -0.32 -0.24 2.79 -0.04 -1.26 -4.01 135.00 134.30 2e9i n PRO 36 Ca -0.18 0.00 0.31 0.00 -0.04 0.00 0.00 63.50 63.59 2e9i n PRO 36 Cb 0.53 0.00 0.61 0.00 -0.04 0.00 0.00 33.50 34.60 2e9i n PRO 36 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2e9i h GLU 37 N 0.00 0.00 -4.24 0.54 3.07 -1.98 -3.42 114.58 108.55 2e9i h GLU 37 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 2e9i h GLU 37 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2e9i h GLU 37 CO 0.00 0.00 0.88 -0.89 -1.40 0.00 0.00 179.01 177.60 2e9i n ILE 38 N -3.58 0.00 -1.21 3.13 5.41 -1.26 -4.85 119.36 117.00 2e9i n ILE 38 Ca 0.23 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.68 2e9i n ILE 38 Cb 1.37 -0.35 0.12 0.00 -0.71 0.00 0.00 39.64 40.07 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 3.99 3.77 0.03 4.38 -0.87 -1.26 -4.98 114.94 119.99 2e9i s ASN 39 Ca 0.84 1.61 -0.17 0.00 -1.57 0.00 0.00 52.86 53.56 2e9i s ASN 39 Cb -1.06 -2.29 -0.26 0.00 -0.02 0.00 0.00 41.25 37.62 2e9i s ASN 39 CO 0.48 -2.47 1.09 0.77 -2.57 0.00 0.00 177.10 174.40 2e9i h SER 40 N -1.43 0.71 -1.17 -1.22 4.64 -1.91 -3.21 113.55 109.96 2e9i h SER 40 Ca -0.48 -0.80 0.44 0.00 -0.47 0.00 0.00 61.79 60.49 2e9i h SER 40 Cb 1.27 -0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.98 2e9i h SER 40 CO 0.53 1.42 0.70 -1.20 -0.87 0.00 0.00 176.83 177.42 2e9i n SER 41 N -4.01 0.27 0.14 4.97 7.64 -1.26 0.14 113.62 121.51 2e9i n SER 41 Ca -0.12 1.48 -0.25 0.00 1.01 0.00 0.00 58.87 60.99 2e9i n SER 41 Cb 0.82 -0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 2e9i n SER 41 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2e9i h ASP 42 N 0.00 0.82 -4.16 6.43 3.04 -1.96 -3.46 116.42 117.12 2e9i h ASP 42 Ca 0.84 -0.92 -0.48 0.00 -3.24 0.00 0.00 57.03 53.23 2e9i h ASP 42 Cb 2.49 -0.27 0.13 0.00 -1.04 0.00 0.00 39.33 40.65 2e9i h ASP 42 CO -0.60 1.71 0.28 -0.04 -2.04 0.00 0.00 179.24 178.56 2e9i s MET 43 N -2.59 1.58 -0.17 4.15 -1.94 0.38 -2.98 119.30 117.73 2e9i s MET 43 Ca -0.10 0.75 -0.06 0.00 -1.71 0.00 0.00 55.69 54.57 2e9i s MET 43 Cb 0.04 -1.85 0.08 0.00 2.01 0.00 0.00 34.83 35.11 2e9i s MET 43 CO 0.94 -2.00 0.35 -1.12 -0.01 0.00 0.00 175.02 173.18 2e9i s SER 44 N -3.61 -0.02 -0.16 3.03 0.01 -0.95 -4.91 113.70 107.08 2e9i s SER 44 Ca 0.62 0.81 -0.05 0.00 1.31 0.00 0.00 55.95 58.65 2e9i s SER 44 Cb -0.17 1.03 -0.03 0.00 0.21 0.00 0.00 66.02 67.06 2e9i s SER 44 CO 0.56 -0.23 0.01 0.00 0.41 0.00 0.00 173.24 173.98 2e9i s ALA 45 N 2.43 3.19 -0.22 1.44 0.00 -1.26 -3.09 121.76 124.25 2e9i s ALA 45 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 2e9i s ALA 45 Cb -0.12 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 21.38 2e9i s ALA 45 CO -0.11 0.22 0.51 -1.01 0.00 0.00 0.00 175.76 175.38 2e9i s HIS 46 N 0.29 -0.88 -0.47 0.00 3.76 -0.96 -2.00 115.29 115.02 2e9i s HIS 46 Ca -0.00 1.71 -0.25 0.00 -0.15 0.00 0.00 55.06 56.37 2e9i s HIS 46 Cb -0.13 0.45 0.03 0.00 1.11 0.00 0.00 32.58 34.04 2e9i s HIS 46 CO 0.02 -0.48 0.91 0.08 -0.85 0.00 0.00 174.74 174.42 2e9i s VAL 47 N 2.03 4.48 0.34 -0.90 1.01 -0.63 0.10 120.40 126.82 2e9i s VAL 47 Ca -0.07 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 2e9i s VAL 47 Cb -0.09 -4.44 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 2e9i s VAL 47 CO -0.15 -0.87 0.96 -0.89 0.00 0.00 0.00 175.10 174.14 2e9i s THR 48 N 3.74 4.18 0.11 3.92 2.01 0.39 -1.06 115.64 128.91 2e9i s THR 48 Ca 0.35 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 64.09 2e9i s THR 48 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2e9i s THR 48 CO 0.25 0.08 0.27 -0.44 -0.69 0.00 0.00 174.62 174.09 2e9i s SER 49 N -1.66 6.38 0.00 3.53 0.01 0.24 -3.45 113.70 118.75 2e9i s SER 49 Ca 0.52 0.30 0.12 0.00 1.31 0.00 0.00 55.95 58.20 2e9i s SER 49 Cb -0.18 -1.97 0.69 0.00 0.21 0.00 0.00 66.02 64.77 2e9i s SER 49 CO 0.23 0.10 1.12 -0.81 0.41 0.00 0.00 173.24 174.29 2e9i n PRO 50 N -0.05 0.49 -0.04 12.44 -0.04 -1.25 -2.47 135.00 144.08 2e9i n PRO 50 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2e9i n PRO 50 Cb 0.52 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.87 3.11 0.00 3.54 3.41 -1.26 -4.99 113.62 116.56 2e9i n SER 51 Ca 0.09 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2e9i n SER 51 Cb 0.04 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 2.61 0.93 3.77 5.00 0.00 -1.03 -5.14 105.19 111.33 2e9i n GLY 52 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 3.62 -0.02 1.61 3.00 -1.26 -4.73 118.95 121.17 2e9i s ARG 53 Ca 0.00 1.74 0.04 0.00 0.00 0.00 0.00 55.73 57.50 2e9i s ARG 53 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 34.95 32.66 2e9i s ARG 53 CO 0.00 -0.66 -0.13 0.08 0.00 0.00 0.00 175.30 174.59 2e9i s VAL 54 N -1.61 1.08 0.24 3.52 1.01 -1.26 0.81 120.40 124.19 2e9i s VAL 54 Ca 0.67 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 62.17 2e9i s VAL 54 Cb -0.27 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2e9i s VAL 54 CO 0.33 0.31 -0.00 -0.89 0.00 0.00 0.00 175.10 174.85 2e9i s THR 55 N -0.16 3.54 -0.08 3.92 2.01 -0.23 -4.96 115.64 119.68 2e9i s THR 55 Ca 0.02 -1.75 -0.05 0.00 0.31 0.00 0.00 61.69 60.22 2e9i s THR 55 Cb -0.07 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2e9i s THR 55 CO 0.00 -0.29 0.13 -0.70 -0.69 0.00 0.00 174.62 173.07 2e9i s GLU 56 N -3.45 3.36 0.15 4.92 2.12 -1.26 -1.61 118.70 122.93 2e9i s GLU 56 Ca 0.30 -0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.48 2e9i s GLU 56 Cb -0.07 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2e9i s GLU 56 CO 0.19 0.73 -0.21 0.00 -0.54 0.00 0.00 175.26 175.44 2e9i s ALA 57 N -1.11 2.10 0.03 6.30 0.00 -0.85 -4.87 121.76 123.37 2e9i s ALA 57 Ca 0.19 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2e9i s ALA 57 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2e9i s ALA 57 CO 0.08 0.34 0.10 -2.00 0.00 0.00 0.00 175.76 174.28 2e9i s GLU 58 N -2.47 3.07 -0.32 0.00 2.12 -1.25 -4.57 118.70 115.27 2e9i s GLU 58 Ca 0.14 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 2e9i s GLU 58 Cb -0.08 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.51 2e9i s GLU 58 CO 0.07 0.62 0.06 0.42 -0.54 0.00 0.00 175.26 175.88 2e9i s ILE 59 N -1.30 3.30 -0.15 -3.70 1.01 -1.26 -2.83 121.20 116.26 2e9i s ILE 59 Ca 0.27 -1.36 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 2e9i s ILE 59 Cb -0.12 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2e9i s ILE 59 CO 0.19 -0.19 0.71 -0.69 0.00 0.00 0.00 174.94 174.96 2e9i s VAL 60 N 1.30 4.98 -0.18 2.92 1.01 0.51 -4.91 120.40 126.04 2e9i s VAL 60 Ca -0.03 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 2e9i s VAL 60 Cb -0.20 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2e9i s VAL 60 CO 0.00 0.13 1.58 -2.16 0.00 0.00 0.00 175.10 174.65 2e9i s PRO 61 N 1.65 3.93 -0.15 2.72 0.04 -1.26 -1.15 135.00 140.78 2e9i s PRO 61 Ca 0.34 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 2e9i s PRO 61 Cb -0.17 -3.99 -0.12 0.00 0.04 0.00 0.00 34.50 30.26 2e9i s PRO 61 CO 0.13 -1.12 0.18 0.52 0.04 0.00 0.00 177.00 176.75 2e9i h MET 62 N 10.15 0.00 0.00 4.56 2.86 -1.69 -3.48 114.93 127.33 2e9i h MET 62 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2e9i h MET 62 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2e9i h MET 62 CO 0.99 0.51 0.00 0.41 1.06 0.00 0.00 176.91 179.88 2e9i n GLY 63 N 1.60 -0.31 3.51 8.32 0.00 -1.14 -4.96 105.19 112.21 2e9i n GLY 63 Ca -0.13 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 2e9i n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2e9i n LYS 64 N 0.00 0.14 -4.11 1.61 4.81 -1.26 -1.74 118.16 117.61 2e9i n LYS 64 Ca 0.00 -0.11 -0.31 0.00 -0.87 0.00 0.00 58.31 57.03 2e9i n LYS 64 Cb 0.00 -1.63 -0.08 0.00 0.02 0.00 0.00 35.03 33.34 2e9i n LYS 64 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2e9i n ASN 65 N 9.23 -0.11 -4.15 3.14 6.94 -1.26 -4.90 115.26 124.15 2e9i n ASN 65 Ca 0.63 -1.10 -0.25 0.00 -0.02 0.00 0.00 54.58 53.84 2e9i n ASN 65 Cb 0.17 -1.38 -0.16 0.00 -2.36 0.00 0.00 39.78 36.05 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2e9i s SER 66 N -3.72 2.04 0.00 0.53 0.01 -0.71 -3.82 113.70 108.04 2e9i s SER 66 Ca 0.28 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.23 2e9i s SER 66 Cb -0.16 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 2e9i s SER 66 CO 0.88 0.19 -0.03 -1.00 0.41 0.00 0.00 173.24 173.70 2e9i s HIS 67 N -0.27 0.23 -0.16 2.43 3.76 -1.25 -1.74 115.29 118.29 2e9i s HIS 67 Ca 0.04 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2e9i s HIS 67 Cb -0.08 -0.15 0.03 0.00 1.11 0.00 0.00 32.58 33.50 2e9i s HIS 67 CO 0.00 -0.03 -0.09 0.00 -0.85 0.00 0.00 174.74 173.77 2e9i s VAL 69 N 1.55 5.37 -0.13 0.00 1.01 -0.99 -0.36 120.40 126.84 2e9i s VAL 69 Ca 0.02 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2e9i s VAL 69 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2e9i s VAL 69 CO -0.09 0.40 -0.18 -0.13 0.00 0.00 0.00 175.10 175.10 2e9i s ARG 70 N 0.57 2.63 0.23 2.72 0.52 -1.13 -0.28 118.95 124.21 2e9i s ARG 70 Ca 0.10 -0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 54.44 2e9i s ARG 70 Cb -0.12 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.16 2e9i s ARG 70 CO 0.01 -0.07 0.55 -0.59 0.02 0.00 0.00 175.30 175.22 2e9i s PHE 71 N 1.00 0.05 -0.66 -0.53 -0.12 -1.16 -3.86 117.98 112.69 2e9i s PHE 71 Ca -0.04 -0.43 -0.11 0.00 -0.05 0.00 0.00 56.93 56.29 2e9i s PHE 71 Cb -0.15 0.39 0.17 0.00 -0.63 0.00 0.00 43.02 42.80 2e9i s PHE 71 CO -0.04 -1.02 0.57 0.08 -0.05 0.00 0.00 175.22 174.76 2e9i s VAL 72 N -3.94 4.87 -1.13 -2.49 1.01 -1.26 -1.86 120.40 115.61 2e9i s VAL 72 Ca 0.15 -2.25 -0.23 0.00 0.00 0.00 0.00 61.98 59.64 2e9i s VAL 72 Cb -0.02 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2e9i s VAL 72 CO 0.04 -0.92 1.94 -2.16 0.00 0.00 0.00 175.10 174.00 2e9i s PRO 73 N 0.62 2.50 -0.25 2.72 0.04 -1.26 -4.89 135.00 134.48 2e9i s PRO 73 Ca 0.13 -0.99 0.01 0.00 0.04 0.00 0.00 61.00 60.18 2e9i s PRO 73 Cb -0.19 -5.21 0.04 0.00 0.04 0.00 0.00 34.50 29.19 2e9i s PRO 73 CO -0.04 -3.87 -0.09 -1.14 0.04 0.00 0.00 177.00 171.90 2e9i s GLN 74 N 6.59 2.56 0.32 4.56 0.74 -1.26 -4.28 119.66 128.89 2e9i s GLN 74 Ca 0.69 -1.15 0.04 0.00 0.05 0.00 0.00 55.36 55.00 2e9i s GLN 74 Cb -0.02 -2.91 -0.02 0.00 1.10 0.00 0.00 33.01 31.16 2e9i s GLN 74 CO 0.10 -0.47 0.33 0.39 -0.55 0.00 0.00 175.29 175.10 2e9i n GLU 75 N 4.56 0.48 -0.23 1.67 4.71 -1.26 -5.05 120.64 125.52 2e9i n GLU 75 Ca -0.16 -3.01 0.10 0.00 -0.01 0.00 0.00 57.16 54.08 2e9i n GLU 75 Cb 0.45 2.60 0.23 0.00 -1.01 0.00 0.00 31.44 33.70 2e9i n GLU 75 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2e9i n MET 76 N -0.59 2.50 0.00 3.49 2.81 -1.26 -4.99 117.12 119.09 2e9i n MET 76 Ca 0.05 -2.30 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 2e9i n MET 76 Cb 0.57 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 1.34 2.65 3.76 3.03 0.00 -1.26 -5.06 105.19 109.65 2e9i n GLY 77 Ca 0.19 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 1.35 3.81 -0.16 1.61 0.11 -1.26 -4.74 120.40 121.12 2e9i s VAL 78 Ca 0.00 1.71 -0.05 0.00 -2.93 0.00 0.00 61.98 60.71 2e9i s VAL 78 Cb 0.00 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 2e9i s VAL 78 CO 0.00 0.33 0.02 -1.00 -3.33 0.00 0.00 175.10 171.12 2e9i s HIS 79 N -1.30 3.18 -0.02 1.54 0.09 -1.12 -3.82 115.29 113.85 2e9i s HIS 79 Ca 0.46 -0.00 0.02 0.00 -0.00 0.00 0.00 55.06 55.54 2e9i s HIS 79 Cb -0.27 -1.99 0.00 0.00 -0.00 0.00 0.00 32.58 30.33 2e9i s HIS 79 CO 0.34 0.17 -0.07 0.99 -0.00 0.00 0.00 174.74 176.17 2e9i s THR 80 N 0.10 0.61 -0.35 1.30 2.01 -1.22 -1.10 115.64 116.98 2e9i s THR 80 Ca 0.03 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2e9i s THR 80 Cb -0.13 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2e9i s THR 80 CO 0.01 0.19 0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 2e9i s VAL 81 N 0.09 4.23 -0.54 3.82 1.01 -0.68 -0.47 120.40 127.86 2e9i s VAL 81 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 2e9i s VAL 81 Cb -0.06 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2e9i s VAL 81 CO -0.00 -0.18 1.14 -0.44 0.00 0.00 0.00 175.10 175.62 2e9i s SER 82 N 1.49 6.49 -0.27 3.32 0.01 0.11 -2.02 113.70 122.84 2e9i s SER 82 Ca 0.01 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.46 2e9i s SER 82 Cb -0.19 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.57 2e9i s SER 82 CO 0.05 -1.37 -0.09 -0.69 0.41 0.00 0.00 173.24 171.55 2e9i s VAL 83 N 4.65 2.25 0.19 3.43 1.01 -1.26 -2.27 120.40 128.41 2e9i s VAL 83 Ca 0.43 -1.67 0.11 0.00 0.00 0.00 0.00 61.98 60.85 2e9i s VAL 83 Cb -0.08 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2e9i s VAL 83 CO 0.27 -0.08 -0.23 -0.54 0.00 0.00 0.00 175.10 174.52 2e9i s LYS 84 N 1.10 1.56 -0.40 2.72 1.02 -1.18 -1.81 119.74 122.74 2e9i s LYS 84 Ca -0.07 -1.50 0.04 0.00 0.02 0.00 0.00 55.97 54.45 2e9i s LYS 84 Cb -0.20 -1.87 0.11 0.00 -0.52 0.00 0.00 37.83 35.35 2e9i s LYS 84 CO -0.05 0.40 0.13 -0.47 -0.92 0.00 0.00 175.35 174.45 2e9i s TYR 85 N -1.67 3.31 -1.43 3.18 5.04 0.58 -2.24 117.35 124.13 2e9i s TYR 85 Ca 0.21 -2.94 0.00 0.00 -2.44 0.00 0.00 57.07 51.90 2e9i s TYR 85 Cb -0.08 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.49 2e9i s TYR 85 CO 0.10 -0.86 0.00 0.54 -1.34 0.00 0.00 175.55 173.99 2e9i n ARG 86 N 3.87 -1.20 -0.38 4.97 1.74 -1.16 -2.78 116.66 121.72 2e9i n ARG 86 Ca 0.04 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 2e9i n ARG 86 Cb 0.38 -5.15 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 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 -1.03 1.62 2.79 -0.13 0.00 -1.26 -5.08 105.19 102.09 2e9i n GLY 87 Ca -0.18 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 2e9i n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e9i s GLN 88 N -1.50 0.25 0.23 1.61 -1.52 -1.12 -5.12 119.66 112.49 2e9i s GLN 88 Ca 0.00 0.20 -0.31 0.00 -1.95 0.00 0.00 55.36 53.30 2e9i s GLN 88 Cb 0.00 -0.93 -0.15 0.00 -0.22 0.00 0.00 33.01 31.71 2e9i s GLN 88 CO 0.00 -0.73 1.19 0.72 -0.25 0.00 0.00 175.29 176.22 2e9i n HIS 89 N 5.33 1.54 -1.20 0.91 8.25 -1.26 -0.30 115.22 128.48 2e9i n HIS 89 Ca -0.04 0.62 -0.17 0.00 -0.26 0.00 0.00 57.72 57.87 2e9i n HIS 89 Cb 0.49 -2.32 0.13 0.00 1.12 0.00 0.00 29.99 29.41 2e9i n HIS 89 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2e9i n VAL 90 N 1.23 0.00 -1.72 1.59 0.24 -0.75 -4.83 118.33 114.10 2e9i n VAL 90 Ca 0.12 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 2e9i n VAL 90 Cb 0.29 -1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.17 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 -3.40 0.08 -3.01 3.34 -1.04 -1.26 -1.85 114.28 107.14 2e9i n THR 91 Ca 0.09 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 2e9i n THR 91 Cb 0.33 -1.95 0.02 0.00 -1.82 0.00 0.00 70.33 66.92 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 3.78 -0.51 3.51 3.41 0.00 -1.26 -4.95 105.19 109.16 2e9i n GLY 92 Ca 0.16 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.62 4.16 0.73 1.61 0.15 -0.77 -3.15 113.70 113.80 2e9i s SER 93 Ca 0.28 -0.20 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2e9i s SER 93 Cb -0.13 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2e9i s SER 93 CO 0.35 0.32 1.10 -2.16 1.20 0.00 0.00 173.24 174.05 2e9i s PRO 94 N -0.98 2.47 -0.43 5.44 0.04 -1.26 -4.74 135.00 135.54 2e9i s PRO 94 Ca 0.13 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2e9i s PRO 94 Cb -0.11 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2e9i s PRO 94 CO 0.03 -1.49 0.59 -0.06 0.04 0.00 0.00 177.00 176.11 2e9i s PHE 95 N -2.68 3.09 0.02 0.56 0.08 -0.86 -4.89 117.98 113.30 2e9i s PHE 95 Ca 0.63 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 57.35 2e9i s PHE 95 Cb -0.18 -3.23 -0.06 0.00 -0.57 0.00 0.00 43.02 38.98 2e9i s PHE 95 CO 0.50 -0.83 0.58 -1.14 -0.10 0.00 0.00 175.22 174.24 2e9i s GLN 96 N 2.65 4.28 -0.21 0.44 0.74 -1.26 -1.69 119.66 124.61 2e9i s GLN 96 Ca 0.20 0.73 -0.19 0.00 0.05 0.00 0.00 55.36 56.15 2e9i s GLN 96 Cb -0.15 -3.31 0.05 0.00 1.10 0.00 0.00 33.01 30.70 2e9i s GLN 96 CO 0.18 0.44 0.55 -0.59 -0.55 0.00 0.00 175.29 175.32 2e9i s PHE 97 N -0.44 -0.61 0.16 1.67 -0.12 -0.26 -4.95 117.98 113.44 2e9i s PHE 97 Ca 0.30 1.48 -0.17 0.00 -0.05 0.00 0.00 56.93 58.49 2e9i s PHE 97 Cb -0.18 0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 2e9i s PHE 97 CO 0.17 -0.29 0.62 0.99 -0.05 0.00 0.00 175.22 176.66 2e9i s THR 98 N 0.32 4.72 0.07 -4.49 2.01 -1.26 -2.78 115.64 114.24 2e9i s THR 98 Ca -0.00 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.15 2e9i s THR 98 Cb -0.04 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2e9i s THR 98 CO 0.00 0.29 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.36 2e9i s VAL 99 N -1.42 2.87 0.05 3.82 1.01 -1.26 -4.37 120.40 121.10 2e9i s VAL 99 Ca 0.38 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2e9i s VAL 99 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2e9i s VAL 99 CO 0.20 0.24 -0.17 -0.83 0.00 0.00 0.00 175.10 174.54 2e9i s GLY 100 N -1.73 0.95 1.09 4.51 0.00 -1.14 -4.98 107.32 106.01 2e9i s GLY 100 Ca 0.16 -0.96 -0.15 0.00 0.00 0.00 0.00 44.72 43.78 2e9i s GLY 100 CO 0.08 -0.92 1.10 2.56 0.00 0.00 0.00 173.10 175.91 2e9i s PRO 101 N -1.27 -0.29 -0.31 2.90 0.04 -1.26 -3.89 135.00 130.93 2e9i s PRO 101 Ca 0.04 0.27 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 2e9i s PRO 101 Cb -0.09 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2e9i s PRO 101 CO 0.02 -3.16 0.24 -1.17 0.04 0.00 0.00 177.00 172.97 2e9i s LEU 102 N -6.67 4.29 0.57 -3.56 2.96 -1.26 -4.98 118.68 110.02 2e9i s LEU 102 Ca 0.68 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.47 2e9i s LEU 102 Cb -0.15 -2.17 0.08 0.00 0.50 0.00 0.00 46.19 44.45 2e9i s LEU 102 CO 0.57 -0.17 0.78 -0.83 -1.32 0.00 0.00 176.35 175.38 2e9i s GLY 103 N 1.73 1.77 -0.32 7.98 0.00 -1.26 -5.10 107.32 112.12 2e9i s GLY 103 Ca 0.08 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.80 2e9i s GLY 103 CO 0.11 -1.57 0.08 1.85 0.00 0.00 0.00 173.10 173.56 2e9i s GLU 104 N -4.68 1.01 0.00 2.90 2.56 -1.26 -4.98 118.70 114.25 2e9i s GLU 104 Ca 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 54.97 54.21 2e9i s GLU 104 Cb -0.06 -2.45 0.00 0.00 2.00 0.00 0.00 34.13 33.61 2e9i s GLU 104 CO 0.39 -0.97 0.00 0.41 -0.56 0.00 0.00 175.26 174.53 2e9i n GLY 105 N 4.62 -1.35 2.27 -1.50 0.00 -1.26 -5.37 105.19 102.60 2e9i n GLY 105 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93