#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 3.91 0.02 1.61 0.15 -1.26 -5.14 113.70 113.00 2e9i s SER 2 Ca 0.00 -0.58 -0.28 0.00 0.70 0.00 0.00 55.95 55.79 2e9i s SER 2 Cb 0.00 -0.55 0.08 0.00 -1.71 0.00 0.00 66.02 63.84 2e9i s SER 2 CO 0.00 0.16 0.71 -0.94 1.20 0.00 0.00 173.24 174.37 2e9i s SER 3 N -2.28 -0.56 0.00 5.45 1.04 -1.26 -5.16 113.70 110.93 2e9i s SER 3 Ca 0.19 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2e9i s SER 3 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2e9i s SER 3 CO 0.11 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2e9i n GLY 4 N 0.27 -0.43 3.91 7.32 0.00 -1.26 -5.02 105.19 109.98 2e9i n GLY 4 Ca -0.16 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.32 2e9i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e9i n SER 5 N 0.00 -4.10 -3.86 1.61 7.64 -1.26 -4.97 113.62 108.68 2e9i n SER 5 Ca 0.00 -0.81 -0.12 0.00 1.01 0.00 0.00 58.87 58.95 2e9i n SER 5 Cb 0.00 -3.80 -0.12 0.00 -1.01 0.00 0.00 64.21 59.28 2e9i n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e9i s SER 6 N -3.48 -0.04 -0.67 6.43 0.15 -1.26 -4.89 113.70 109.95 2e9i s SER 6 Ca 0.57 0.04 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 2e9i s SER 6 Cb -0.29 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2e9i s SER 6 CO 0.84 -0.13 0.57 0.61 1.20 0.00 0.00 173.24 176.33 2e9i n GLY 7 N 2.56 0.12 2.75 9.45 0.00 -1.26 -4.96 105.19 113.85 2e9i n GLY 7 Ca -0.16 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.74 3.58 -3.22 1.61 3.00 -1.26 -4.98 116.66 112.65 2e9i n ARG 8 Ca -0.06 -4.23 -0.43 0.00 -0.00 0.00 0.00 57.85 53.13 2e9i n ARG 8 Cb 0.55 -2.30 -0.07 0.00 0.00 0.00 0.00 32.46 30.64 2e9i n ARG 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2e9i s VAL 9 N -4.96 4.96 -0.32 5.15 0.11 -1.26 -5.02 120.40 119.07 2e9i s VAL 9 Ca 0.48 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 2e9i s VAL 9 Cb 0.35 -4.19 0.09 0.00 -1.53 0.00 0.00 36.38 31.10 2e9i s VAL 9 CO -0.26 -0.64 0.02 -0.54 -3.33 0.00 0.00 175.10 170.35 2e9i s LYS 10 N 2.42 1.62 -0.36 1.54 -0.14 -1.26 -5.07 119.74 118.49 2e9i s LYS 10 Ca 0.14 -1.75 -0.42 0.00 -1.36 0.00 0.00 55.97 52.58 2e9i s LYS 10 Cb -0.18 -3.11 -0.17 0.00 -1.68 0.00 0.00 37.83 32.68 2e9i s LYS 10 CO 0.13 -0.86 1.74 -0.85 -0.76 0.00 0.00 175.35 174.75 2e9i n GLU 11 N 4.30 0.73 -3.58 1.68 0.28 -1.26 -4.91 120.64 117.89 2e9i n GLU 11 Ca -0.00 0.26 -0.11 0.00 -0.16 0.00 0.00 57.16 57.15 2e9i n GLU 11 Cb 0.42 -1.90 -0.05 0.00 1.43 0.00 0.00 31.44 31.33 2e9i n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2e9i s SER 12 N 3.65 -0.41 0.11 -1.84 0.15 -1.26 -5.04 113.70 109.05 2e9i s SER 12 Ca 1.02 0.51 0.19 0.00 0.70 0.00 0.00 55.95 58.37 2e9i s SER 12 Cb -1.22 0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 63.41 2e9i s SER 12 CO 0.70 -0.34 0.89 -0.38 1.20 0.00 0.00 173.24 175.31 2e9i n ILE 13 N 0.97 0.99 -3.61 6.45 2.08 -1.26 -4.97 119.36 120.00 2e9i n ILE 13 Ca -0.11 -0.64 -0.07 0.00 0.56 0.00 0.00 62.75 62.48 2e9i n ILE 13 Cb 0.57 -0.60 -0.06 0.00 -0.75 0.00 0.00 39.64 38.81 2e9i n ILE 13 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2e9i s THR 14 N -3.08 0.00 -0.07 1.39 -1.32 -1.26 -5.14 115.64 106.16 2e9i s THR 14 Ca -0.02 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 2e9i s THR 14 Cb 0.09 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.12 2e9i s THR 14 CO 0.81 0.00 0.13 -0.60 -2.21 0.00 0.00 174.62 172.75 2e9i s ARG 15 N -0.66 0.01 0.14 7.08 6.06 -1.26 -5.05 118.95 125.27 2e9i s ARG 15 Ca 0.03 0.51 -0.26 0.00 -2.50 0.00 0.00 55.73 53.51 2e9i s ARG 15 Cb -0.02 -0.33 -0.02 0.00 0.06 0.00 0.00 34.95 34.64 2e9i s ARG 15 CO -0.04 -0.31 1.61 1.79 -2.50 0.00 0.00 175.30 175.85 2e9i h THR 16 N 6.38 0.29 -3.52 4.11 1.35 -2.05 -3.31 112.91 116.15 2e9i h THR 16 Ca -0.14 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.03 2e9i h THR 16 Cb 1.12 0.29 -0.36 0.00 -1.73 0.00 0.00 68.15 67.46 2e9i h THR 16 CO 0.15 0.00 -0.39 -0.94 -0.25 0.00 0.00 175.52 174.09 2e9i s SER 17 N -4.93 5.11 0.72 5.36 1.04 -1.26 -5.09 113.70 114.64 2e9i s SER 17 Ca -0.15 -2.93 -0.16 0.00 0.48 0.00 0.00 55.95 53.19 2e9i s SER 17 Cb 0.11 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2e9i s SER 17 CO 0.66 -0.34 0.97 -2.11 0.98 0.00 0.00 173.24 173.40 2e9i n ARG 18 N 3.36 0.53 -1.72 4.02 1.85 -1.25 -4.91 116.66 118.55 2e9i n ARG 18 Ca 0.08 0.24 -0.38 0.00 -1.00 0.00 0.00 57.85 56.79 2e9i n ARG 18 Cb 0.37 -2.22 0.05 0.00 -1.05 0.00 0.00 32.46 29.60 2e9i n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2e9i n ALA 19 N -2.47 1.23 -1.23 2.89 0.00 -1.26 -4.98 120.51 114.69 2e9i n ALA 19 Ca 0.13 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2e9i n ALA 19 Cb 0.49 -2.30 0.11 0.00 0.00 0.00 0.00 19.45 17.75 2e9i n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e9i s PRO 20 N -2.95 1.75 -0.15 0.00 0.04 -1.26 -5.08 135.00 127.35 2e9i s PRO 20 Ca 0.75 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 2e9i s PRO 20 Cb -0.41 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2e9i s PRO 20 CO 0.47 -1.95 0.34 -1.12 0.04 0.00 0.00 177.00 174.78 2e9i s SER 21 N -3.41 -0.18 -0.23 6.66 0.01 -1.26 -5.06 113.70 110.23 2e9i s SER 21 Ca 0.62 0.76 -0.35 0.00 1.31 0.00 0.00 55.95 58.30 2e9i s SER 21 Cb -0.18 0.80 -0.11 0.00 0.21 0.00 0.00 66.02 66.74 2e9i s SER 21 CO 0.56 -0.21 2.03 0.52 0.41 0.00 0.00 173.24 176.56 2e9i n VAL 22 N 4.78 0.37 -4.70 3.43 0.31 -1.26 -4.95 118.33 116.31 2e9i n VAL 22 Ca -0.16 -0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 63.63 2e9i n VAL 22 Cb 0.52 -1.80 -0.15 0.00 -0.91 0.00 0.00 33.84 31.50 2e9i n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e9i s ALA 23 N 5.85 2.50 0.58 3.52 0.00 -1.26 -5.10 121.76 127.86 2e9i s ALA 23 Ca 1.01 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2e9i s ALA 23 Cb -0.76 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.21 2e9i s ALA 23 CO 0.50 0.10 0.87 0.99 0.00 0.00 0.00 175.76 178.23 2e9i s THR 24 N 0.60 3.37 -0.07 0.00 2.01 -1.26 -2.58 115.64 117.71 2e9i s THR 24 Ca -0.09 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.77 2e9i s THR 24 Cb -0.16 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2e9i s THR 24 CO 0.03 -0.32 -0.21 0.54 -0.69 0.00 0.00 174.62 173.97 2e9i s VAL 25 N -2.94 2.38 -1.10 3.82 0.11 -1.24 -4.63 120.40 116.79 2e9i s VAL 25 Ca 0.54 -0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2e9i s VAL 25 Cb -0.10 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 2e9i s VAL 25 CO 0.43 0.57 0.59 0.61 -3.33 0.00 0.00 175.10 173.97 2e9i n GLY 26 N 2.91 -0.19 3.39 6.54 0.00 -1.25 -4.98 105.19 111.61 2e9i n GLY 26 Ca -0.17 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2e9i n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9i s SER 27 N -2.93 -0.58 -0.83 1.61 0.01 -1.26 -5.04 113.70 104.68 2e9i s SER 27 Ca 0.29 1.04 -0.18 0.00 1.31 0.00 0.00 55.95 58.42 2e9i s SER 27 Cb -0.13 0.98 -0.21 0.00 0.21 0.00 0.00 66.02 66.88 2e9i s SER 27 CO 0.36 -0.19 2.16 -0.38 0.41 0.00 0.00 173.24 175.60 2e9i n ILE 28 N 3.57 0.00 -3.06 1.44 5.41 -1.26 -4.30 119.36 121.17 2e9i n ILE 28 Ca -0.18 -0.44 -0.41 0.00 1.00 0.00 0.00 62.75 62.72 2e9i n ILE 28 Cb 0.56 -1.10 -0.06 0.00 -0.71 0.00 0.00 39.64 38.33 2e9i n ILE 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2e9i s ASP 30 N 1.51 6.98 -0.38 0.00 1.11 -1.26 -3.23 116.67 121.41 2e9i s ASP 30 Ca 0.28 2.05 -0.03 0.00 0.18 0.00 0.00 52.55 55.03 2e9i s ASP 30 Cb -0.15 -2.57 0.09 0.00 1.07 0.00 0.00 42.92 41.35 2e9i s ASP 30 CO 0.10 -0.57 0.15 -0.22 1.18 0.00 0.00 175.17 175.80 2e9i s LEU 31 N 1.57 4.84 -0.58 1.23 2.96 -0.42 -4.94 118.68 123.33 2e9i s LEU 31 Ca 0.60 -1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 52.49 2e9i s LEU 31 Cb -0.30 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2e9i s LEU 31 CO 0.27 -0.45 1.60 0.54 -1.32 0.00 0.00 176.35 176.99 2e9i s ASN 32 N 1.66 5.79 -0.26 3.68 4.22 -1.26 -1.19 114.94 127.57 2e9i s ASN 32 Ca 0.04 0.30 -0.09 0.00 -2.14 0.00 0.00 52.86 50.96 2e9i s ASN 32 Cb -0.22 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.73 2e9i s ASN 32 CO -0.03 -1.97 0.12 -0.76 -2.04 0.00 0.00 177.10 172.42 2e9i s LEU 33 N 7.20 3.73 -0.68 3.54 1.43 -0.16 -5.02 118.68 128.73 2e9i s LEU 33 Ca 0.58 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2e9i s LEU 33 Cb -0.12 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2e9i s LEU 33 CO 0.23 -0.03 1.38 -0.54 0.23 0.00 0.00 176.35 177.62 2e9i s LYS 34 N 1.59 3.15 -0.02 1.70 1.02 -1.26 -3.15 119.74 122.77 2e9i s LYS 34 Ca 0.06 0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.12 2e9i s LYS 34 Cb -0.15 -4.19 -0.01 0.00 -0.52 0.00 0.00 37.83 32.96 2e9i s LYS 34 CO 0.07 -2.16 -0.12 0.42 -0.92 0.00 0.00 175.35 172.63 2e9i s ILE 35 N 6.21 0.95 0.00 2.17 1.01 -1.25 -5.03 121.20 125.26 2e9i s ILE 35 Ca 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2e9i s ILE 35 Cb -0.09 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2e9i s ILE 35 CO 0.18 0.28 0.00 -0.81 0.00 0.00 0.00 174.94 174.59 2e9i n PRO 36 N 2.95 0.13 0.18 2.79 -0.04 -1.26 -3.38 135.00 136.37 2e9i n PRO 36 Ca -0.15 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2e9i n PRO 36 Cb 0.55 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.59 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 -4.28 0.54 4.39 -1.97 -3.41 114.58 109.86 2e9i h GLU 37 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2e9i h GLU 37 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2e9i h GLU 37 CO 0.00 0.00 1.12 -0.89 -1.16 0.00 0.00 179.01 178.08 2e9i n ILE 38 N -3.09 0.00 -0.69 3.13 5.41 -1.26 -4.82 119.36 118.05 2e9i n ILE 38 Ca 0.05 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.47 2e9i n ILE 38 Cb 0.75 -0.38 0.17 0.00 -0.71 0.00 0.00 39.64 39.46 2e9i n ILE 38 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2e9i n ASN 39 N 6.52 -2.29 -0.06 4.38 3.02 -1.26 -4.97 115.26 120.60 2e9i n ASN 39 Ca 0.45 -0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.76 2e9i n ASN 39 Cb -0.01 -1.01 -0.13 0.00 -0.61 0.00 0.00 39.78 38.01 2e9i n ASN 39 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2e9i n SER 40 N -1.75 2.05 -0.21 6.41 7.64 -1.26 -3.90 113.62 122.61 2e9i n SER 40 Ca 0.02 0.04 0.31 0.00 1.01 0.00 0.00 58.87 60.24 2e9i n SER 40 Cb 0.60 -0.64 0.70 0.00 -1.01 0.00 0.00 64.21 63.86 2e9i n SER 40 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2e9i h SER 41 N 0.04 0.00 0.67 6.43 0.02 -1.99 0.95 113.55 119.66 2e9i h SER 41 Ca -0.50 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.21 2e9i h SER 41 Cb 1.97 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.47 2e9i h SER 41 CO 0.00 0.00 -1.47 0.44 -1.14 0.00 0.00 176.83 174.66 2e9i h ASP 42 N 0.00 0.00 -4.51 3.07 3.32 -1.96 -3.47 116.42 112.87 2e9i h ASP 42 Ca 0.47 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 57.04 2e9i h ASP 42 Cb 2.13 0.00 0.09 0.00 0.22 0.00 0.00 39.33 41.77 2e9i h ASP 42 CO -0.00 0.88 0.40 -0.04 -1.72 0.00 0.00 179.24 178.76 2e9i s MET 43 N -2.71 2.38 -0.12 3.56 -1.94 0.33 -3.59 119.30 117.21 2e9i s MET 43 Ca -0.03 0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 54.23 2e9i s MET 43 Cb 0.08 -1.98 0.06 0.00 2.01 0.00 0.00 34.83 35.00 2e9i s MET 43 CO 0.82 -1.34 0.25 -1.54 -0.01 0.00 0.00 175.02 173.19 2e9i s SER 44 N -4.40 0.23 -0.23 3.03 1.04 -0.97 -4.95 113.70 107.45 2e9i s SER 44 Ca 0.60 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 2e9i s SER 44 Cb -0.11 0.60 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 2e9i s SER 44 CO 0.51 -0.22 -0.05 0.00 0.98 0.00 0.00 173.24 174.46 2e9i s ALA 45 N 2.13 2.78 -0.08 5.32 0.00 -1.26 -3.00 121.76 127.65 2e9i s ALA 45 Ca -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2e9i s ALA 45 Cb -0.12 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.35 2e9i s ALA 45 CO -0.08 -0.50 0.19 -1.01 0.00 0.00 0.00 175.76 174.36 2e9i s HIS 46 N 1.45 -0.24 -0.23 0.00 3.76 -1.15 -0.70 115.29 118.18 2e9i s HIS 46 Ca 0.05 0.63 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 2e9i s HIS 46 Cb -0.15 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.49 2e9i s HIS 46 CO -0.04 -0.20 0.44 0.08 -0.85 0.00 0.00 174.74 174.18 2e9i s VAL 47 N 1.17 5.14 -0.29 -0.90 1.01 -0.84 -0.84 120.40 124.87 2e9i s VAL 47 Ca -0.09 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 2e9i s VAL 47 Cb -0.11 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2e9i s VAL 47 CO -0.07 0.17 0.33 -0.89 0.00 0.00 0.00 175.10 174.64 2e9i s THR 48 N 1.79 5.20 0.64 3.92 2.01 -0.49 -1.05 115.64 127.67 2e9i s THR 48 Ca 0.19 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 2e9i s THR 48 Cb -0.15 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2e9i s THR 48 CO 0.09 0.13 1.10 -0.94 -0.69 0.00 0.00 174.62 174.31 2e9i s SER 49 N 1.69 5.31 0.00 3.53 1.04 0.20 -3.47 113.70 122.01 2e9i s SER 49 Ca 0.12 1.96 0.14 0.00 0.48 0.00 0.00 55.95 58.65 2e9i s SER 49 Cb -0.16 -2.55 0.82 0.00 0.10 0.00 0.00 66.02 64.23 2e9i s SER 49 CO 0.11 -1.49 1.24 -0.81 0.98 0.00 0.00 173.24 173.27 2e9i n PRO 50 N -2.27 0.49 -0.08 4.02 -0.04 -1.24 -2.25 135.00 133.63 2e9i n PRO 50 Ca 0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 2e9i n PRO 50 Cb 0.52 -1.44 -0.15 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 -0.94 0.23 0.00 3.54 3.41 -1.26 -4.99 113.62 113.61 2e9i n SER 51 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2e9i n SER 51 Cb 0.05 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 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 1.72 1.44 3.84 5.00 0.00 -0.95 -5.15 105.19 111.09 2e9i n GLY 52 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 3.02 -0.08 1.61 1.81 -1.25 -4.93 118.95 119.13 2e9i s ARG 53 Ca 0.00 -0.85 0.02 0.00 -1.72 0.00 0.00 55.73 53.18 2e9i s ARG 53 Cb 0.00 -2.70 0.01 0.00 -0.45 0.00 0.00 34.95 31.81 2e9i s ARG 53 CO 0.00 0.48 -0.13 0.08 -0.68 0.00 0.00 175.30 175.04 2e9i s VAL 54 N -1.82 1.25 0.35 3.52 1.01 -1.26 -0.63 120.40 122.83 2e9i s VAL 54 Ca 0.32 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2e9i s VAL 54 Cb -0.10 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 2e9i s VAL 54 CO 0.25 0.39 -0.02 -0.89 0.00 0.00 0.00 175.10 174.83 2e9i s THR 55 N 0.81 2.43 -0.06 3.92 2.01 -0.21 -4.96 115.64 119.58 2e9i s THR 55 Ca -0.11 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 59.89 2e9i s THR 55 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 2e9i s THR 55 CO 0.02 -0.17 -0.16 -0.70 -0.69 0.00 0.00 174.62 172.91 2e9i s GLU 56 N -3.69 2.57 0.24 4.92 2.12 -1.26 -1.98 118.70 121.62 2e9i s GLU 56 Ca 0.34 -0.73 0.11 0.00 0.36 0.00 0.00 54.97 55.06 2e9i s GLU 56 Cb 0.02 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 2e9i s GLU 56 CO 0.18 0.56 -0.19 0.00 -0.54 0.00 0.00 175.26 175.27 2e9i s ALA 57 N -0.56 2.73 0.28 6.30 0.00 0.13 -4.91 121.76 125.72 2e9i s ALA 57 Ca 0.08 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2e9i s ALA 57 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2e9i s ALA 57 CO 0.01 0.34 0.47 -2.00 0.00 0.00 0.00 175.76 174.58 2e9i s GLU 58 N -3.19 3.49 -0.33 0.00 2.56 -1.25 -4.57 118.70 115.42 2e9i s GLU 58 Ca 0.27 -0.41 0.03 0.00 0.00 0.00 0.00 54.97 54.85 2e9i s GLU 58 Cb -0.06 -2.76 0.10 0.00 2.00 0.00 0.00 34.13 33.41 2e9i s GLU 58 CO 0.14 0.28 0.06 0.42 -0.56 0.00 0.00 175.26 175.59 2e9i s ILE 59 N -2.11 1.90 -0.20 -3.70 1.01 -1.26 -3.26 121.20 113.58 2e9i s ILE 59 Ca 0.38 -2.07 -0.23 0.00 0.00 0.00 0.00 60.65 58.73 2e9i s ILE 59 Cb -0.10 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2e9i s ILE 59 CO 0.32 -0.60 0.74 -0.69 0.00 0.00 0.00 174.94 174.72 2e9i s VAL 60 N 1.10 4.93 -0.12 2.92 1.01 0.13 -4.89 120.40 125.48 2e9i s VAL 60 Ca 0.10 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 2e9i s VAL 60 Cb -0.19 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2e9i s VAL 60 CO -0.12 0.04 1.54 -2.16 0.00 0.00 0.00 175.10 174.39 2e9i s PRO 61 N 2.19 4.13 -0.54 2.72 0.04 -1.26 -1.36 135.00 140.92 2e9i s PRO 61 Ca 0.33 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2e9i s PRO 61 Cb -0.16 -3.93 0.43 0.00 0.04 0.00 0.00 34.50 30.88 2e9i s PRO 61 CO 0.11 -0.89 1.58 -1.33 0.04 0.00 0.00 177.00 176.51 2e9i n MET 62 N 7.08 3.15 0.00 4.56 2.81 -1.18 -4.96 117.12 128.57 2e9i n MET 62 Ca 0.17 -3.87 0.00 0.00 -1.81 0.00 0.00 57.70 52.19 2e9i n MET 62 Cb 0.44 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 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 -0.69 -0.87 3.81 3.03 0.00 -1.26 -4.61 105.19 104.60 2e9i n GLY 63 Ca 0.50 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2e9i n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9i s LYS 64 N 0.00 4.27 -0.49 1.61 2.20 -1.26 -3.78 119.74 122.29 2e9i s LYS 64 Ca 0.00 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2e9i s LYS 64 Cb 0.00 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2e9i s LYS 64 CO 0.00 0.29 0.00 -1.71 -0.36 0.00 0.00 175.35 173.57 2e9i n ASN 65 N 0.38 -1.89 -4.07 1.43 5.15 -1.26 -4.88 115.26 110.12 2e9i n ASN 65 Ca 0.00 0.27 -0.22 0.00 -0.60 0.00 0.00 54.58 54.04 2e9i n ASN 65 Cb 0.51 -1.83 -0.15 0.00 -0.53 0.00 0.00 39.78 37.78 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2e9i s SER 66 N -1.78 1.54 -0.13 1.20 0.01 -1.22 -3.91 113.70 109.40 2e9i s SER 66 Ca 0.00 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 2e9i s SER 66 Cb 0.00 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.00 2e9i s SER 66 CO 0.00 0.13 0.42 -1.00 0.41 0.00 0.00 173.24 173.20 2e9i s HIS 67 N -0.12 -0.43 -0.06 2.43 3.76 -1.19 -3.09 115.29 116.60 2e9i s HIS 67 Ca 0.02 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 2e9i s HIS 67 Cb -0.07 0.16 0.02 0.00 1.11 0.00 0.00 32.58 33.81 2e9i s HIS 67 CO 0.00 -0.27 -0.03 0.00 -0.85 0.00 0.00 174.74 173.59 2e9i s VAL 69 N 1.36 4.93 -0.27 0.00 1.01 -0.34 0.17 120.40 127.27 2e9i s VAL 69 Ca -0.04 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2e9i s VAL 69 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2e9i s VAL 69 CO -0.02 -0.41 0.45 0.00 0.00 0.00 0.00 175.10 175.12 2e9i s ARG 70 N 1.60 4.02 0.24 2.72 1.70 -1.20 -1.30 118.95 126.73 2e9i s ARG 70 Ca 0.04 0.18 -0.21 0.00 -0.47 0.00 0.00 55.73 55.26 2e9i s ARG 70 Cb -0.21 -3.66 0.03 0.00 -0.57 0.00 0.00 34.95 30.54 2e9i s ARG 70 CO 0.07 -0.33 0.66 -0.59 -1.08 0.00 0.00 175.30 174.03 2e9i s PHE 71 N 2.21 -0.24 -0.71 5.89 -0.71 -1.20 -3.97 117.98 119.25 2e9i s PHE 71 Ca 0.18 -0.15 -0.10 0.00 -1.04 0.00 0.00 56.93 55.83 2e9i s PHE 71 Cb -0.16 0.62 0.19 0.00 -1.21 0.00 0.00 43.02 42.46 2e9i s PHE 71 CO 0.10 -1.10 0.60 0.08 -1.34 0.00 0.00 175.22 173.56 2e9i s VAL 72 N -3.88 4.78 -1.09 -2.49 1.01 -1.26 0.51 120.40 117.98 2e9i s VAL 72 Ca 0.09 -2.57 -0.23 0.00 0.00 0.00 0.00 61.98 59.27 2e9i s VAL 72 Cb -0.04 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2e9i s VAL 72 CO 0.01 -0.95 1.94 -2.16 0.00 0.00 0.00 175.10 173.95 2e9i s PRO 73 N 0.22 2.51 -0.26 2.72 0.04 -1.26 -4.72 135.00 134.26 2e9i s PRO 73 Ca 0.16 -0.88 -0.01 0.00 0.04 0.00 0.00 61.00 60.31 2e9i s PRO 73 Cb -0.16 -5.18 0.04 0.00 0.04 0.00 0.00 34.50 29.24 2e9i s PRO 73 CO -0.06 -3.79 -0.06 1.14 0.04 0.00 0.00 177.00 174.27 2e9i s GLN 74 N 6.65 2.62 0.33 4.56 -2.07 -1.26 -3.91 119.66 126.59 2e9i s GLN 74 Ca 0.69 -1.12 0.04 0.00 -1.82 0.00 0.00 55.36 53.15 2e9i s GLN 74 Cb -0.03 -3.00 -0.01 0.00 -1.09 0.00 0.00 33.01 28.88 2e9i s GLN 74 CO 0.09 -0.48 0.37 0.39 -1.32 0.00 0.00 175.29 174.33 2e9i n GLU 75 N 4.61 0.53 -0.25 9.60 -0.58 -1.26 -4.99 120.64 128.30 2e9i n GLU 75 Ca -0.15 -3.06 0.12 0.00 -0.42 0.00 0.00 57.16 53.65 2e9i n GLU 75 Cb 0.45 2.68 0.26 0.00 -0.57 0.00 0.00 31.44 34.26 2e9i n GLU 75 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2e9i n MET 76 N -0.60 2.55 0.00 3.49 2.81 -1.26 -4.98 117.12 119.13 2e9i n MET 76 Ca 0.05 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 2e9i n MET 76 Cb 0.59 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 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 1.55 3.28 3.79 3.03 0.00 -1.26 -5.06 105.19 110.52 2e9i n GLY 77 Ca 0.21 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 0.62 4.45 -0.06 1.61 0.11 -1.26 -4.63 120.40 121.23 2e9i s VAL 78 Ca 0.00 1.55 -0.02 0.00 -2.93 0.00 0.00 61.98 60.58 2e9i s VAL 78 Cb 0.00 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2e9i s VAL 78 CO 0.00 0.43 0.06 -1.00 -3.33 0.00 0.00 175.10 171.26 2e9i s HIS 79 N -1.26 3.31 -0.10 1.54 0.09 -1.00 -3.70 115.29 114.17 2e9i s HIS 79 Ca 0.38 0.28 -0.01 0.00 -0.00 0.00 0.00 55.06 55.70 2e9i s HIS 79 Cb -0.21 -1.80 0.03 0.00 -0.00 0.00 0.00 32.58 30.60 2e9i s HIS 79 CO 0.24 0.56 -0.02 0.99 -0.00 0.00 0.00 174.74 176.51 2e9i s THR 80 N -1.04 0.64 -0.41 1.30 2.01 -1.23 -1.94 115.64 114.98 2e9i s THR 80 Ca 0.17 -0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 2e9i s THR 80 Cb -0.12 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.63 2e9i s THR 80 CO 0.07 0.25 0.74 -0.69 -0.69 0.00 0.00 174.62 174.30 2e9i s VAL 81 N 1.86 4.74 -0.67 3.82 1.01 -0.42 -1.40 120.40 129.34 2e9i s VAL 81 Ca 0.04 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2e9i s VAL 81 Cb -0.13 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.11 2e9i s VAL 81 CO -0.07 -0.55 0.88 -0.44 0.00 0.00 0.00 175.10 174.92 2e9i s SER 82 N 1.98 6.24 -0.27 3.32 0.01 -0.02 -1.13 113.70 123.83 2e9i s SER 82 Ca 0.28 -1.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.18 2e9i s SER 82 Cb -0.13 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2e9i s SER 82 CO 0.19 -1.26 0.03 -0.69 0.41 0.00 0.00 173.24 171.92 2e9i s VAL 83 N 3.32 3.68 0.10 3.43 1.01 -1.26 -2.95 120.40 127.73 2e9i s VAL 83 Ca 0.19 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2e9i s VAL 83 Cb -0.18 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2e9i s VAL 83 CO 0.06 0.17 -0.21 -0.54 0.00 0.00 0.00 175.10 174.58 2e9i s LYS 84 N 1.47 1.14 -0.22 2.72 1.02 -1.16 -2.83 119.74 121.88 2e9i s LYS 84 Ca 0.03 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 54.86 2e9i s LYS 84 Cb -0.17 -1.42 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 2e9i s LYS 84 CO 0.00 0.33 -0.12 -0.47 -0.92 0.00 0.00 175.35 174.17 2e9i s TYR 85 N -1.15 2.76 -1.30 3.18 5.04 0.48 -2.29 117.35 124.06 2e9i s TYR 85 Ca 0.07 -1.85 -0.01 0.00 -2.44 0.00 0.00 57.07 52.84 2e9i s TYR 85 Cb -0.10 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.43 2e9i s TYR 85 CO 0.04 -0.80 0.05 0.54 -1.34 0.00 0.00 175.55 174.04 2e9i n ARG 86 N 4.59 -2.23 -1.24 4.97 1.74 -1.24 -2.77 116.66 120.48 2e9i n ARG 86 Ca -0.15 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2e9i n ARG 86 Cb 0.45 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 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 -0.91 0.82 3.48 -0.13 0.00 -1.26 -5.10 105.19 102.08 2e9i n GLY 87 Ca -0.17 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.79 0.19 0.05 1.61 -2.07 -1.11 -5.13 119.66 110.40 2e9i s GLN 88 Ca 0.00 0.39 -0.30 0.00 -1.82 0.00 0.00 55.36 53.62 2e9i s GLN 88 Cb 0.00 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 31.98 2e9i s GLN 88 CO 0.00 -0.05 1.74 -1.01 -1.32 0.00 0.00 175.29 174.65 2e9i s HIS 89 N 1.70 2.08 1.28 9.60 3.76 -1.26 -0.38 115.29 132.07 2e9i s HIS 89 Ca -0.05 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 54.74 2e9i s HIS 89 Cb -0.03 -4.05 0.32 0.00 1.11 0.00 0.00 32.58 29.94 2e9i s HIS 89 CO -0.14 -4.37 1.00 1.33 -0.85 0.00 0.00 174.74 171.71 2e9i n VAL 90 N 5.01 0.00 -1.66 -0.90 0.24 -1.13 -4.80 118.33 115.09 2e9i n VAL 90 Ca 0.17 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 2e9i n VAL 90 Cb 0.41 -1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 31.60 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 -5.14 0.78 -2.69 3.34 -1.04 -1.26 -1.88 114.28 106.39 2e9i n THR 91 Ca 0.14 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2e9i n THR 91 Cb 0.58 -2.33 0.02 0.00 -1.82 0.00 0.00 70.33 66.78 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 4.56 0.32 3.29 3.41 0.00 -1.26 -5.05 105.19 110.46 2e9i n GLY 92 Ca 0.20 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.99 2.81 1.03 1.61 0.15 -0.79 -3.70 113.70 111.82 2e9i s SER 93 Ca 0.16 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.17 2e9i s SER 93 Cb -0.07 -0.27 0.20 0.00 -1.71 0.00 0.00 66.02 64.17 2e9i s SER 93 CO 0.19 0.24 1.09 -2.16 1.20 0.00 0.00 173.24 173.81 2e9i s PRO 94 N -0.94 0.19 -0.38 5.44 0.04 -1.26 -4.75 135.00 133.34 2e9i s PRO 94 Ca 0.09 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 2e9i s PRO 94 Cb -0.09 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2e9i s PRO 94 CO 0.01 -2.88 0.23 -0.06 0.04 0.00 0.00 177.00 174.34 2e9i s PHE 95 N -2.97 3.24 -0.15 0.56 0.08 -0.28 -4.93 117.98 113.52 2e9i s PHE 95 Ca 0.66 -0.79 -0.19 0.00 0.12 0.00 0.00 56.93 56.73 2e9i s PHE 95 Cb -0.18 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 2e9i s PHE 95 CO 0.58 -0.60 0.51 -1.14 -0.10 0.00 0.00 175.22 174.46 2e9i s GLN 96 N 1.60 4.28 -0.07 0.44 0.74 -1.26 -1.31 119.66 124.08 2e9i s GLN 96 Ca 0.03 0.46 -0.12 0.00 0.05 0.00 0.00 55.36 55.78 2e9i s GLN 96 Cb -0.19 -3.49 0.03 0.00 1.10 0.00 0.00 33.01 30.45 2e9i s GLN 96 CO 0.08 0.02 0.29 -0.59 -0.55 0.00 0.00 175.29 174.54 2e9i s PHE 97 N 1.09 -0.26 -0.24 1.67 -0.71 -0.82 -5.04 117.98 113.67 2e9i s PHE 97 Ca 0.26 0.57 -0.09 0.00 -1.04 0.00 0.00 56.93 56.62 2e9i s PHE 97 Cb -0.15 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2e9i s PHE 97 CO 0.10 -0.25 0.13 0.99 -1.34 0.00 0.00 175.22 174.85 2e9i s THR 98 N -0.44 4.97 0.40 -4.49 2.01 -1.26 -2.38 115.64 114.44 2e9i s THR 98 Ca -0.06 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 2e9i s THR 98 Cb -0.04 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 2e9i s THR 98 CO 0.02 0.34 0.71 -0.69 -0.69 0.00 0.00 174.62 174.31 2e9i s VAL 99 N 1.24 4.90 0.05 3.82 1.01 -1.26 -4.67 120.40 125.48 2e9i s VAL 99 Ca 0.06 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2e9i s VAL 99 Cb -0.14 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2e9i s VAL 99 CO 0.05 -0.58 -0.05 -0.83 0.00 0.00 0.00 175.10 173.69 2e9i s GLY 100 N -3.51 0.46 1.16 4.51 0.00 -1.06 -5.02 107.32 103.85 2e9i s GLY 100 Ca 0.47 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2e9i s GLY 100 CO 0.35 -0.97 1.11 2.56 0.00 0.00 0.00 173.10 176.15 2e9i s PRO 101 N -2.34 -0.87 -0.31 2.90 0.04 -1.26 -3.67 135.00 129.49 2e9i s PRO 101 Ca -0.05 0.06 -0.23 0.00 0.04 0.00 0.00 61.00 60.82 2e9i s PRO 101 Cb -0.04 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 2e9i s PRO 101 CO -0.03 -3.50 0.76 -1.17 0.04 0.00 0.00 177.00 173.10 2e9i s LEU 102 N -6.84 4.10 0.00 -3.56 0.20 -1.26 -4.80 118.68 106.52 2e9i s LEU 102 Ca 0.70 0.61 0.00 0.00 0.69 0.00 0.00 54.13 56.12 2e9i s LEU 102 Cb -0.12 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 2e9i s LEU 102 CO 0.56 -0.60 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 2e9i n GLY 103 N 4.25 0.90 3.41 7.98 0.00 -1.26 -4.98 105.19 115.49 2e9i n GLY 103 Ca 0.03 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2e9i n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e9i n GLU 104 N 0.00 0.85 -0.99 1.61 -0.58 -1.26 -5.15 120.64 115.11 2e9i n GLU 104 Ca 0.00 -3.45 -0.19 0.00 -0.42 0.00 0.00 57.16 53.11 2e9i n GLU 104 Cb 0.00 0.89 0.14 0.00 -0.57 0.00 0.00 31.44 31.90 2e9i n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2e9i n GLY 105 N -0.69 -1.84 0.40 0.62 0.00 -1.26 -4.96 105.19 97.45 2e9i n GLY 105 Ca -0.19 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93