#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4c n SER 2 N 0.00 -1.45 -3.69 1.61 2.88 -1.26 -5.15 113.62 106.56 1x4c n SER 2 Ca 0.00 -2.00 -0.12 0.00 -1.33 0.00 0.00 58.87 55.42 1x4c n SER 2 Cb 0.00 0.96 -0.09 0.00 -0.75 0.00 0.00 64.21 64.33 1x4c n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4c s SER 3 N -0.41 -0.59 0.16 -3.46 0.15 -1.26 -5.17 113.70 103.13 1x4c s SER 3 Ca 0.25 1.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.93 1x4c s SER 3 Cb 0.23 1.04 0.01 0.00 -1.71 0.00 0.00 66.02 65.59 1x4c s SER 3 CO -0.13 -0.19 0.27 0.61 1.20 0.00 0.00 173.24 175.01 1x4c n GLY 4 N 3.32 2.13 5.00 9.45 0.00 -1.26 -4.97 105.19 118.87 1x4c n GLY 4 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1x4c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4c n SER 5 N -1.57 0.00 -1.88 1.61 2.88 -1.26 -4.76 113.62 108.64 1x4c n SER 5 Ca -0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 1x4c n SER 5 Cb 0.25 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.70 1x4c n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4c n SER 6 N 3.38 -4.72 0.00 -3.46 2.88 -1.26 -4.92 113.62 105.51 1x4c n SER 6 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1x4c n SER 6 Cb 0.00 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 1x4c n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4c n GLY 7 N 1.03 -0.70 0.00 0.46 0.00 -1.26 -5.03 105.19 99.69 1x4c n GLY 7 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1x4c n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4c n GLY 8 N 0.00 0.71 3.77 -0.02 0.00 -1.26 -5.13 105.19 103.27 1x4c n GLY 8 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1x4c n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4c s PRO 9 N 0.00 3.50 0.00 1.61 0.04 -1.26 -4.91 135.00 133.99 1x4c s PRO 9 Ca 0.00 1.67 0.14 0.00 0.04 0.00 0.00 61.00 62.85 1x4c s PRO 9 Cb 0.00 -2.15 0.82 0.00 0.04 0.00 0.00 34.50 33.21 1x4c s PRO 9 CO 0.00 -0.74 1.25 -0.35 0.04 0.00 0.00 177.00 177.20 1x4c n PRO 10 N -1.00 0.49 -1.14 0.56 -0.04 -1.26 -4.86 135.00 127.75 1x4c n PRO 10 Ca 0.10 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 63.05 1x4c n PRO 10 Cb 0.50 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1x4c n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4c n SER 11 N -0.94 0.72 -1.23 3.54 7.64 -1.26 -4.91 113.62 117.18 1x4c n SER 11 Ca 0.10 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1x4c n SER 11 Cb 0.05 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1x4c n SER 11 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x4c n ARG 12 N 5.38 3.57 -1.13 1.43 3.00 -1.26 -4.92 116.66 122.74 1x4c n ARG 12 Ca 0.40 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.80 1x4c n ARG 12 Cb -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.36 1x4c n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x4c n ARG 13 N 0.00 0.00 -0.32 -0.14 5.12 -1.26 -4.91 116.66 115.14 1x4c n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1x4c n ARG 13 Cb 0.00 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1x4c n ARG 13 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1x4c n SER 14 N 2.81 0.00 -0.07 0.55 7.64 -1.26 -5.08 113.62 118.21 1x4c n SER 14 Ca 0.22 -0.56 -0.13 0.00 1.01 0.00 0.00 58.87 59.41 1x4c n SER 14 Cb -0.04 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 1x4c n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x4c n GLU 15 N -0.56 0.35 -2.91 1.43 1.02 -1.26 -4.77 120.64 113.94 1x4c n GLU 15 Ca 0.00 0.15 -0.36 0.00 -0.02 0.00 0.00 57.16 56.93 1x4c n GLU 15 Cb 0.00 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1x4c n GLU 15 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x4c n ASN 16 N -3.93 5.87 -4.31 1.62 3.02 -1.26 -4.97 115.26 111.30 1x4c n ASN 16 Ca -0.23 -3.60 -0.32 0.00 -0.03 0.00 0.00 54.58 50.41 1x4c n ASN 16 Cb 0.56 -0.95 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 1x4c n ASN 16 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1x4c s ARG 17 N -3.51 2.46 0.23 3.52 3.52 -1.26 -1.01 118.95 122.89 1x4c s ARG 17 Ca 0.40 -0.88 0.11 0.00 -0.13 0.00 0.00 55.73 55.23 1x4c s ARG 17 Cb 0.18 -2.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 1x4c s ARG 17 CO -0.06 0.45 -0.22 0.14 -0.81 0.00 0.00 175.30 174.80 1x4c s VAL 18 N -0.33 2.36 -0.11 7.11 -7.23 0.31 -0.16 120.40 122.35 1x4c s VAL 18 Ca 0.01 -2.18 -0.03 0.00 -1.81 0.00 0.00 61.98 57.97 1x4c s VAL 18 Cb -0.12 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1x4c s VAL 18 CO 0.02 -0.26 0.03 -0.69 -0.31 0.00 0.00 175.10 173.89 1x4c s VAL 19 N -2.07 4.51 -0.07 1.32 1.01 0.13 -2.06 120.40 123.18 1x4c s VAL 19 Ca 0.24 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1x4c s VAL 19 Cb -0.06 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1x4c s VAL 19 CO 0.12 0.59 -0.18 -0.69 0.00 0.00 0.00 175.10 174.93 1x4c s VAL 20 N -0.69 2.71 0.12 2.92 1.01 0.15 -2.55 120.40 124.08 1x4c s VAL 20 Ca 0.11 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1x4c s VAL 20 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1x4c s VAL 20 CO 0.02 0.57 -0.01 -0.94 0.00 0.00 0.00 175.10 174.74 1x4c s SER 21 N -0.26 0.90 0.00 3.32 1.04 -0.67 -1.32 113.70 116.70 1x4c s SER 21 Ca 0.01 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1x4c s SER 21 Cb -0.13 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1x4c s SER 21 CO 0.03 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1x4c n GLY 22 N -0.10 0.39 3.78 7.32 0.00 -0.97 -0.30 105.19 115.30 1x4c n GLY 22 Ca -0.09 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1x4c n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4c s LEU 23 N 0.00 4.09 0.91 0.99 1.43 0.61 -4.26 118.68 122.44 1x4c s LEU 23 Ca 0.00 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 1x4c s LEU 23 Cb 0.00 -4.20 0.14 0.00 0.03 0.00 0.00 46.19 42.16 1x4c s LEU 23 CO 0.00 -0.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.81 1x4c s PRO 24 N -2.57 1.14 0.46 1.29 0.04 -1.26 -4.45 135.00 129.65 1x4c s PRO 24 Ca 0.60 0.78 0.31 0.00 0.04 0.00 0.00 61.00 62.73 1x4c s PRO 24 Cb -0.26 -1.80 1.28 0.00 0.04 0.00 0.00 34.50 33.77 1x4c s PRO 24 CO 0.32 -2.31 1.91 -1.00 0.04 0.00 0.00 177.00 175.96 1x4c h PRO 25 N -1.60 0.00 -0.19 0.56 0.13 -1.98 -2.85 132.00 126.07 1x4c h PRO 25 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1x4c h PRO 25 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1x4c h PRO 25 CO 0.55 0.00 -0.28 -1.13 -0.23 0.00 0.00 178.00 176.91 1x4c n SER 26 N -2.82 2.11 -4.61 1.44 3.41 -1.26 -5.00 113.62 106.88 1x4c n SER 26 Ca 0.01 -3.85 -0.38 0.00 -0.26 0.00 0.00 58.87 54.39 1x4c n SER 26 Cb 0.27 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1x4c n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4c s GLY 27 N -2.88 1.94 0.17 5.00 0.00 -1.08 -4.57 107.32 105.90 1x4c s GLY 27 Ca 0.42 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 44.23 1x4c s GLY 27 CO -0.04 0.66 -0.02 -1.35 0.00 0.00 0.00 173.10 172.35 1x4c s SER 28 N 1.56 4.67 0.21 1.64 1.04 -1.26 -4.92 113.70 116.64 1x4c s SER 28 Ca 0.09 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 1x4c s SER 28 Cb -0.15 -0.96 0.23 0.00 0.10 0.00 0.00 66.02 65.23 1x4c s SER 28 CO 0.09 0.10 1.61 4.11 0.98 0.00 0.00 173.24 180.14 1x4c h TRP 29 N 2.83 -0.46 -1.10 5.02 5.08 -1.91 0.48 115.95 125.89 1x4c h TRP 29 Ca -0.47 0.06 0.30 0.00 1.08 0.00 0.00 58.89 59.86 1x4c h TRP 29 Cb 1.20 0.30 -0.09 0.00 -3.00 0.00 0.00 29.16 27.57 1x4c h TRP 29 CO 0.63 -0.30 0.73 0.37 -1.28 0.00 0.00 178.44 178.58 1x4c h GLN 30 N -0.04 0.27 0.06 0.12 4.15 -1.96 0.37 115.11 118.09 1x4c h GLN 30 Ca 0.30 -0.02 -0.28 0.00 0.77 0.00 0.00 58.65 59.42 1x4c h GLN 30 Cb 0.50 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1x4c h GLN 30 CO -0.67 0.18 -1.47 -0.44 -1.93 0.00 0.00 178.83 174.49 1x4c h ASP 31 N 0.28 0.20 0.73 -0.69 5.19 -0.60 -3.28 116.42 118.25 1x4c h ASP 31 Ca 0.61 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.70 1x4c h ASP 31 Cb 1.78 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 41.23 1x4c h ASP 31 CO -0.25 1.24 -0.35 0.25 -3.12 0.00 0.00 179.24 177.01 1x4c h LEU 32 N 0.03 -0.83 -0.93 1.55 5.85 0.24 -3.05 115.31 118.18 1x4c h LEU 32 Ca -0.21 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.78 1x4c h LEU 32 Cb 1.96 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 43.08 1x4c h LEU 32 CO 0.13 -0.46 0.45 0.50 -0.34 0.00 0.00 178.44 178.72 1x4c h LYS 33 N -1.24 0.41 -0.43 1.25 3.11 -1.00 0.69 116.57 119.36 1x4c h LYS 33 Ca -0.10 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.82 1x4c h LYS 33 Cb 0.75 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.86 1x4c h LYS 33 CO 0.16 0.27 0.30 0.22 -2.81 0.00 0.00 179.45 177.60 1x4c h ASP 34 N 0.43 0.10 1.38 4.20 1.82 -1.60 0.45 116.42 123.19 1x4c h ASP 34 Ca 0.59 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.24 1x4c h ASP 34 Cb 1.16 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1x4c h ASP 34 CO -0.53 0.06 -0.51 -0.74 -1.61 0.00 0.00 179.24 175.91 1x4c h HIS 35 N 0.11 0.00 0.00 0.28 2.76 0.47 -3.27 115.15 115.50 1x4c h HIS 35 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1x4c h HIS 35 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1x4c h HIS 35 CO -0.00 0.00 -0.86 -1.33 -1.30 0.00 0.00 177.93 174.44 1x4c n MET 36 N -2.73 0.03 -0.30 5.26 2.81 0.56 -4.28 117.12 118.48 1x4c n MET 36 Ca 0.02 -0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 1x4c n MET 36 Cb 0.52 -1.51 0.12 0.00 -0.71 0.00 0.00 33.22 31.64 1x4c n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x4c h ARG 37 N 0.00 0.96 -1.25 0.03 3.08 -0.33 -2.12 114.38 114.75 1x4c h ARG 37 Ca 0.00 -0.06 0.45 0.00 0.07 0.00 0.00 59.98 60.44 1x4c h ARG 37 Cb 0.52 -0.22 -0.15 0.00 0.08 0.00 0.00 29.97 30.21 1x4c h ARG 37 CO 0.00 0.63 0.77 0.93 -1.07 0.00 0.00 179.97 181.23 1x4c h GLU 38 N 0.99 0.03 -0.80 0.04 3.07 -1.78 1.25 114.58 117.37 1x4c h GLU 38 Ca 0.34 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1x4c h GLU 38 Cb 0.08 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1x4c h GLU 38 CO -0.14 0.02 0.51 0.00 -1.40 0.00 0.00 179.01 178.00 1x4c h ALA 39 N 1.74 1.02 0.00 3.43 0.00 -1.68 -3.48 119.26 120.28 1x4c h ALA 39 Ca 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1x4c h ALA 39 Cb 2.58 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1x4c h ALA 39 CO -0.56 0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1x4c n GLY 40 N -1.27 -1.46 2.95 0.00 0.00 0.43 -4.43 105.19 101.41 1x4c n GLY 40 Ca 0.08 0.60 -0.19 0.00 0.00 0.00 0.00 46.02 46.51 1x4c n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4c s ASP 41 N -4.00 0.97 -0.06 1.61 1.01 -1.26 -4.81 116.67 110.13 1x4c s ASP 41 Ca 0.00 -0.14 -0.13 0.00 0.71 0.00 0.00 52.55 52.98 1x4c s ASP 41 Cb 0.00 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1x4c s ASP 41 CO 0.00 0.01 0.34 -0.69 0.21 0.00 0.00 175.17 175.05 1x4c s VAL 42 N 0.43 5.18 -0.02 -1.27 1.01 -1.26 -2.75 120.40 121.72 1x4c s VAL 42 Ca -0.06 0.68 0.13 0.00 0.00 0.00 0.00 61.98 62.73 1x4c s VAL 42 Cb -0.10 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.43 1x4c s VAL 42 CO 0.00 0.53 0.29 0.00 0.00 0.00 0.00 175.10 175.92 1x4c s TYR 44 N -2.90 -0.97 -0.01 0.00 5.04 -1.16 -4.96 117.35 112.39 1x4c s TYR 44 Ca -0.05 2.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1x4c s TYR 44 Cb 0.08 0.53 0.01 0.00 0.35 0.00 0.00 41.96 42.93 1x4c s TYR 44 CO 0.54 -0.48 0.00 0.00 -1.34 0.00 0.00 175.55 174.28 1x4c s ALA 45 N 1.27 0.12 -0.27 3.97 0.00 -1.26 -1.21 121.76 124.38 1x4c s ALA 45 Ca -0.07 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 1x4c s ALA 45 Cb -0.05 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.00 1x4c s ALA 45 CO -0.14 -0.03 0.71 0.34 0.00 0.00 0.00 175.76 176.64 1x4c s ASP 46 N 0.49 -0.81 -0.03 0.00 -1.08 -0.89 -4.95 116.67 109.40 1x4c s ASP 46 Ca -0.04 1.47 0.05 0.00 -0.52 0.00 0.00 52.55 53.51 1x4c s ASP 46 Cb -0.07 1.44 -0.01 0.00 -1.46 0.00 0.00 42.92 42.83 1x4c s ASP 46 CO -0.01 -0.25 -0.18 0.68 0.52 0.00 0.00 175.17 175.93 1x4c s VAL 47 N 0.77 1.49 0.28 1.11 -7.23 -1.26 -0.48 120.40 115.08 1x4c s VAL 47 Ca -0.03 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1x4c s VAL 47 Cb -0.05 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1x4c s VAL 47 CO -0.05 0.42 0.46 -0.31 -0.31 0.00 0.00 175.10 175.31 1x4c s TYR 48 N -0.19 3.48 0.00 2.82 1.51 -0.13 -4.87 117.35 119.97 1x4c s TYR 48 Ca 0.01 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1x4c s TYR 48 Cb -0.10 -1.81 -0.22 0.00 -0.11 0.00 0.00 41.96 39.73 1x4c s TYR 48 CO 0.01 0.27 3.19 0.54 -1.11 0.00 0.00 175.55 178.45 1x4c n ARG 49 N -1.36 1.73 -0.04 -0.62 1.74 -1.26 -3.23 116.66 113.62 1x4c n ARG 49 Ca -0.06 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 1x4c n ARG 49 Cb 0.56 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1x4c n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x4c n ASP 50 N 2.40 0.00 0.00 0.55 8.00 -1.26 -4.99 116.55 121.25 1x4c n ASP 50 Ca 0.34 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1x4c n ASP 50 Cb 0.80 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1x4c n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4c n GLY 51 N 0.00 0.48 3.40 0.44 0.00 -1.20 -4.94 105.19 103.37 1x4c n GLY 51 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1x4c n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4c s THR 52 N -2.00 1.41 -0.28 2.61 -4.23 -1.25 -0.28 115.64 111.62 1x4c s THR 52 Ca 0.00 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 1x4c s THR 52 Cb 0.00 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.50 1x4c s THR 52 CO 0.00 -0.27 1.02 -0.83 -0.54 0.00 0.00 174.62 173.99 1x4c s GLY 53 N -3.41 -0.17 0.11 3.99 0.00 -0.44 -0.95 107.32 106.45 1x4c s GLY 53 Ca 0.30 2.62 0.04 0.00 0.00 0.00 0.00 44.72 47.68 1x4c s GLY 53 CO 0.11 1.80 0.07 -1.34 0.00 0.00 0.00 173.10 173.74 1x4c s VAL 54 N 0.18 4.34 -0.03 1.40 -7.23 0.37 0.31 120.40 119.74 1x4c s VAL 54 Ca 0.03 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.17 1x4c s VAL 54 Cb -0.05 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.78 1x4c s VAL 54 CO -0.06 0.04 0.19 -0.69 -0.31 0.00 0.00 175.10 174.28 1x4c s VAL 55 N -1.49 0.04 -0.26 1.32 1.01 -0.87 -2.10 120.40 118.05 1x4c s VAL 55 Ca 0.29 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1x4c s VAL 55 Cb -0.11 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1x4c s VAL 55 CO 0.21 -0.20 -0.06 -0.70 0.00 0.00 0.00 175.10 174.34 1x4c s GLU 56 N -0.75 1.83 -0.38 2.72 2.12 -0.35 -0.53 118.70 123.37 1x4c s GLU 56 Ca -0.08 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 53.75 1x4c s GLU 56 Cb -0.05 -2.74 0.02 0.00 0.26 0.00 0.00 34.13 31.62 1x4c s GLU 56 CO 0.01 -0.62 1.08 -0.06 -0.54 0.00 0.00 175.26 175.13 1x4c s PHE 57 N 1.24 3.02 0.36 5.30 0.08 -0.18 -0.58 117.98 127.22 1x4c s PHE 57 Ca -0.05 0.98 0.18 0.00 0.12 0.00 0.00 56.93 58.15 1x4c s PHE 57 Cb -0.19 -3.96 1.16 0.00 -0.57 0.00 0.00 43.02 39.46 1x4c s PHE 57 CO -0.06 -0.96 1.66 -0.24 -0.10 0.00 0.00 175.22 175.51 1x4c h VAL 58 N 5.93 0.26 -3.35 -0.44 3.04 -1.80 -3.36 116.25 116.52 1x4c h VAL 58 Ca -0.22 -0.09 -0.65 0.00 -1.01 0.00 0.00 66.70 64.73 1x4c h VAL 58 Cb 1.06 -0.03 -0.27 0.00 -2.01 0.00 0.00 31.29 30.05 1x4c h VAL 58 CO 1.06 0.05 -0.73 -0.13 -1.01 0.00 0.00 177.57 176.81 1x4c s ARG 59 N -5.59 3.42 0.26 4.17 0.52 -1.26 -5.00 118.95 115.46 1x4c s ARG 59 Ca -0.09 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1x4c s ARG 59 Cb 0.30 -2.88 0.53 0.00 0.52 0.00 0.00 34.95 33.42 1x4c s ARG 59 CO 0.79 -0.01 1.71 -0.22 0.02 0.00 0.00 175.30 177.59 1x4c h LYS 60 N 7.49 0.38 -0.75 3.54 3.64 -1.94 -0.99 116.57 127.94 1x4c h LYS 60 Ca -0.36 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1x4c h LYS 60 Cb 1.18 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 1x4c h LYS 60 CO 0.60 0.25 -0.20 0.93 -2.27 0.00 0.00 179.45 178.76 1x4c h GLU 61 N 0.39 -0.01 -0.03 1.90 5.08 -1.94 0.85 114.58 120.82 1x4c h GLU 61 Ca 0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1x4c h GLU 61 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1x4c h GLU 61 CO -0.47 -0.00 -0.13 -0.44 -1.00 0.00 0.00 179.01 176.97 1x4c h ASP 62 N -0.01 0.05 0.42 1.42 3.32 -1.40 -1.92 116.42 118.30 1x4c h ASP 62 Ca 0.36 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1x4c h ASP 62 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1x4c h ASP 62 CO -0.78 0.18 -0.20 -0.03 -1.72 0.00 0.00 179.24 176.69 1x4c h MET 63 N 0.05 -0.54 -0.41 3.56 4.05 0.85 -0.31 114.93 122.18 1x4c h MET 63 Ca 0.01 0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.59 1x4c h MET 63 Cb 0.26 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1x4c h MET 63 CO 0.02 -0.36 0.39 1.15 0.23 0.00 0.00 176.91 178.34 1x4c h THR 64 N -0.94 0.48 0.10 -0.77 2.02 -0.98 -0.85 112.91 111.98 1x4c h THR 64 Ca -0.06 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.96 1x4c h THR 64 Cb 0.43 0.70 0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1x4c h THR 64 CO 0.09 0.00 -0.71 0.22 0.37 0.00 0.00 175.52 175.49 1x4c h TYR 65 N 0.00 0.52 -0.99 3.16 3.20 -1.33 -3.17 116.97 118.35 1x4c h TYR 65 Ca 0.20 -0.36 0.07 0.00 3.14 0.00 0.00 58.73 61.78 1x4c h TYR 65 Cb 0.98 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 1x4c h TYR 65 CO 0.00 1.25 0.64 0.00 -1.64 0.00 0.00 178.16 178.41 1x4c h ALA 66 N 0.13 1.42 0.00 1.82 0.00 0.35 0.17 119.26 123.16 1x4c h ALA 66 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x4c h ALA 66 Cb 1.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x4c h ALA 66 CO 0.13 0.42 0.00 -0.39 0.00 0.00 0.00 179.25 179.42 1x4c h VAL 67 N 1.15 0.00 0.00 0.00 -1.51 -1.47 0.88 116.25 115.31 1x4c h VAL 67 Ca 0.43 -0.48 -0.07 0.00 -1.23 0.00 0.00 66.70 65.35 1x4c h VAL 67 Cb 0.19 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1x4c h VAL 67 CO -0.17 0.00 -0.69 0.03 -1.23 0.00 0.00 177.57 175.50 1x4c h ARG 68 N 0.00 0.00 0.04 5.19 3.08 -0.89 -3.37 114.38 118.43 1x4c h ARG 68 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1x4c h ARG 68 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1x4c h ARG 68 CO 0.00 0.35 -1.07 0.87 -1.07 0.00 0.00 179.97 179.05 1x4c h LYS 69 N -1.00 0.08 -2.39 0.04 1.79 -0.82 -3.38 116.57 110.88 1x4c h LYS 69 Ca -0.11 -0.13 -0.65 0.00 -2.18 0.00 0.00 60.65 57.58 1x4c h LYS 69 Cb 0.74 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 31.30 1x4c h LYS 69 CO -0.07 1.06 1.68 1.28 -1.08 0.00 0.00 179.45 182.32 1x4c n LEU 70 N -4.29 7.47 -3.73 2.94 4.77 0.30 -4.82 117.00 119.63 1x4c n LEU 70 Ca -0.26 -4.57 -0.29 0.00 -0.03 0.00 0.00 56.01 50.86 1x4c n LEU 70 Cb 0.71 -1.32 -0.16 0.00 -2.33 0.00 0.00 43.42 40.33 1x4c n LEU 70 CO 0.29 1.94 -0.35 -0.62 -1.33 0.00 0.00 177.39 177.32 1x4c s ASP 71 N 0.41 3.56 0.00 -1.43 2.15 -1.08 -4.22 116.67 116.06 1x4c s ASP 71 Ca 0.56 -1.27 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1x4c s ASP 71 Cb 0.26 -0.75 0.00 0.00 -0.30 0.00 0.00 42.92 42.13 1x4c s ASP 71 CO -0.14 -0.36 0.00 -3.20 -0.17 0.00 0.00 175.17 171.30 1x4c n ASN 72 N 4.94 -1.95 -4.80 -0.34 2.85 -0.42 -4.82 115.26 110.71 1x4c n ASN 72 Ca -0.06 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.19 1x4c n ASN 72 Cb 0.44 -0.49 -0.05 0.00 1.24 0.00 0.00 39.78 40.92 1x4c n ASN 72 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1x4c s THR 73 N -2.97 2.83 -0.32 -0.44 -4.23 -0.77 -4.80 115.64 104.94 1x4c s THR 73 Ca 0.00 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.71 1x4c s THR 73 Cb 0.00 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.83 1x4c s THR 73 CO 0.00 -0.08 1.05 -0.75 -0.54 0.00 0.00 174.62 174.30 1x4c s LYS 74 N -3.98 4.06 -0.16 3.99 2.20 -1.26 -0.35 119.74 124.23 1x4c s LYS 74 Ca 0.43 1.03 -0.07 0.00 -0.36 0.00 0.00 55.97 57.00 1x4c s LYS 74 Cb -0.02 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1x4c s LYS 74 CO 0.25 -0.88 0.08 0.12 -0.36 0.00 0.00 175.35 174.56 1x4c s PHE 75 N 3.60 3.34 -0.08 4.03 2.19 0.60 -4.89 117.98 126.77 1x4c s PHE 75 Ca 0.44 0.23 -0.00 0.00 0.33 0.00 0.00 56.93 57.93 1x4c s PHE 75 Cb -0.12 -2.03 -0.03 0.00 -1.31 0.00 0.00 43.02 39.53 1x4c s PHE 75 CO 0.15 0.34 -0.05 0.50 1.83 0.00 0.00 175.22 177.99 1x4c s ARG 76 N -0.07 2.88 0.47 10.12 3.52 -1.26 -0.73 118.95 133.89 1x4c s ARG 76 Ca 0.08 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 1x4c s ARG 76 Cb -0.12 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1x4c s ARG 76 CO 0.01 0.65 0.61 -1.54 -0.81 0.00 0.00 175.30 174.21 1x4c s SER 77 N -0.75 5.38 0.31 -2.12 1.04 -0.29 -4.92 113.70 112.35 1x4c s SER 77 Ca 0.11 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1x4c s SER 77 Cb -0.11 -0.32 0.54 0.00 0.10 0.00 0.00 66.02 66.23 1x4c s SER 77 CO 0.02 -0.93 1.93 1.12 0.98 0.00 0.00 173.24 176.36 1x4c h HIS 78 N 0.55 1.00 0.00 5.02 2.07 -1.89 0.11 115.15 122.01 1x4c h HIS 78 Ca -0.37 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1x4c h HIS 78 Cb 1.28 -0.33 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1x4c h HIS 78 CO 0.45 0.55 0.00 0.39 -3.07 0.00 0.00 177.93 176.25 1x4c n GLU 79 N -4.47 0.09 0.00 5.12 -0.58 -1.26 -4.80 120.64 114.74 1x4c n GLU 79 Ca 0.12 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1x4c n GLU 79 Cb 0.16 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1x4c n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4c n GLY 80 N -0.65 1.87 3.72 0.62 0.00 0.37 -5.03 105.19 106.09 1x4c n GLY 80 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1x4c n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x4c s GLU 81 N -0.56 2.23 0.01 1.61 2.56 -1.26 -4.67 118.70 118.62 1x4c s GLU 81 Ca 0.00 1.93 0.06 0.00 0.00 0.00 0.00 54.97 56.97 1x4c s GLU 81 Cb 0.00 -1.82 -0.02 0.00 2.00 0.00 0.00 34.13 34.29 1x4c s GLU 81 CO 0.00 -1.81 -0.20 0.95 -0.56 0.00 0.00 175.26 173.64 1x4c s THR 82 N -1.69 1.57 -0.28 -1.70 -4.23 -1.26 -1.14 115.64 106.91 1x4c s THR 82 Ca 0.79 -0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 60.14 1x4c s THR 82 Cb -0.34 -1.33 0.08 0.00 1.34 0.00 0.00 72.50 72.25 1x4c s THR 82 CO 0.43 0.34 0.72 0.00 -0.54 0.00 0.00 174.62 175.57 1x4c s ALA 83 N -0.60 -1.87 0.04 3.99 0.00 0.09 -4.97 121.76 118.44 1x4c s ALA 83 Ca 0.07 2.29 -0.30 0.00 0.00 0.00 0.00 51.96 54.02 1x4c s ALA 83 Cb -0.08 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 1x4c s ALA 83 CO 0.00 -0.36 1.34 0.71 0.00 0.00 0.00 175.76 177.45 1x4c s TYR 84 N 1.23 3.10 0.12 0.00 2.02 -1.26 -0.29 117.35 122.26 1x4c s TYR 84 Ca -0.07 0.98 0.09 0.00 -0.37 0.00 0.00 57.07 57.71 1x4c s TYR 84 Cb -0.05 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.87 1x4c s TYR 84 CO -0.13 -2.10 -0.20 0.96 -1.57 0.00 0.00 175.55 172.50 1x4c s ILE 85 N 1.77 2.69 -0.08 2.71 -4.36 0.52 -4.52 121.20 119.93 1x4c s ILE 85 Ca 0.62 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 59.46 1x4c s ILE 85 Cb -0.32 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 1x4c s ILE 85 CO 0.28 0.11 -0.04 -0.13 0.24 0.00 0.00 174.94 175.40 1x4c s ARG 86 N -2.07 2.91 -0.03 0.37 1.81 0.58 -1.31 118.95 121.22 1x4c s ARG 86 Ca 0.17 -0.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.73 1x4c s ARG 86 Cb -0.10 -2.69 -0.01 0.00 -0.45 0.00 0.00 34.95 31.70 1x4c s ARG 86 CO 0.09 0.63 -0.20 0.08 -0.68 0.00 0.00 175.30 175.22 1x4c s VAL 87 N -0.72 1.61 -0.01 3.52 1.01 -1.26 -1.68 120.40 122.87 1x4c s VAL 87 Ca 0.11 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1x4c s VAL 87 Cb -0.11 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1x4c s VAL 87 CO 0.02 0.46 0.46 -1.59 0.00 0.00 0.00 175.10 174.44 1x4c s LYS 88 N -0.28 0.86 -0.03 2.72 -2.85 -1.06 -4.74 119.74 114.37 1x4c s LYS 88 Ca 0.03 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.61 1x4c s LYS 88 Cb -0.10 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1x4c s LYS 88 CO 0.01 -0.27 1.49 0.54 0.10 0.00 0.00 175.35 177.22 1x4c s VAL 89 N -1.57 3.66 -0.14 1.79 0.11 -1.26 -0.69 120.40 122.30 1x4c s VAL 89 Ca -0.11 0.96 -0.34 0.00 -2.93 0.00 0.00 61.98 59.57 1x4c s VAL 89 Cb -0.02 -3.62 -0.11 0.00 -1.53 0.00 0.00 36.38 31.09 1x4c s VAL 89 CO 0.04 -0.04 1.95 -0.67 -3.33 0.00 0.00 175.10 173.06 1x4c n ASP 90 N 6.05 3.27 0.00 3.54 -0.08 0.77 -4.62 116.55 125.49 1x4c n ASP 90 Ca 0.15 0.83 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 1x4c n ASP 90 Cb 0.43 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1x4c n ASP 90 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4c n GLY 91 N 4.79 0.12 1.21 0.27 0.00 -1.26 -4.89 105.19 105.43 1x4c n GLY 91 Ca 0.26 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1x4c n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4c n PRO 92 N 0.00 -1.76 -3.80 1.61 -0.04 -1.26 -5.10 135.00 124.65 1x4c n PRO 92 Ca 0.00 -0.61 -0.04 0.00 -0.04 0.00 0.00 63.50 62.81 1x4c n PRO 92 Cb 0.00 -0.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.89 1x4c n PRO 92 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x4c s ARG 93 N -3.86 1.37 0.29 0.54 3.03 -1.26 -4.92 118.95 114.14 1x4c s ARG 93 Ca 0.25 -0.80 0.09 0.00 2.03 0.00 0.00 55.73 57.30 1x4c s ARG 93 Cb -0.02 0.44 -0.04 0.00 -1.03 0.00 0.00 34.95 34.30 1x4c s ARG 93 CO 0.19 -0.63 0.04 -1.12 -1.13 0.00 0.00 175.30 172.65 1x4c s SER 94 N -3.03 4.61 -0.02 -2.89 0.01 -1.26 -5.06 113.70 106.06 1x4c s SER 94 Ca 0.14 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.47 1x4c s SER 94 Cb -0.02 -0.83 -0.20 0.00 0.21 0.00 0.00 66.02 65.17 1x4c s SER 94 CO 0.04 -0.09 1.27 1.55 0.41 0.00 0.00 173.24 176.42 1x4c h PRO 95 N 1.78 0.00 0.00 12.44 0.13 -2.07 -3.48 132.00 140.79 1x4c h PRO 95 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x4c h PRO 95 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x4c h PRO 95 CO 0.61 0.49 0.00 0.45 -0.23 0.00 0.00 178.00 179.33 1x4c n SER 96 N -4.85 0.00 -3.21 1.44 2.88 -1.26 -5.18 113.62 103.44 1x4c n SER 96 Ca -0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.44 1x4c n SER 96 Cb 0.25 0.10 0.02 0.00 -0.75 0.00 0.00 64.21 63.82 1x4c n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4c n TYR 97 N -1.50 -1.06 -2.26 0.66 9.36 -1.26 -5.14 117.16 115.95 1x4c n TYR 97 Ca 0.00 -1.04 -0.41 0.00 3.32 0.00 0.00 57.90 59.77 1x4c n TYR 97 Cb 0.00 0.50 -0.03 0.00 -0.63 0.00 0.00 39.34 39.18 1x4c n TYR 97 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1x4c s GLY 98 N -3.42 2.65 -0.49 2.98 0.00 -1.26 -4.99 107.32 102.80 1x4c s GLY 98 Ca 0.22 1.07 -0.19 0.00 0.00 0.00 0.00 44.72 45.83 1x4c s GLY 98 CO 0.04 1.94 0.62 -1.60 0.00 0.00 0.00 173.10 174.09 1x4c s ARG 99 N -0.54 3.15 0.37 2.90 3.00 -1.26 -5.05 118.95 121.52 1x4c s ARG 99 Ca 0.53 -0.79 0.08 0.00 -1.00 0.00 0.00 55.73 54.56 1x4c s ARG 99 Cb -0.36 -4.06 -0.05 0.00 0.00 0.00 0.00 34.95 30.48 1x4c s ARG 99 CO 0.40 -1.16 0.13 -1.12 0.00 0.00 0.00 175.30 173.55 1x4c s SER 100 N 2.51 4.49 -0.30 -2.12 0.01 -1.26 -5.14 113.70 111.89 1x4c s SER 100 Ca 0.16 -0.92 -0.09 0.00 1.31 0.00 0.00 55.95 56.41 1x4c s SER 100 Cb -0.18 -0.60 0.15 0.00 0.21 0.00 0.00 66.02 65.60 1x4c s SER 100 CO 0.13 -0.37 0.70 -0.60 0.41 0.00 0.00 173.24 173.51 1x4c s ARG 101 N -3.84 0.52 -0.15 12.44 3.00 -1.26 -5.06 118.95 124.59 1x4c s ARG 101 Ca 0.38 1.23 -0.07 0.00 -1.00 0.00 0.00 55.73 56.27 1x4c s ARG 101 Cb 0.00 0.73 0.03 0.00 0.00 0.00 0.00 34.95 35.71 1x4c s ARG 101 CO 0.22 -0.27 0.15 0.45 0.00 0.00 0.00 175.30 175.84 1x4c n SER 102 N 5.38 -3.48 0.06 -2.12 2.88 -1.26 -5.03 113.62 110.05 1x4c n SER 102 Ca -0.09 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1x4c n SER 102 Cb 0.50 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 1x4c n SER 102 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4c n SER 103 N 1.72 0.92 0.00 -3.46 2.88 -1.26 -5.13 113.62 109.29 1x4c n SER 103 Ca -0.25 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x4c n SER 103 Cb 0.41 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1x4c n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4c n GLY 104 N 3.25 0.66 3.73 0.46 0.00 -1.26 -5.08 105.19 106.96 1x4c n GLY 104 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1x4c n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4c s PRO 105 N -0.42 4.37 0.30 1.61 0.04 -1.26 -5.00 135.00 134.64 1x4c s PRO 105 Ca 0.00 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1x4c s PRO 105 Cb 0.00 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.37 1x4c s PRO 105 CO 0.00 -0.30 0.66 0.45 0.04 0.00 0.00 177.00 177.85 1x4c n SER 106 N 3.05 -1.80 -0.91 6.66 2.88 -1.26 -5.16 113.62 117.08 1x4c n SER 106 Ca 0.08 -2.22 0.12 0.00 -1.33 0.00 0.00 58.87 55.52 1x4c n SER 106 Cb 0.43 3.00 -0.04 0.00 -0.75 0.00 0.00 64.21 66.85 1x4c n SER 106 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4c n SER 107 N -1.40 -5.47 0.00 -3.46 2.88 -1.26 -5.33 113.62 99.58 1x4c n SER 107 Ca -0.07 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1x4c n SER 107 Cb 0.48 -2.88 0.00 0.00 -0.75 0.00 0.00 64.21 61.06 1x4c n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42