#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 -0.40 0.31 1.61 0.15 -1.26 -5.18 113.70 108.93 2e9i s SER 2 Ca 0.00 0.61 0.10 0.00 0.70 0.00 0.00 55.95 57.36 2e9i s SER 2 Cb 0.00 1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 65.52 2e9i s SER 2 CO 0.00 -0.09 -0.05 -0.94 1.20 0.00 0.00 173.24 173.36 2e9i s SER 3 N 1.57 4.08 0.00 5.45 1.04 -1.26 -5.12 113.70 119.47 2e9i s SER 3 Ca -0.07 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.42 2e9i s SER 3 Cb -0.04 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2e9i s SER 3 CO -0.14 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2e9i n GLY 4 N -0.85 3.25 3.76 7.32 0.00 -1.26 -5.19 105.19 112.22 2e9i n GLY 4 Ca -0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -0.15 0.21 1.61 0.01 -1.26 -5.19 113.70 108.93 2e9i s SER 5 Ca 0.00 -0.78 -0.23 0.00 1.31 0.00 0.00 55.95 56.25 2e9i s SER 5 Cb 0.00 0.70 0.05 0.00 0.21 0.00 0.00 66.02 66.98 2e9i s SER 5 CO 0.00 -1.32 0.88 -0.44 0.41 0.00 0.00 173.24 172.78 2e9i s SER 6 N -2.97 -0.17 0.00 2.44 0.01 -1.26 -5.15 113.70 106.60 2e9i s SER 6 Ca 0.15 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2e9i s SER 6 Cb -0.04 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2e9i s SER 6 CO 0.08 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.23 2e9i n GLY 7 N -0.50 2.01 3.35 3.44 0.00 -1.26 -5.17 105.19 107.07 2e9i n GLY 7 Ca -0.05 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2e9i n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9i s ARG 8 N -3.15 1.02 -0.15 1.61 1.04 -1.26 -5.17 118.95 112.89 2e9i s ARG 8 Ca 0.00 -0.42 -0.11 0.00 -1.04 0.00 0.00 55.73 54.16 2e9i s ARG 8 Cb 0.00 0.46 0.04 0.00 -2.04 0.00 0.00 34.95 33.41 2e9i s ARG 8 CO 0.00 -0.38 0.37 0.08 -0.04 0.00 0.00 175.30 175.34 2e9i s VAL 9 N -2.90 -0.01 0.70 4.99 1.01 -1.26 -5.17 120.40 117.76 2e9i s VAL 9 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2e9i s VAL 9 Cb -0.00 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.93 2e9i s VAL 9 CO -0.05 0.02 0.99 -0.54 0.00 0.00 0.00 175.10 175.52 2e9i s LYS 10 N 0.71 1.98 -0.16 2.72 3.01 -1.26 -5.10 119.74 121.64 2e9i s LYS 10 Ca -0.04 -0.58 -0.04 0.00 -1.01 0.00 0.00 55.97 54.29 2e9i s LYS 10 Cb -0.05 -2.24 0.06 0.00 -1.01 0.00 0.00 37.83 34.59 2e9i s LYS 10 CO -0.05 -1.31 0.12 -1.21 0.51 0.00 0.00 175.35 173.42 2e9i s GLU 11 N -5.19 0.08 -0.02 1.68 0.41 -1.26 -5.14 118.70 109.25 2e9i s GLU 11 Ca 0.62 0.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.26 2e9i s GLU 11 Cb -0.09 -1.47 -0.04 0.00 -1.78 0.00 0.00 34.13 30.76 2e9i s GLU 11 CO 0.44 -0.61 0.00 0.45 -0.49 0.00 0.00 175.26 175.05 2e9i s SER 12 N 2.20 5.14 -0.22 -0.19 0.15 -1.26 -5.10 113.70 114.41 2e9i s SER 12 Ca 0.03 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 2e9i s SER 12 Cb -0.15 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 62.81 2e9i s SER 12 CO -0.09 0.30 -0.10 -0.63 1.20 0.00 0.00 173.24 173.92 2e9i s ILE 13 N -1.04 2.70 -0.31 6.45 1.01 -1.26 -5.09 121.20 123.66 2e9i s ILE 13 Ca 0.18 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 2e9i s ILE 13 Cb -0.11 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 2e9i s ILE 13 CO 0.09 0.34 0.07 0.42 0.00 0.00 0.00 174.94 175.86 2e9i s THR 14 N 1.34 3.70 -0.28 2.92 -4.23 -1.26 -5.00 115.64 112.83 2e9i s THR 14 Ca 0.02 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 2e9i s THR 14 Cb -0.15 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.80 2e9i s THR 14 CO -0.07 -0.06 1.08 -0.60 -0.54 0.00 0.00 174.62 174.43 2e9i s ARG 15 N 1.41 0.46 -0.09 3.99 6.06 -1.26 -5.17 118.95 124.35 2e9i s ARG 15 Ca -0.00 0.52 -0.02 0.00 -2.50 0.00 0.00 55.73 53.73 2e9i s ARG 15 Cb -0.19 0.22 -0.03 0.00 0.06 0.00 0.00 34.95 35.02 2e9i s ARG 15 CO 0.02 -0.06 -0.01 -0.08 -2.50 0.00 0.00 175.30 172.66 2e9i s THR 16 N 0.15 4.16 0.22 4.11 -1.32 -1.26 -5.07 115.64 116.62 2e9i s THR 16 Ca 0.03 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 60.07 2e9i s THR 16 Cb -0.05 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 2e9i s THR 16 CO -0.07 0.58 0.49 -0.44 -2.21 0.00 0.00 174.62 172.98 2e9i s SER 17 N -0.66 -0.16 0.28 8.08 0.01 -1.26 -5.19 113.70 114.80 2e9i s SER 17 Ca 0.10 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.69 2e9i s SER 17 Cb -0.12 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2e9i s SER 17 CO 0.02 -1.09 0.15 0.00 0.41 0.00 0.00 173.24 172.73 2e9i s ARG 18 N -3.94 1.50 -0.00 12.44 1.70 -1.26 -4.64 118.95 124.75 2e9i s ARG 18 Ca 0.15 -1.84 0.01 0.00 -0.47 0.00 0.00 55.73 53.58 2e9i s ARG 18 Cb -0.01 -0.01 -0.00 0.00 -0.57 0.00 0.00 34.95 34.36 2e9i s ARG 18 CO 0.03 -0.43 -0.05 0.00 -1.08 0.00 0.00 175.30 173.77 2e9i s ALA 19 N -3.73 0.39 -2.00 7.88 0.00 -1.26 -5.02 121.76 118.02 2e9i s ALA 19 Ca 0.37 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.21 2e9i s ALA 19 Cb 0.06 -0.09 0.67 0.00 0.00 0.00 0.00 23.12 23.76 2e9i s ALA 19 CO 0.17 0.08 1.10 -0.35 0.00 0.00 0.00 175.76 176.76 2e9i n PRO 20 N 2.87 0.49 -2.61 0.00 -0.04 -1.26 -4.61 135.00 129.82 2e9i n PRO 20 Ca -0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 2e9i n PRO 20 Cb 0.58 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 2e9i n PRO 20 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2e9i s SER 21 N -1.86 6.19 0.04 3.54 1.04 -1.26 -4.97 113.70 116.41 2e9i s SER 21 Ca 0.17 -0.63 -0.39 0.00 0.48 0.00 0.00 55.95 55.58 2e9i s SER 21 Cb 0.08 -2.53 -0.19 0.00 0.10 0.00 0.00 66.02 63.48 2e9i s SER 21 CO 0.13 -1.73 1.15 1.33 0.98 0.00 0.00 173.24 175.09 2e9i n VAL 22 N 6.31 0.06 -3.63 5.02 0.24 -1.26 -4.92 118.33 120.15 2e9i n VAL 22 Ca 0.04 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.34 61.93 2e9i n VAL 22 Cb 0.48 -0.28 -0.11 0.00 -1.47 0.00 0.00 33.84 32.46 2e9i n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e9i s ALA 23 N 0.13 3.27 -0.09 2.33 0.00 -1.26 -4.98 121.76 121.16 2e9i s ALA 23 Ca 0.88 -1.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2e9i s ALA 23 Cb -1.15 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2e9i s ALA 23 CO 0.54 -1.12 -0.00 0.99 0.00 0.00 0.00 175.76 176.16 2e9i s THR 24 N 1.58 4.26 -0.19 0.00 2.01 -1.26 -3.71 115.64 118.33 2e9i s THR 24 Ca 0.03 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 2e9i s THR 24 Cb -0.18 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 2e9i s THR 24 CO 0.06 0.59 0.54 0.54 -0.69 0.00 0.00 174.62 175.67 2e9i s VAL 25 N -0.74 5.09 0.00 3.82 0.11 -1.26 -3.91 120.40 123.50 2e9i s VAL 25 Ca 0.12 1.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 2e9i s VAL 25 Cb -0.12 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2e9i s VAL 25 CO 0.02 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 2e9i n GLY 26 N 3.83 0.52 2.91 6.54 0.00 -1.26 -5.00 105.19 112.73 2e9i n GLY 26 Ca -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.82 -0.05 -0.60 1.61 0.01 -1.25 -5.08 113.70 105.51 2e9i s SER 27 Ca 0.00 0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.13 2e9i s SER 27 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2e9i s SER 27 CO 0.00 -0.05 2.06 -0.63 0.41 0.00 0.00 173.24 175.03 2e9i s ILE 28 N 0.30 3.24 -0.28 1.44 1.01 -1.26 -4.42 121.20 121.23 2e9i s ILE 28 Ca -0.02 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 2e9i s ILE 28 Cb -0.03 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2e9i s ILE 28 CO -0.01 -0.60 0.39 0.00 0.00 0.00 0.00 174.94 174.72 2e9i s ASP 30 N 1.64 6.89 -0.51 0.00 -4.77 -1.26 -3.34 116.67 115.32 2e9i s ASP 30 Ca 0.15 1.97 -0.13 0.00 -3.30 0.00 0.00 52.55 51.24 2e9i s ASP 30 Cb -0.16 -2.55 0.12 0.00 -1.09 0.00 0.00 42.92 39.24 2e9i s ASP 30 CO 0.10 -0.72 0.43 -0.22 0.70 0.00 0.00 175.17 175.46 2e9i s LEU 31 N 2.76 5.93 -0.03 2.11 2.96 0.60 -4.94 118.68 128.08 2e9i s LEU 31 Ca 0.61 -1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 52.46 2e9i s LEU 31 Cb -0.28 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2e9i s LEU 31 CO 0.23 -0.77 0.99 0.21 -1.32 0.00 0.00 176.35 175.69 2e9i s ASN 32 N 3.14 7.33 -0.06 3.68 2.47 -1.26 -1.74 114.94 128.49 2e9i s ASN 32 Ca 0.04 1.62 0.00 0.00 0.42 0.00 0.00 52.86 54.95 2e9i s ASN 32 Cb -0.28 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 36.98 2e9i s ASN 32 CO 0.02 -0.32 -0.04 -0.76 -3.72 0.00 0.00 177.10 172.27 2e9i s LEU 33 N 1.33 1.17 -1.30 3.21 1.43 -1.12 -5.03 118.68 118.38 2e9i s LEU 33 Ca 0.51 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 2e9i s LEU 33 Cb -0.20 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.51 2e9i s LEU 33 CO 0.25 -0.09 1.99 0.29 0.23 0.00 0.00 176.35 179.03 2e9i n LYS 34 N 4.38 2.71 -3.40 1.70 5.02 -1.26 -3.80 118.16 123.50 2e9i n LYS 34 Ca -0.19 -2.74 -0.38 0.00 -2.02 0.00 0.00 58.31 52.97 2e9i n LYS 34 Cb 0.51 -3.36 -0.06 0.00 -0.02 0.00 0.00 35.03 32.10 2e9i n LYS 34 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2e9i s ILE 35 N 4.46 4.96 0.00 -0.18 1.01 -1.26 -5.08 121.20 125.12 2e9i s ILE 35 Ca 0.53 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2e9i s ILE 35 Cb 0.09 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2e9i s ILE 35 CO 0.01 0.54 0.00 -0.81 0.00 0.00 0.00 174.94 174.68 2e9i n PRO 36 N 2.06 0.15 -0.35 2.79 -0.04 -1.26 -4.03 135.00 134.31 2e9i n PRO 36 Ca -0.12 0.00 0.37 0.00 -0.04 0.00 0.00 63.50 63.71 2e9i n PRO 36 Cb 0.52 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.66 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 -4.43 0.54 5.08 -1.97 -3.41 114.58 110.39 2e9i h GLU 37 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2e9i h GLU 37 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 2e9i h GLU 37 CO 0.00 0.00 -0.09 -0.89 -1.00 0.00 0.00 179.01 177.03 2e9i n ILE 38 N -3.75 0.45 -3.78 3.13 5.41 -1.26 -4.87 119.36 114.69 2e9i n ILE 38 Ca 0.28 -0.11 -0.27 0.00 1.00 0.00 0.00 62.75 63.65 2e9i n ILE 38 Cb 1.48 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 40.38 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 -0.22 6.37 0.14 4.38 -0.87 -1.26 -4.93 114.94 118.55 2e9i s ASN 39 Ca 0.61 0.32 -0.11 0.00 -1.57 0.00 0.00 52.86 52.11 2e9i s ASN 39 Cb -0.86 -1.98 -0.04 0.00 -0.02 0.00 0.00 41.25 38.35 2e9i s ASN 39 CO 0.42 -0.01 1.48 0.77 -2.57 0.00 0.00 177.10 177.19 2e9i h SER 40 N 2.05 0.98 -0.77 -1.22 4.64 -1.91 -2.67 113.55 114.66 2e9i h SER 40 Ca -0.48 -0.46 0.22 0.00 -0.47 0.00 0.00 61.79 60.60 2e9i h SER 40 Cb 1.19 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2e9i h SER 40 CO 0.68 1.24 0.87 0.77 -0.87 0.00 0.00 176.83 179.52 2e9i h SER 41 N 0.75 0.00 0.06 4.97 4.64 -1.98 0.35 113.55 122.34 2e9i h SER 41 Ca 0.07 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.01 2e9i h SER 41 Cb 0.95 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.98 2e9i h SER 41 CO 0.09 0.00 -2.31 0.47 -0.87 0.00 0.00 176.83 174.21 2e9i n ASP 42 N -3.47 1.49 -4.63 4.97 9.92 -1.11 -4.98 116.55 118.75 2e9i n ASP 42 Ca 0.16 -0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.13 2e9i n ASP 42 Cb 1.12 -0.16 0.15 0.00 -0.64 0.00 0.00 41.12 41.59 2e9i n ASP 42 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2e9i s MET 43 N -2.53 0.95 -0.18 -1.24 -1.94 0.12 -3.84 119.30 110.65 2e9i s MET 43 Ca -0.25 0.15 -0.07 0.00 -1.71 0.00 0.00 55.69 53.81 2e9i s MET 43 Cb 0.08 -1.83 0.08 0.00 2.01 0.00 0.00 34.83 35.17 2e9i s MET 43 CO 0.70 -2.30 0.39 -1.12 -0.01 0.00 0.00 175.02 172.67 2e9i s SER 44 N -4.18 -0.22 -0.10 3.03 0.01 -1.03 -4.89 113.70 106.32 2e9i s SER 44 Ca 0.65 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.82 2e9i s SER 44 Cb -0.13 1.08 -0.01 0.00 0.21 0.00 0.00 66.02 67.17 2e9i s SER 44 CO 0.53 -0.22 -0.16 0.00 0.41 0.00 0.00 173.24 173.80 2e9i s ALA 45 N 2.25 2.52 -0.12 1.44 0.00 -1.26 -2.71 121.76 123.88 2e9i s ALA 45 Ca -0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 2e9i s ALA 45 Cb -0.11 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.00 2e9i s ALA 45 CO -0.12 0.33 0.50 -1.01 0.00 0.00 0.00 175.76 175.46 2e9i s HIS 46 N 0.08 -0.49 -0.26 0.00 3.76 -1.13 -2.68 115.29 114.57 2e9i s HIS 46 Ca -0.07 1.05 -0.08 0.00 -0.15 0.00 0.00 55.06 55.81 2e9i s HIS 46 Cb -0.15 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.73 2e9i s HIS 46 CO 0.05 -0.38 0.10 0.08 -0.85 0.00 0.00 174.74 173.74 2e9i s VAL 47 N -0.44 4.46 0.01 -0.90 1.01 -0.99 0.88 120.40 124.43 2e9i s VAL 47 Ca -0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 2e9i s VAL 47 Cb -0.03 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 2e9i s VAL 47 CO 0.04 0.28 0.47 -0.89 0.00 0.00 0.00 175.10 174.99 2e9i s THR 48 N 1.63 4.95 0.35 3.92 2.01 0.11 -0.49 115.64 128.12 2e9i s THR 48 Ca 0.06 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 62.93 2e9i s THR 48 Cb -0.16 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 2e9i s THR 48 CO 0.05 0.55 0.69 -0.94 -0.69 0.00 0.00 174.62 174.28 2e9i s SER 49 N -0.95 6.55 0.00 3.53 1.04 0.10 -2.88 113.70 121.09 2e9i s SER 49 Ca 0.26 1.04 0.14 0.00 0.48 0.00 0.00 55.95 57.87 2e9i s SER 49 Cb -0.17 -2.28 0.85 0.00 0.10 0.00 0.00 66.02 64.51 2e9i s SER 49 CO 0.15 -0.29 1.27 -0.81 0.98 0.00 0.00 173.24 174.53 2e9i n PRO 50 N -0.97 0.49 -0.10 4.02 -0.04 -1.22 -2.93 135.00 134.25 2e9i n PRO 50 Ca 0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 2e9i n PRO 50 Cb 0.54 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.96 2.01 0.00 3.54 3.41 -1.26 -4.97 113.62 115.39 2e9i n SER 51 Ca 0.11 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2e9i n SER 51 Cb 0.05 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 2.19 0.44 3.76 5.00 0.00 -1.15 -5.14 105.19 110.29 2e9i n GLY 52 Ca -0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 4.55 -0.02 1.61 3.00 -1.26 -4.77 118.95 122.06 2e9i s ARG 53 Ca 0.00 1.83 0.08 0.00 0.00 0.00 0.00 55.73 57.64 2e9i s ARG 53 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 34.95 31.83 2e9i s ARG 53 CO 0.00 0.12 -0.25 0.08 0.00 0.00 0.00 175.30 175.25 2e9i s VAL 54 N -1.21 2.01 0.36 3.52 1.01 -1.26 0.01 120.40 124.84 2e9i s VAL 54 Ca 0.46 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2e9i s VAL 54 Cb -0.32 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2e9i s VAL 54 CO 0.41 0.57 0.22 0.42 0.00 0.00 0.00 175.10 176.72 2e9i s THR 55 N -0.59 2.95 0.05 3.92 -4.23 0.36 -4.99 115.64 113.11 2e9i s THR 55 Ca 0.10 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2e9i s THR 55 Cb -0.10 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 2e9i s THR 55 CO -0.01 -0.12 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.23 2e9i s GLU 56 N -3.93 2.57 0.32 3.99 2.56 -1.26 -2.34 118.70 120.62 2e9i s GLU 56 Ca 0.41 -0.77 0.10 0.00 0.00 0.00 0.00 54.97 54.71 2e9i s GLU 56 Cb -0.02 -2.55 -0.06 0.00 2.00 0.00 0.00 34.13 33.50 2e9i s GLU 56 CO 0.24 0.57 -0.12 0.00 -0.56 0.00 0.00 175.26 175.40 2e9i s ALA 57 N -1.18 2.92 -0.08 6.30 0.00 -1.09 -4.86 121.76 123.76 2e9i s ALA 57 Ca 0.22 -2.01 0.04 0.00 0.00 0.00 0.00 51.96 50.21 2e9i s ALA 57 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2e9i s ALA 57 CO 0.14 0.14 -0.19 -2.00 0.00 0.00 0.00 175.76 173.85 2e9i s GLU 58 N -3.59 2.77 -0.38 0.00 2.12 -1.26 -4.80 118.70 113.56 2e9i s GLU 58 Ca 0.32 -0.79 -0.14 0.00 0.36 0.00 0.00 54.97 54.72 2e9i s GLU 58 Cb -0.00 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 32.04 2e9i s GLU 58 CO 0.16 0.40 0.29 0.42 -0.54 0.00 0.00 175.26 176.00 2e9i s ILE 59 N -0.18 5.25 -0.25 -3.70 1.01 -1.26 -3.14 121.20 118.92 2e9i s ILE 59 Ca -0.02 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2e9i s ILE 59 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2e9i s ILE 59 CO 0.03 -0.21 0.36 -0.69 0.00 0.00 0.00 174.94 174.44 2e9i s VAL 60 N 1.74 5.19 -0.25 2.92 1.01 -0.01 -4.91 120.40 126.10 2e9i s VAL 60 Ca 0.06 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 2e9i s VAL 60 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2e9i s VAL 60 CO 0.11 0.19 1.63 -2.16 0.00 0.00 0.00 175.10 174.87 2e9i s PRO 61 N 1.85 3.70 -0.56 2.72 0.04 -1.26 -1.29 135.00 140.20 2e9i s PRO 61 Ca 0.15 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2e9i s PRO 61 Cb -0.15 -4.06 0.43 0.00 0.04 0.00 0.00 34.50 30.76 2e9i s PRO 61 CO 0.09 -1.41 1.67 -1.33 0.04 0.00 0.00 177.00 176.06 2e9i n MET 62 N 7.82 3.07 0.00 4.56 2.81 -0.76 -4.98 117.12 129.63 2e9i n MET 62 Ca 0.19 -3.74 0.00 0.00 -1.81 0.00 0.00 57.70 52.35 2e9i n MET 62 Cb 0.46 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 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 -0.75 -1.09 3.77 3.03 0.00 -1.26 -4.67 105.19 104.23 2e9i n GLY 63 Ca 0.53 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 4.56 -0.85 1.61 2.20 -1.26 -3.57 119.74 122.43 2e9i s LYS 64 Ca 0.00 1.51 -0.11 0.00 -0.36 0.00 0.00 55.97 57.01 2e9i s LYS 64 Cb 0.00 -2.93 0.11 0.00 -1.51 0.00 0.00 37.83 33.50 2e9i s LYS 64 CO 0.00 0.22 0.27 0.09 -0.36 0.00 0.00 175.35 175.57 2e9i n ASN 65 N 0.76 -1.37 -3.84 1.43 3.02 -1.26 -4.87 115.26 109.12 2e9i n ASN 65 Ca 0.01 -0.29 -0.25 0.00 -0.03 0.00 0.00 54.58 54.03 2e9i n ASN 65 Cb 0.48 -1.27 -0.17 0.00 -0.61 0.00 0.00 39.78 38.21 2e9i n ASN 65 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2e9i s SER 66 N -2.56 1.87 0.00 6.41 0.01 -1.23 -3.99 113.70 114.21 2e9i s SER 66 Ca 0.38 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.48 2e9i s SER 66 Cb -0.22 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.36 2e9i s SER 66 CO 0.46 -0.16 -0.12 -1.00 0.41 0.00 0.00 173.24 172.84 2e9i s HIS 67 N 1.83 1.09 -0.20 2.43 3.76 -1.25 -1.83 115.29 121.12 2e9i s HIS 67 Ca 0.05 -0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 2e9i s HIS 67 Cb -0.12 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 32.94 2e9i s HIS 67 CO -0.07 -0.01 0.01 0.00 -0.85 0.00 0.00 174.74 173.82 2e9i s VAL 69 N 1.75 5.07 -0.21 0.00 1.01 -0.71 -0.83 120.40 126.48 2e9i s VAL 69 Ca -0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2e9i s VAL 69 Cb -0.17 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2e9i s VAL 69 CO -0.07 -0.51 0.08 0.00 0.00 0.00 0.00 175.10 174.60 2e9i s ARG 70 N 2.17 3.92 0.23 2.72 1.70 -1.19 -0.29 118.95 128.22 2e9i s ARG 70 Ca 0.12 -0.36 -0.18 0.00 -0.47 0.00 0.00 55.73 54.83 2e9i s ARG 70 Cb -0.18 -3.30 0.02 0.00 -0.57 0.00 0.00 34.95 30.92 2e9i s ARG 70 CO 0.13 0.13 0.59 -0.59 -1.08 0.00 0.00 175.30 174.48 2e9i s PHE 71 N 0.79 -0.08 -0.71 5.89 -0.71 -1.21 -4.18 117.98 117.76 2e9i s PHE 71 Ca 0.04 -0.30 -0.10 0.00 -1.04 0.00 0.00 56.93 55.54 2e9i s PHE 71 Cb -0.13 0.48 0.19 0.00 -1.21 0.00 0.00 43.02 42.35 2e9i s PHE 71 CO 0.02 -1.05 0.60 0.08 -1.34 0.00 0.00 175.22 173.54 2e9i s VAL 72 N -3.91 4.80 -0.96 -2.49 1.01 -1.26 -1.65 120.40 115.94 2e9i s VAL 72 Ca 0.12 -2.54 -0.24 0.00 0.00 0.00 0.00 61.98 59.32 2e9i s VAL 72 Cb -0.03 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2e9i s VAL 72 CO 0.02 -0.95 1.94 -2.16 0.00 0.00 0.00 175.10 173.96 2e9i s PRO 73 N 0.26 2.54 -0.24 2.72 0.04 -1.26 -4.80 135.00 134.25 2e9i s PRO 73 Ca 0.16 -0.47 0.02 0.00 0.04 0.00 0.00 61.00 60.75 2e9i s PRO 73 Cb -0.16 -5.10 0.05 0.00 0.04 0.00 0.00 34.50 29.33 2e9i s PRO 73 CO -0.06 -3.51 -0.13 1.14 0.04 0.00 0.00 177.00 174.49 2e9i s GLN 74 N 6.90 2.48 0.30 4.56 -2.07 -1.26 -4.31 119.66 126.26 2e9i s GLN 74 Ca 0.70 -1.18 0.07 0.00 -1.82 0.00 0.00 55.36 53.12 2e9i s GLN 74 Cb -0.05 -2.81 -0.03 0.00 -1.09 0.00 0.00 33.01 29.03 2e9i s GLN 74 CO 0.02 -0.46 0.26 0.39 -1.32 0.00 0.00 175.29 174.18 2e9i n GLU 75 N 4.50 0.37 0.00 9.60 4.71 -1.26 -5.05 120.64 133.51 2e9i n GLU 75 Ca -0.16 -2.99 0.11 0.00 -0.01 0.00 0.00 57.16 54.10 2e9i n GLU 75 Cb 0.45 2.46 0.05 0.00 -1.01 0.00 0.00 31.44 33.39 2e9i n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2e9i n MET 76 N -0.57 1.77 0.00 3.49 0.00 -1.26 -4.99 117.12 115.56 2e9i n MET 76 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 57.70 56.30 2e9i n MET 76 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.34 2e9i n MET 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2e9i n GLY 77 N 1.28 3.25 3.83 3.17 0.00 -1.26 -5.09 105.19 110.37 2e9i n GLY 77 Ca 0.11 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.31 4.57 0.00 1.61 0.11 -1.26 -4.74 120.40 123.00 2e9i s VAL 78 Ca 0.00 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.24 2e9i s VAL 78 Cb 0.00 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2e9i s VAL 78 CO 0.00 -0.15 -0.03 -1.00 -3.33 0.00 0.00 175.10 170.59 2e9i s HIS 79 N -1.96 2.99 0.00 1.54 0.09 -1.23 -3.44 115.29 113.28 2e9i s HIS 79 Ca 0.55 0.03 0.01 0.00 -0.00 0.00 0.00 55.06 55.64 2e9i s HIS 79 Cb -0.11 -1.64 -0.00 0.00 -0.00 0.00 0.00 32.58 30.82 2e9i s HIS 79 CO 0.17 0.42 -0.02 0.99 -0.00 0.00 0.00 174.74 176.30 2e9i s THR 80 N -1.05 0.16 -0.34 1.30 2.01 -1.14 -2.73 115.64 113.86 2e9i s THR 80 Ca 0.18 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2e9i s THR 80 Cb -0.11 -0.17 0.08 0.00 0.01 0.00 0.00 72.50 72.31 2e9i s THR 80 CO 0.09 -0.03 0.06 -0.69 -0.69 0.00 0.00 174.62 173.37 2e9i s VAL 81 N -0.23 2.79 -0.93 3.82 1.01 0.64 0.08 120.40 127.58 2e9i s VAL 81 Ca -0.01 -1.88 -0.24 0.00 0.00 0.00 0.00 61.98 59.85 2e9i s VAL 81 Cb -0.02 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2e9i s VAL 81 CO -0.00 -0.41 1.37 -0.44 0.00 0.00 0.00 175.10 175.62 2e9i s SER 82 N 1.32 6.41 -0.42 3.32 0.01 0.25 -2.00 113.70 122.60 2e9i s SER 82 Ca 0.03 -1.21 -0.07 0.00 1.31 0.00 0.00 55.95 56.01 2e9i s SER 82 Cb -0.21 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.57 2e9i s SER 82 CO -0.04 -1.57 0.24 -0.69 0.41 0.00 0.00 173.24 171.59 2e9i s VAL 83 N 5.00 3.81 0.08 3.43 1.01 -1.26 -2.83 120.40 129.65 2e9i s VAL 83 Ca 0.42 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.78 2e9i s VAL 83 Cb -0.03 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2e9i s VAL 83 CO -0.03 -0.59 -0.14 -0.54 0.00 0.00 0.00 175.10 173.81 2e9i s LYS 84 N 1.31 2.06 -0.39 2.72 1.02 -1.10 -1.89 119.74 123.47 2e9i s LYS 84 Ca 0.04 -1.03 -0.03 0.00 0.02 0.00 0.00 55.97 54.98 2e9i s LYS 84 Cb -0.23 -2.25 0.10 0.00 -0.52 0.00 0.00 37.83 34.93 2e9i s LYS 84 CO -0.01 0.52 0.17 -0.47 -0.92 0.00 0.00 175.35 174.64 2e9i s TYR 85 N -1.11 3.54 -1.84 3.18 5.04 0.27 -2.48 117.35 123.95 2e9i s TYR 85 Ca 0.19 -2.34 0.00 0.00 -2.44 0.00 0.00 57.07 52.48 2e9i s TYR 85 Cb -0.11 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 39.16 2e9i s TYR 85 CO 0.10 -0.94 0.00 0.54 -1.34 0.00 0.00 175.55 173.91 2e9i n ARG 86 N 4.59 -1.58 -0.58 4.97 1.74 -1.25 -2.09 116.66 122.47 2e9i n ARG 86 Ca -0.04 1.04 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 2e9i n ARG 86 Cb 0.42 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -0.89 1.36 2.67 -0.13 0.00 -1.26 -5.08 105.19 101.87 2e9i n GLY 87 Ca -0.23 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.71 0.17 0.13 1.61 -1.52 -0.89 -5.12 119.66 112.33 2e9i s GLN 88 Ca 0.00 -0.04 -0.34 0.00 -1.95 0.00 0.00 55.36 53.03 2e9i s GLN 88 Cb 0.00 -1.33 -0.17 0.00 -0.22 0.00 0.00 33.01 31.29 2e9i s GLN 88 CO 0.00 -0.76 1.05 0.72 -0.25 0.00 0.00 175.29 176.05 2e9i n HIS 89 N 5.30 0.87 -1.61 0.91 8.25 -1.26 -0.57 115.22 127.10 2e9i n HIS 89 Ca -0.06 0.82 -0.18 0.00 -0.26 0.00 0.00 57.72 58.04 2e9i n HIS 89 Cb 0.48 -2.19 0.12 0.00 1.12 0.00 0.00 29.99 29.53 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 1.32 0.00 -1.56 1.59 0.24 -0.79 -4.80 118.33 114.33 2e9i n VAL 90 Ca 0.17 -0.62 -0.46 0.00 -2.04 0.00 0.00 64.34 61.39 2e9i n VAL 90 Cb 0.20 -1.67 -0.02 0.00 -1.47 0.00 0.00 33.84 30.88 2e9i n VAL 90 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2e9i n THR 91 N -3.10 1.81 -4.14 3.34 5.66 -1.26 -1.26 114.28 115.32 2e9i n THR 91 Ca 0.10 -0.45 -0.34 0.00 -3.05 0.00 0.00 64.05 60.31 2e9i n THR 91 Cb 0.36 -0.84 -0.08 0.00 -1.55 0.00 0.00 70.33 68.23 2e9i n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2e9i n GLY 92 N 1.46 -0.27 3.49 1.09 0.00 -1.26 -4.90 105.19 104.80 2e9i n GLY 92 Ca 0.12 0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.36 4.05 0.88 1.61 0.15 -0.39 -3.45 113.70 113.19 2e9i s SER 93 Ca 0.51 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.77 2e9i s SER 93 Cb -0.29 -0.80 0.12 0.00 -1.71 0.00 0.00 66.02 63.34 2e9i s SER 93 CO 0.89 0.30 1.09 -2.16 1.20 0.00 0.00 173.24 174.56 2e9i s PRO 94 N -1.14 1.38 0.02 5.44 0.04 -1.26 -4.71 135.00 134.77 2e9i s PRO 94 Ca 0.14 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 2e9i s PRO 94 Cb -0.11 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2e9i s PRO 94 CO 0.04 -2.17 0.17 -0.06 0.04 0.00 0.00 177.00 175.02 2e9i s PHE 95 N -2.93 3.49 0.01 0.56 0.08 -0.85 -4.90 117.98 113.44 2e9i s PHE 95 Ca 0.63 0.29 0.05 0.00 0.12 0.00 0.00 56.93 58.02 2e9i s PHE 95 Cb -0.18 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2e9i s PHE 95 CO 0.57 0.61 -0.16 -0.65 -0.10 0.00 0.00 175.22 175.49 2e9i s GLN 96 N -2.10 1.19 -0.21 0.44 -0.21 -1.26 -0.26 119.66 117.25 2e9i s GLN 96 Ca 0.29 -0.65 -0.14 0.00 0.02 0.00 0.00 55.36 54.88 2e9i s GLN 96 Cb -0.13 -1.18 0.06 0.00 1.00 0.00 0.00 33.01 32.76 2e9i s GLN 96 CO 0.21 0.31 0.52 -0.59 -2.12 0.00 0.00 175.29 173.62 2e9i s PHE 97 N -0.53 -0.71 -0.17 0.91 -0.12 -1.11 -4.68 117.98 111.58 2e9i s PHE 97 Ca 0.05 1.53 -0.22 0.00 -0.05 0.00 0.00 56.93 58.24 2e9i s PHE 97 Cb -0.07 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 2e9i s PHE 97 CO 0.00 -0.37 0.69 0.99 -0.05 0.00 0.00 175.22 176.48 2e9i s THR 98 N 1.08 5.00 0.37 -4.49 2.01 -1.26 -3.51 115.64 114.84 2e9i s THR 98 Ca -0.06 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2e9i s THR 98 Cb -0.06 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2e9i s THR 98 CO -0.10 0.12 0.55 -0.69 -0.69 0.00 0.00 174.62 173.81 2e9i s VAL 99 N 1.75 4.37 -0.03 3.82 1.01 -1.26 -4.76 120.40 125.30 2e9i s VAL 99 Ca 0.32 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2e9i s VAL 99 Cb -0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2e9i s VAL 99 CO 0.12 -0.33 0.17 -0.83 0.00 0.00 0.00 175.10 174.24 2e9i s GLY 100 N -4.14 2.17 0.20 4.51 0.00 -1.24 -5.02 107.32 103.79 2e9i s GLY 100 Ca 0.44 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 2e9i s GLY 100 CO 0.35 -0.61 0.18 -1.55 0.00 0.00 0.00 173.10 171.46 2e9i n PRO 101 N 1.12 -1.37 -3.98 2.90 -0.04 -1.26 -4.09 135.00 128.28 2e9i n PRO 101 Ca -0.12 -0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 62.71 2e9i n PRO 101 Cb 0.53 -0.27 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 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 4.20 -0.62 1.53 0.05 -1.26 -4.91 118.68 117.66 2e9i s LEU 102 Ca 0.12 0.32 -0.14 0.00 0.05 0.00 0.00 54.13 54.48 2e9i s LEU 102 Cb -0.01 -2.28 0.16 0.00 -2.05 0.00 0.00 46.19 42.01 2e9i s LEU 102 CO 0.09 0.32 0.56 -0.83 -0.55 0.00 0.00 176.35 175.95 2e9i s GLY 103 N -1.49 2.28 -0.15 -3.48 0.00 -1.26 -5.03 107.32 98.18 2e9i s GLY 103 Ca 0.21 -2.81 -0.38 0.00 0.00 0.00 0.00 44.72 41.73 2e9i s GLY 103 CO 0.11 1.20 1.66 -2.21 0.00 0.00 0.00 173.10 173.87 2e9i n GLU 104 N 4.74 1.33 0.00 2.90 4.07 -1.26 -4.92 120.64 127.50 2e9i n GLU 104 Ca -0.04 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 2e9i n GLU 104 Cb 0.42 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 2e9i n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9i n GLY 105 N 3.81 1.20 3.84 8.31 0.00 -1.26 -5.35 105.19 115.74 2e9i n GLY 105 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2e9i n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93