#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9i s SER 2 N 0.00 0.02 0.36 1.61 0.15 -1.26 -5.15 113.70 109.42 2e9i s SER 2 Ca 0.00 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 2e9i s SER 2 Cb 0.00 0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 2e9i s SER 2 CO 0.00 -0.10 0.53 -0.94 1.20 0.00 0.00 173.24 173.94 2e9i s SER 3 N 0.76 0.87 -0.38 5.45 1.04 -1.26 -5.14 113.70 115.04 2e9i s SER 3 Ca -0.06 -1.47 -0.02 0.00 0.48 0.00 0.00 55.95 54.88 2e9i s SER 3 Cb -0.09 0.71 0.19 0.00 0.10 0.00 0.00 66.02 66.93 2e9i s SER 3 CO -0.02 -1.38 0.89 -0.83 0.98 0.00 0.00 173.24 172.87 2e9i s GLY 4 N -3.23 -1.49 -0.01 7.32 0.00 -1.26 -5.04 107.32 103.61 2e9i s GLY 4 Ca 0.28 0.63 -0.24 0.00 0.00 0.00 0.00 44.72 45.39 2e9i s GLY 4 CO 0.20 4.04 1.19 0.23 0.00 0.00 0.00 173.10 178.76 2e9i h SER 5 N 5.63 -0.21 -6.51 1.64 0.87 -2.01 -3.46 113.55 109.50 2e9i h SER 5 Ca 0.01 -0.29 -0.49 0.00 -1.23 0.00 0.00 61.79 59.79 2e9i h SER 5 Cb 1.19 0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 62.98 2e9i h SER 5 CO -0.02 0.21 -0.74 -1.54 -0.53 0.00 0.00 176.83 174.21 2e9i n SER 6 N -5.01 -0.18 0.00 6.23 3.41 -1.26 -3.80 113.62 113.01 2e9i n SER 6 Ca -0.09 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2e9i n SER 6 Cb 0.25 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2e9i n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9i n GLY 7 N -1.70 1.38 4.16 5.00 0.00 -1.26 -4.94 105.19 107.83 2e9i n GLY 7 Ca -0.11 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 2e9i n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2e9i n ARG 8 N 3.60 -0.81 -3.80 1.61 0.63 -1.25 -4.89 116.66 111.74 2e9i n ARG 8 Ca 0.00 0.11 -0.13 0.00 -0.92 0.00 0.00 57.85 56.91 2e9i n ARG 8 Cb 0.00 -3.82 -0.14 0.00 0.45 0.00 0.00 32.46 28.96 2e9i n ARG 8 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2e9i s VAL 9 N -3.40 -0.02 -0.05 5.15 0.11 -1.26 -5.12 120.40 115.80 2e9i s VAL 9 Ca 0.49 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 2e9i s VAL 9 Cb -0.29 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2e9i s VAL 9 CO 0.90 0.03 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.80 2e9i s LYS 10 N 0.50 1.78 -0.09 1.54 2.20 -1.26 -5.06 119.74 119.35 2e9i s LYS 10 Ca -0.04 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2e9i s LYS 10 Cb -0.05 -1.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 2e9i s LYS 10 CO -0.02 0.15 -0.15 0.39 -0.36 0.00 0.00 175.35 175.36 2e9i n GLU 11 N 3.44 0.28 -1.75 4.03 -0.58 -1.26 -4.96 120.64 119.84 2e9i n GLU 11 Ca -0.20 0.30 -0.38 0.00 -0.42 0.00 0.00 57.16 56.46 2e9i n GLU 11 Cb 0.53 -1.20 0.05 0.00 -0.57 0.00 0.00 31.44 30.25 2e9i n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2e9i s SER 12 N -4.94 5.02 -0.04 1.62 1.04 -1.26 -5.03 113.70 110.11 2e9i s SER 12 Ca -0.12 2.74 -0.01 0.00 0.48 0.00 0.00 55.95 59.04 2e9i s SER 12 Cb 0.02 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2e9i s SER 12 CO 0.18 -1.74 0.02 -0.63 0.98 0.00 0.00 173.24 172.05 2e9i s ILE 13 N -1.32 0.13 -0.91 -1.02 -1.09 -1.26 -4.84 121.20 110.89 2e9i s ILE 13 Ca 0.75 0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 59.29 2e9i s ILE 13 Cb -0.40 -0.30 0.09 0.00 -1.58 0.00 0.00 42.46 40.27 2e9i s ILE 13 CO 0.46 0.19 0.29 0.35 -1.23 0.00 0.00 174.94 174.99 2e9i n THR 14 N 4.82 -0.21 -3.57 2.92 -2.24 -1.26 -4.86 114.28 109.88 2e9i n THR 14 Ca -0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 2e9i n THR 14 Cb 0.50 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 2e9i n THR 14 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2e9i s ARG 15 N -5.93 2.80 0.38 -0.78 0.52 -1.26 -5.06 118.95 109.62 2e9i s ARG 15 Ca 0.35 -2.27 0.08 0.00 -0.52 0.00 0.00 55.73 53.37 2e9i s ARG 15 Cb -0.20 -3.97 -0.07 0.00 0.52 0.00 0.00 34.95 31.23 2e9i s ARG 15 CO 0.43 -1.21 0.00 0.95 0.02 0.00 0.00 175.30 175.49 2e9i s THR 16 N 0.45 2.22 0.50 0.02 -4.23 -1.26 -5.09 115.64 108.24 2e9i s THR 16 Ca 0.14 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 2e9i s THR 16 Cb -0.19 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 2e9i s THR 16 CO -0.04 -0.09 0.14 -0.44 -0.54 0.00 0.00 174.62 173.65 2e9i s SER 17 N -3.71 4.30 0.05 3.99 0.01 -1.26 -5.14 113.70 111.94 2e9i s SER 17 Ca 0.35 -1.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.13 2e9i s SER 17 Cb 0.05 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 2e9i s SER 17 CO 0.18 -0.85 0.28 0.00 0.41 0.00 0.00 173.24 173.26 2e9i s ARG 18 N -3.98 3.56 -0.27 12.44 1.70 -1.26 -5.09 118.95 126.04 2e9i s ARG 18 Ca 0.21 -0.16 -0.27 0.00 -0.47 0.00 0.00 55.73 55.04 2e9i s ARG 18 Cb 0.01 -3.01 0.17 0.00 -0.57 0.00 0.00 34.95 31.55 2e9i s ARG 18 CO 0.12 0.60 1.25 0.00 -1.08 0.00 0.00 175.30 176.19 2e9i s ALA 19 N -1.43 -2.09 -2.00 7.88 0.00 -1.26 -5.01 121.76 117.85 2e9i s ALA 19 Ca 0.32 1.76 0.15 0.00 0.00 0.00 0.00 51.96 54.19 2e9i s ALA 19 Cb -0.13 -1.44 0.88 0.00 0.00 0.00 0.00 23.12 22.43 2e9i s ALA 19 CO 0.21 -0.20 1.30 -0.35 0.00 0.00 0.00 175.76 176.71 2e9i n PRO 20 N 1.27 0.49 -1.92 0.00 -0.04 -1.26 -4.72 135.00 128.81 2e9i n PRO 20 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 2e9i n PRO 20 Cb 0.57 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2e9i n PRO 20 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2e9i s SER 21 N -1.98 5.56 0.37 3.54 0.01 -1.26 -4.97 113.70 114.97 2e9i s SER 21 Ca 0.22 1.12 0.08 0.00 1.31 0.00 0.00 55.95 58.68 2e9i s SER 21 Cb 0.10 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2e9i s SER 21 CO 0.17 -2.00 0.26 0.68 0.41 0.00 0.00 173.24 172.75 2e9i s VAL 22 N 8.06 3.00 0.17 3.43 -7.23 -1.26 -4.80 120.40 121.77 2e9i s VAL 22 Ca 0.81 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.38 2e9i s VAL 22 Cb -0.21 -3.05 -0.00 0.00 0.56 0.00 0.00 36.38 33.68 2e9i s VAL 22 CO 0.30 -0.11 0.32 0.00 -0.31 0.00 0.00 175.10 175.30 2e9i s ALA 23 N -2.42 -0.09 0.43 1.32 0.00 -1.23 -5.07 121.76 114.69 2e9i s ALA 23 Ca 0.42 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2e9i s ALA 23 Cb -0.03 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2e9i s ALA 23 CO 0.25 -0.68 0.10 -0.08 0.00 0.00 0.00 175.76 175.35 2e9i s THR 24 N -3.96 0.75 -0.07 0.00 -1.32 -1.26 -1.60 115.64 108.19 2e9i s THR 24 Ca 0.17 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.70 2e9i s THR 24 Cb 0.03 -2.32 -0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2e9i s THR 24 CO 0.01 0.00 -0.21 0.54 -2.21 0.00 0.00 174.62 172.75 2e9i s VAL 25 N -3.13 1.76 0.00 5.08 0.11 -1.12 -4.68 120.40 118.43 2e9i s VAL 25 Ca 0.20 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2e9i s VAL 25 Cb 0.02 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 2e9i s VAL 25 CO 0.12 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 2e9i n GLY 26 N 3.27 1.20 3.29 6.54 0.00 -1.26 -4.82 105.19 113.40 2e9i n GLY 26 Ca -0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2e9i n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9i s SER 27 N -2.44 -0.22 -0.69 1.61 1.04 -1.26 -5.11 113.70 106.63 2e9i s SER 27 Ca 0.00 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2e9i s SER 27 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2e9i s SER 27 CO 0.00 -0.59 1.36 -0.63 0.98 0.00 0.00 173.24 174.36 2e9i s ILE 28 N -2.15 3.70 0.13 -1.02 1.01 -1.26 -4.22 121.20 117.39 2e9i s ILE 28 Ca -0.08 0.45 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 2e9i s ILE 28 Cb -0.02 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.65 2e9i s ILE 28 CO -0.00 -1.63 0.69 0.00 0.00 0.00 0.00 174.94 174.00 2e9i s ASP 30 N -1.17 5.84 -0.53 0.00 -4.77 -1.26 -2.75 116.67 112.03 2e9i s ASP 30 Ca 0.34 -1.28 -0.17 0.00 -3.30 0.00 0.00 52.55 48.13 2e9i s ASP 30 Cb -0.21 -2.06 0.10 0.00 -1.09 0.00 0.00 42.92 39.65 2e9i s ASP 30 CO 0.23 -0.52 0.54 -0.22 0.70 0.00 0.00 175.17 175.89 2e9i s LEU 31 N 1.54 5.66 -0.05 2.11 2.96 0.67 -4.93 118.68 126.64 2e9i s LEU 31 Ca 0.03 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.25 2e9i s LEU 31 Cb -0.22 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2e9i s LEU 31 CO 0.05 -0.86 0.75 0.54 -1.32 0.00 0.00 176.35 175.50 2e9i s ASN 32 N 3.19 7.06 -0.07 3.68 4.22 -1.26 -2.00 114.94 129.75 2e9i s ASN 32 Ca 0.07 1.28 -0.00 0.00 -2.14 0.00 0.00 52.86 52.07 2e9i s ASN 32 Cb -0.25 -2.44 0.03 0.00 1.28 0.00 0.00 41.25 39.86 2e9i s ASN 32 CO 0.06 -0.13 -0.03 -0.76 -2.04 0.00 0.00 177.10 174.21 2e9i s LEU 33 N 0.76 0.93 -1.03 3.54 1.43 -1.17 -5.04 118.68 118.10 2e9i s LEU 33 Ca 0.40 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.12 2e9i s LEU 33 Cb -0.18 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.51 2e9i s LEU 33 CO 0.20 -0.14 1.68 -0.54 0.23 0.00 0.00 176.35 177.78 2e9i s LYS 34 N 1.61 3.24 -0.13 1.70 -0.14 -1.26 -3.79 119.74 120.98 2e9i s LYS 34 Ca 0.00 -0.98 -0.07 0.00 -1.36 0.00 0.00 55.97 53.56 2e9i s LYS 34 Cb -0.13 -5.28 -0.04 0.00 -1.68 0.00 0.00 37.83 30.70 2e9i s LYS 34 CO -0.04 -2.71 0.12 0.42 -0.76 0.00 0.00 175.35 172.37 2e9i s ILE 35 N 6.91 5.31 0.00 2.17 1.01 -1.23 -5.06 121.20 130.32 2e9i s ILE 35 Ca 0.56 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2e9i s ILE 35 Cb -0.02 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2e9i s ILE 35 CO -0.03 0.59 0.00 -0.81 0.00 0.00 0.00 174.94 174.69 2e9i n PRO 36 N 2.22 0.06 0.22 2.79 -0.04 -1.26 -3.84 135.00 135.15 2e9i n PRO 36 Ca -0.19 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2e9i n PRO 36 Cb 0.54 0.00 0.46 0.00 -0.04 0.00 0.00 33.50 34.46 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 -4.74 0.54 4.39 -1.91 -3.43 114.58 109.43 2e9i h GLU 37 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 2e9i h GLU 37 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2e9i h GLU 37 CO 0.00 0.00 0.32 -0.89 -1.16 0.00 0.00 179.01 177.28 2e9i n ILE 38 N -2.91 0.00 -2.33 3.13 5.41 -1.26 -4.86 119.36 116.54 2e9i n ILE 38 Ca 0.04 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.44 2e9i n ILE 38 Cb 0.80 -0.21 -0.01 0.00 -0.71 0.00 0.00 39.64 39.51 2e9i n ILE 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2e9i s ASN 39 N 1.28 5.96 0.39 4.38 2.47 -1.26 -4.94 114.94 123.22 2e9i s ASN 39 Ca 0.78 2.03 0.13 0.00 0.42 0.00 0.00 52.86 56.22 2e9i s ASN 39 Cb -1.10 -2.57 0.79 0.00 -1.45 0.00 0.00 41.25 36.92 2e9i s ASN 39 CO 0.56 -1.05 1.87 0.77 -3.72 0.00 0.00 177.10 175.53 2e9i h SER 40 N 1.22 0.00 0.32 -4.21 4.64 -1.93 -2.52 113.55 111.08 2e9i h SER 40 Ca -0.49 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 2e9i h SER 40 Cb 1.24 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2e9i h SER 40 CO 0.58 0.32 -0.48 -1.28 -0.87 0.00 0.00 176.83 175.10 2e9i h SER 41 N 0.00 0.21 1.37 4.97 0.87 -1.99 -2.69 113.55 116.29 2e9i h SER 41 Ca -0.00 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2e9i h SER 41 Cb 0.57 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2e9i h SER 41 CO 0.04 0.67 -0.05 0.44 -0.53 0.00 0.00 176.83 177.40 2e9i h ASP 42 N 0.16 0.00 -1.78 6.23 5.19 -1.84 -3.45 116.42 120.94 2e9i h ASP 42 Ca 0.01 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.98 2e9i h ASP 42 Cb 0.92 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.46 2e9i h ASP 42 CO 0.07 0.05 -0.15 -0.04 -3.12 0.00 0.00 179.24 176.05 2e9i s MET 43 N -3.48 2.64 -0.22 3.56 -1.94 -1.02 -2.31 119.30 116.54 2e9i s MET 43 Ca 0.03 -1.11 -0.12 0.00 -1.71 0.00 0.00 55.69 52.78 2e9i s MET 43 Cb 0.08 -2.64 0.07 0.00 2.01 0.00 0.00 34.83 34.34 2e9i s MET 43 CO 0.61 -0.52 0.53 -1.12 -0.01 0.00 0.00 175.02 174.50 2e9i s SER 44 N -4.42 -0.70 -0.11 3.03 0.01 -1.14 -4.96 113.70 105.42 2e9i s SER 44 Ca 0.57 1.15 0.03 0.00 1.31 0.00 0.00 55.95 59.01 2e9i s SER 44 Cb -0.10 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.17 2e9i s SER 44 CO 0.36 -0.21 -0.23 0.00 0.41 0.00 0.00 173.24 173.56 2e9i s ALA 45 N 1.50 2.20 -0.12 1.44 0.00 -1.26 -2.96 121.76 122.56 2e9i s ALA 45 Ca -0.10 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 2e9i s ALA 45 Cb -0.07 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.23 2e9i s ALA 45 CO -0.16 0.20 0.29 -1.01 0.00 0.00 0.00 175.76 175.08 2e9i s HIS 46 N 0.48 -0.41 -0.39 0.00 3.76 -1.21 -0.75 115.29 116.77 2e9i s HIS 46 Ca -0.15 0.93 -0.19 0.00 -0.15 0.00 0.00 55.06 55.50 2e9i s HIS 46 Cb -0.17 0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.63 2e9i s HIS 46 CO 0.06 -0.27 0.55 0.08 -0.85 0.00 0.00 174.74 174.31 2e9i s VAL 47 N 1.32 4.96 -0.30 -0.90 1.01 0.18 -0.51 120.40 126.17 2e9i s VAL 47 Ca -0.09 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2e9i s VAL 47 Cb -0.10 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2e9i s VAL 47 CO -0.10 -0.36 0.68 -0.89 0.00 0.00 0.00 175.10 174.43 2e9i s THR 48 N 2.50 4.90 0.53 3.92 2.01 0.12 -1.43 115.64 128.18 2e9i s THR 48 Ca 0.19 1.00 -0.18 0.00 0.31 0.00 0.00 61.69 63.02 2e9i s THR 48 Cb -0.15 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 2e9i s THR 48 CO 0.15 -0.15 1.04 -0.44 -0.69 0.00 0.00 174.62 174.53 2e9i s SER 49 N 1.61 6.14 0.00 3.53 0.01 0.88 -3.23 113.70 122.64 2e9i s SER 49 Ca 0.28 1.84 0.16 0.00 1.31 0.00 0.00 55.95 59.53 2e9i s SER 49 Cb -0.15 -2.54 0.91 0.00 0.21 0.00 0.00 66.02 64.45 2e9i s SER 49 CO 0.11 -0.92 1.35 -0.81 0.41 0.00 0.00 173.24 173.39 2e9i n PRO 50 N -1.48 0.46 0.01 12.44 -0.04 -1.25 -1.99 135.00 143.16 2e9i n PRO 50 Ca 0.09 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2e9i n PRO 50 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.03 0.34 0.00 3.54 3.41 -1.26 -4.97 113.62 113.64 2e9i n SER 51 Ca 0.11 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2e9i n SER 51 Cb 0.06 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 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 1.30 1.96 3.59 5.00 0.00 -0.84 -5.14 105.19 111.05 2e9i n GLY 52 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.30 2.13 -0.15 1.61 0.52 -1.24 -4.95 118.95 116.56 2e9i s ARG 53 Ca 0.00 -1.25 -0.01 0.00 -0.52 0.00 0.00 55.73 53.96 2e9i s ARG 53 Cb 0.00 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 33.31 2e9i s ARG 53 CO 0.00 0.44 -0.05 0.08 0.02 0.00 0.00 175.30 175.78 2e9i s VAL 54 N -1.73 1.05 -0.09 3.52 1.01 -1.26 -0.08 120.40 122.81 2e9i s VAL 54 Ca 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2e9i s VAL 54 Cb -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2e9i s VAL 54 CO 0.16 0.19 -0.07 0.42 0.00 0.00 0.00 175.10 175.80 2e9i s THR 55 N 1.67 3.65 0.10 3.92 -4.23 -0.52 -4.95 115.64 115.29 2e9i s THR 55 Ca 0.02 -0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 59.82 2e9i s THR 55 Cb -0.14 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 2e9i s THR 55 CO -0.08 0.57 0.68 -0.70 -0.54 0.00 0.00 174.62 174.56 2e9i s GLU 56 N -0.50 4.40 0.32 3.99 2.12 -1.26 0.48 118.70 128.25 2e9i s GLU 56 Ca 0.07 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.44 2e9i s GLU 56 Cb -0.12 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2e9i s GLU 56 CO 0.02 0.53 0.20 0.00 -0.54 0.00 0.00 175.26 175.47 2e9i s ALA 57 N -0.87 3.63 0.02 6.30 0.00 0.07 -4.90 121.76 126.01 2e9i s ALA 57 Ca 0.33 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2e9i s ALA 57 Cb -0.21 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2e9i s ALA 57 CO 0.22 0.07 0.01 -2.00 0.00 0.00 0.00 175.76 174.07 2e9i s GLU 58 N -3.89 2.76 -0.36 0.00 2.56 -1.26 -4.64 118.70 113.87 2e9i s GLU 58 Ca 0.38 -0.66 0.03 0.00 0.00 0.00 0.00 54.97 54.72 2e9i s GLU 58 Cb -0.05 -2.66 0.10 0.00 2.00 0.00 0.00 34.13 33.52 2e9i s GLU 58 CO 0.24 0.60 0.08 0.42 -0.56 0.00 0.00 175.26 176.05 2e9i s ILE 59 N -1.16 2.46 0.16 -3.70 1.01 -1.26 -3.35 121.20 115.36 2e9i s ILE 59 Ca 0.22 -2.32 -0.30 0.00 0.00 0.00 0.00 60.65 58.25 2e9i s ILE 59 Cb -0.12 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 2e9i s ILE 59 CO 0.13 -0.62 1.24 -0.69 0.00 0.00 0.00 174.94 175.00 2e9i s VAL 60 N 0.92 3.55 -0.18 2.92 1.01 0.17 -4.87 120.40 123.93 2e9i s VAL 60 Ca 0.11 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 2e9i s VAL 60 Cb -0.20 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2e9i s VAL 60 CO -0.07 0.17 1.59 -2.16 0.00 0.00 0.00 175.10 174.62 2e9i s PRO 61 N 0.12 3.92 -0.19 2.72 0.04 -1.26 -1.69 135.00 138.65 2e9i s PRO 61 Ca 0.56 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 2e9i s PRO 61 Cb -0.33 -4.00 -0.20 0.00 0.04 0.00 0.00 34.50 30.01 2e9i s PRO 61 CO 0.35 -1.14 0.21 -1.33 0.04 0.00 0.00 177.00 175.13 2e9i n MET 62 N 7.44 0.61 0.00 4.56 2.81 -1.15 -4.93 117.12 126.46 2e9i n MET 62 Ca 0.18 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 2e9i n MET 62 Cb 0.45 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2e9i n MET 62 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e9i n GLY 63 N 1.55 1.49 0.14 3.03 0.00 -1.16 -4.96 105.19 105.28 2e9i n GLY 63 Ca -0.34 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.60 -0.31 1.61 2.85 -1.26 -4.63 118.16 117.02 2e9i n LYS 64 Ca 0.00 0.25 0.08 0.00 -1.05 0.00 0.00 58.31 57.59 2e9i n LYS 64 Cb 0.00 -1.51 0.16 0.00 -0.65 0.00 0.00 35.03 33.03 2e9i n LYS 64 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2e9i n ASN 65 N -4.05 2.03 -4.22 -5.58 6.94 -1.26 -4.52 115.26 104.59 2e9i n ASN 65 Ca -0.52 -3.38 -0.22 0.00 -0.02 0.00 0.00 54.58 50.44 2e9i n ASN 65 Cb 0.90 -0.46 -0.13 0.00 -2.36 0.00 0.00 39.78 37.73 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2e9i s SER 66 N -2.97 2.17 -0.15 0.53 1.04 -1.25 -3.47 113.70 109.59 2e9i s SER 66 Ca 0.34 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 2e9i s SER 66 Cb 0.31 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2e9i s SER 66 CO -0.01 0.05 0.45 -1.00 0.98 0.00 0.00 173.24 173.71 2e9i s HIS 67 N -1.03 -0.48 -0.07 5.02 3.76 -1.25 -2.96 115.29 118.30 2e9i s HIS 67 Ca 0.04 1.14 0.04 0.00 -0.15 0.00 0.00 55.06 56.13 2e9i s HIS 67 Cb -0.09 0.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.77 2e9i s HIS 67 CO 0.03 -0.26 -0.20 0.00 -0.85 0.00 0.00 174.74 173.46 2e9i s VAL 69 N 0.19 3.37 -0.08 0.00 1.01 -0.85 0.46 120.40 124.51 2e9i s VAL 69 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2e9i s VAL 69 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2e9i s VAL 69 CO 0.05 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.63 2e9i s ARG 70 N -0.40 1.39 0.25 2.72 1.70 -1.21 -0.24 118.95 123.16 2e9i s ARG 70 Ca 0.05 -0.27 -0.21 0.00 -0.47 0.00 0.00 55.73 54.83 2e9i s ARG 70 Cb -0.12 -1.31 0.03 0.00 -0.57 0.00 0.00 34.95 32.97 2e9i s ARG 70 CO 0.02 -0.11 0.68 -0.59 -1.08 0.00 0.00 175.30 174.23 2e9i s PHE 71 N 1.12 -0.26 -0.69 5.89 -0.12 -1.11 -4.31 117.98 118.50 2e9i s PHE 71 Ca -0.07 -0.13 -0.10 0.00 -0.05 0.00 0.00 56.93 56.58 2e9i s PHE 71 Cb -0.14 0.66 0.18 0.00 -0.63 0.00 0.00 43.02 43.08 2e9i s PHE 71 CO -0.01 -1.13 0.58 0.08 -0.05 0.00 0.00 175.22 174.69 2e9i s VAL 72 N -3.88 4.83 -1.09 -2.49 1.01 -1.26 -1.31 120.40 116.21 2e9i s VAL 72 Ca 0.09 -2.40 -0.23 0.00 0.00 0.00 0.00 61.98 59.43 2e9i s VAL 72 Cb -0.05 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 2e9i s VAL 72 CO 0.02 -0.93 1.94 -2.16 0.00 0.00 0.00 175.10 173.97 2e9i s PRO 73 N 0.43 2.50 -0.25 2.72 0.04 -1.26 -4.86 135.00 134.34 2e9i s PRO 73 Ca 0.14 -0.88 0.01 0.00 0.04 0.00 0.00 61.00 60.31 2e9i s PRO 73 Cb -0.17 -5.18 0.04 0.00 0.04 0.00 0.00 34.50 29.23 2e9i s PRO 73 CO -0.05 -3.80 -0.11 -1.14 0.04 0.00 0.00 177.00 171.94 2e9i s GLN 74 N 6.66 2.52 0.35 4.56 0.74 -1.26 -4.37 119.66 128.86 2e9i s GLN 74 Ca 0.69 -1.17 0.04 0.00 0.05 0.00 0.00 55.36 54.97 2e9i s GLN 74 Cb -0.03 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 2e9i s GLN 74 CO 0.09 -0.47 0.39 -1.21 -0.55 0.00 0.00 175.29 173.53 2e9i s GLU 75 N 1.20 1.89 0.00 1.67 8.01 -1.26 -5.05 118.70 125.16 2e9i s GLU 75 Ca -0.04 -1.94 0.22 0.00 0.01 0.00 0.00 54.97 53.22 2e9i s GLU 75 Cb -0.18 0.39 0.41 0.00 -4.31 0.00 0.00 34.13 30.44 2e9i s GLU 75 CO -0.06 -0.75 1.37 -1.33 0.01 0.00 0.00 175.26 174.51 2e9i n MET 76 N -0.63 2.45 0.00 1.61 2.81 -1.26 -4.98 117.12 117.12 2e9i n MET 76 Ca 0.05 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 2e9i n MET 76 Cb 0.62 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 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 1.41 3.40 3.82 3.03 0.00 -1.26 -5.06 105.19 110.52 2e9i n GLY 77 Ca 0.19 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 1.80 4.74 -0.20 1.61 0.11 -1.26 -4.61 120.40 122.59 2e9i s VAL 78 Ca 0.00 1.12 -0.10 0.00 -2.93 0.00 0.00 61.98 60.07 2e9i s VAL 78 Cb 0.00 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 2e9i s VAL 78 CO 0.00 0.39 0.13 -1.00 -3.33 0.00 0.00 175.10 171.29 2e9i s HIS 79 N -1.30 3.41 -0.08 1.54 0.09 -1.12 -3.77 115.29 114.07 2e9i s HIS 79 Ca 0.34 0.33 0.02 0.00 -0.00 0.00 0.00 55.06 55.76 2e9i s HIS 79 Cb -0.18 -2.15 0.01 0.00 -0.00 0.00 0.00 32.58 30.26 2e9i s HIS 79 CO 0.20 0.30 -0.15 0.99 -0.00 0.00 0.00 174.74 176.08 2e9i s THR 80 N 0.32 1.37 -0.32 1.30 2.01 -1.20 -2.25 115.64 116.87 2e9i s THR 80 Ca 0.08 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 2e9i s THR 80 Cb -0.11 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.17 2e9i s THR 80 CO -0.02 0.41 0.14 -0.69 -0.69 0.00 0.00 174.62 173.77 2e9i s VAL 81 N 0.74 4.34 -0.87 3.82 1.01 0.16 0.10 120.40 129.70 2e9i s VAL 81 Ca -0.12 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2e9i s VAL 81 Cb -0.16 -3.28 0.11 0.00 0.00 0.00 0.00 36.38 33.05 2e9i s VAL 81 CO 0.03 -0.00 1.12 -0.55 0.00 0.00 0.00 175.10 175.70 2e9i s SER 82 N 1.55 6.50 -0.42 3.32 0.15 0.34 -1.11 113.70 124.03 2e9i s SER 82 Ca 0.03 -1.70 -0.14 0.00 0.70 0.00 0.00 55.95 54.84 2e9i s SER 82 Cb -0.18 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2e9i s SER 82 CO 0.05 -1.21 0.30 -0.69 1.20 0.00 0.00 173.24 172.88 2e9i s VAL 83 N 3.31 5.08 0.39 4.45 1.01 -1.26 -3.35 120.40 130.02 2e9i s VAL 83 Ca 0.31 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2e9i s VAL 83 Cb -0.07 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2e9i s VAL 83 CO -0.04 -0.36 0.01 -0.54 0.00 0.00 0.00 175.10 174.17 2e9i s LYS 84 N 1.64 1.98 -0.36 2.72 1.02 -1.16 -1.62 119.74 123.96 2e9i s LYS 84 Ca 0.04 -2.01 -0.00 0.00 0.02 0.00 0.00 55.97 54.02 2e9i s LYS 84 Cb -0.20 -1.73 0.12 0.00 -0.52 0.00 0.00 37.83 35.51 2e9i s LYS 84 CO 0.08 -0.01 0.18 -0.47 -0.92 0.00 0.00 175.35 174.22 2e9i s TYR 85 N -2.66 1.32 -1.04 3.18 5.04 0.89 -2.86 117.35 121.22 2e9i s TYR 85 Ca 0.35 -1.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 2e9i s TYR 85 Cb 0.07 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.95 2e9i s TYR 85 CO 0.18 -0.83 0.00 0.54 -1.34 0.00 0.00 175.55 174.11 2e9i n ARG 86 N 4.23 -0.87 -0.68 4.97 1.74 -0.98 -3.51 116.66 121.57 2e9i n ARG 86 Ca 0.05 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2e9i n ARG 86 Cb 0.38 -4.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.08 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 -1.18 0.93 3.46 -0.13 0.00 -1.26 -5.10 105.19 101.91 2e9i n GLY 87 Ca -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.27 0.56 0.16 1.61 -2.07 -1.23 -4.84 119.66 112.58 2e9i s GLN 88 Ca 0.00 1.28 -0.34 0.00 -1.82 0.00 0.00 55.36 54.48 2e9i s GLN 88 Cb 0.00 0.72 -0.14 0.00 -1.09 0.00 0.00 33.01 32.51 2e9i s GLN 88 CO 0.00 -0.34 1.59 0.72 -1.32 0.00 0.00 175.29 175.94 2e9i n HIS 89 N 5.44 2.29 -1.67 9.60 8.25 -1.26 -0.08 115.22 137.80 2e9i n HIS 89 Ca -0.08 0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 2e9i n HIS 89 Cb 0.50 -2.55 0.20 0.00 1.12 0.00 0.00 29.99 29.26 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 3.48 0.00 -1.66 1.59 0.24 -0.64 -4.86 118.33 116.48 2e9i n VAL 90 Ca 0.17 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.34 61.24 2e9i n VAL 90 Cb 0.29 -1.48 -0.00 0.00 -1.47 0.00 0.00 33.84 31.18 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 -3.92 2.19 -1.66 3.34 -1.04 -1.26 -1.05 114.28 110.87 2e9i n THR 91 Ca 0.15 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.50 2e9i n THR 91 Cb 0.54 -1.36 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 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 0.96 1.17 3.61 3.41 0.00 -1.26 -4.95 105.19 108.13 2e9i n GLY 92 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.33 4.72 0.93 1.61 0.15 -0.22 -3.50 113.70 115.06 2e9i s SER 93 Ca 0.00 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 2e9i s SER 93 Cb 0.00 -1.15 0.15 0.00 -1.71 0.00 0.00 66.02 63.30 2e9i s SER 93 CO 0.00 0.31 1.09 -2.16 1.20 0.00 0.00 173.24 173.68 2e9i s PRO 94 N -1.23 1.00 -0.15 5.44 0.04 -1.26 -4.71 135.00 134.13 2e9i s PRO 94 Ca 0.16 0.72 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 2e9i s PRO 94 Cb -0.11 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2e9i s PRO 94 CO 0.06 -2.39 0.16 -0.06 0.04 0.00 0.00 177.00 174.80 2e9i s PHE 95 N -2.94 3.52 -0.10 0.56 0.08 -0.27 -4.94 117.98 113.88 2e9i s PHE 95 Ca 0.64 0.48 0.02 0.00 0.12 0.00 0.00 56.93 58.19 2e9i s PHE 95 Cb -0.18 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 2e9i s PHE 95 CO 0.57 0.52 -0.16 -0.65 -0.10 0.00 0.00 175.22 175.39 2e9i s GLN 96 N -0.36 2.30 -0.05 0.44 -0.21 -1.26 -0.67 119.66 119.85 2e9i s GLN 96 Ca 0.13 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.83 2e9i s GLN 96 Cb -0.12 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 31.99 2e9i s GLN 96 CO 0.02 -0.02 0.21 -0.59 -2.12 0.00 0.00 175.29 172.78 2e9i s PHE 97 N 0.86 -0.16 0.08 0.91 -0.12 -0.96 -5.00 117.98 113.61 2e9i s PHE 97 Ca -0.09 0.36 -0.16 0.00 -0.05 0.00 0.00 56.93 56.99 2e9i s PHE 97 Cb -0.15 0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.22 2e9i s PHE 97 CO 0.00 -0.19 0.52 -0.08 -0.05 0.00 0.00 175.22 175.43 2e9i s THR 98 N -0.42 4.85 0.20 -4.49 -1.32 -1.26 -2.80 115.64 110.39 2e9i s THR 98 Ca -0.05 0.99 0.10 0.00 -1.21 0.00 0.00 61.69 61.52 2e9i s THR 98 Cb -0.03 -3.80 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 2e9i s THR 98 CO 0.01 0.45 -0.16 -0.69 -2.21 0.00 0.00 174.62 172.01 2e9i s VAL 99 N -1.23 2.78 0.08 5.08 1.01 -1.26 -3.56 120.40 123.30 2e9i s VAL 99 Ca 0.31 -1.88 0.10 0.00 0.00 0.00 0.00 61.98 60.51 2e9i s VAL 99 Cb -0.17 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2e9i s VAL 99 CO 0.18 -0.14 -0.26 -0.83 0.00 0.00 0.00 175.10 174.05 2e9i s GLY 100 N -2.83 1.44 0.00 4.51 0.00 -0.62 -4.96 107.32 104.86 2e9i s GLY 100 Ca 0.24 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2e9i s GLY 100 CO 0.13 -1.27 0.00 -1.55 0.00 0.00 0.00 173.10 170.41 2e9i n PRO 101 N 1.37 -0.68 -4.42 2.90 -0.04 -1.26 -2.78 135.00 130.10 2e9i n PRO 101 Ca -0.18 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 2e9i n PRO 101 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2e9i n PRO 101 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2e9i s LEU 102 N 0.00 2.61 0.00 1.53 2.34 -1.26 -4.77 118.68 119.13 2e9i s LEU 102 Ca 0.00 -1.42 0.00 0.00 0.06 0.00 0.00 54.13 52.77 2e9i s LEU 102 Cb 0.00 -0.99 0.00 0.00 -0.56 0.00 0.00 46.19 44.64 2e9i s LEU 102 CO 0.00 -0.81 0.00 0.61 -1.06 0.00 0.00 176.35 175.09 2e9i n GLY 103 N -1.35 0.61 3.52 -3.48 0.00 -1.26 -5.06 105.19 98.18 2e9i n GLY 103 Ca -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 0.52 0.00 1.61 2.12 -1.26 -5.03 118.70 116.66 2e9i s GLU 104 Ca 0.00 1.32 0.00 0.00 0.36 0.00 0.00 54.97 56.65 2e9i s GLU 104 Cb 0.00 0.72 0.00 0.00 0.26 0.00 0.00 34.13 35.11 2e9i s GLU 104 CO 0.00 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 2e9i n GLY 105 N 5.43 0.00 3.37 -1.50 0.00 -1.26 -5.30 105.19 105.94 2e9i n GLY 105 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93