#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 6.79 -1.23 1.61 2.88 -1.26 -4.99 113.62 117.42 1x4c n SER 2 Ca 0.00 -3.29 0.15 0.00 -1.33 0.00 0.00 58.87 54.40 1x4c n SER 2 Cb 0.00 -1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 62.30 1x4c n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4c n SER 3 N 0.15 -6.67 -3.49 -3.46 7.64 -1.26 -5.06 113.62 101.46 1x4c n SER 3 Ca 0.42 1.24 -0.10 0.00 1.01 0.00 0.00 58.87 61.44 1x4c n SER 3 Cb 0.57 -4.23 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 1x4c n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4c s GLY 4 N -6.78 -0.48 -0.04 0.23 0.00 -1.26 -5.17 107.32 93.82 1x4c s GLY 4 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.76 1x4c s GLY 4 CO 0.00 0.41 -0.04 -0.45 0.00 0.00 0.00 173.10 173.03 1x4c s SER 5 N -2.31 0.81 0.32 1.64 0.15 -1.26 -5.15 113.70 107.91 1x4c s SER 5 Ca 0.02 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1x4c s SER 5 Cb -0.01 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1x4c s SER 5 CO -0.07 -0.05 0.13 -0.44 1.20 0.00 0.00 173.24 174.00 1x4c s SER 6 N 0.85 1.88 0.00 5.45 0.01 -1.26 -5.02 113.70 115.62 1x4c s SER 6 Ca -0.11 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1x4c s SER 6 Cb -0.14 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1x4c s SER 6 CO -0.00 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.44 1x4c n GLY 7 N -0.65 0.84 0.00 3.44 0.00 -1.26 -5.08 105.19 102.48 1x4c n GLY 7 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.35 3.77 -0.02 0.00 -1.26 -5.15 105.19 101.18 1x4c n GLY 8 Ca 0.00 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.31 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 0.49 3.64 0.49 1.61 0.04 -1.26 -4.94 135.00 135.07 1x4c s PRO 9 Ca 0.00 1.73 0.28 0.00 0.04 0.00 0.00 61.00 63.05 1x4c s PRO 9 Cb 0.00 -2.29 1.17 0.00 0.04 0.00 0.00 34.50 33.42 1x4c s PRO 9 CO 0.00 -0.64 1.92 -1.00 0.04 0.00 0.00 177.00 177.32 1x4c h PRO 10 N 1.80 0.00 -3.77 0.56 0.13 -2.06 -3.45 132.00 125.21 1x4c h PRO 10 Ca -0.50 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.24 1x4c h PRO 10 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1x4c h PRO 10 CO 0.59 0.14 1.24 0.43 -0.23 0.00 0.00 178.00 180.18 1x4c n SER 11 N -3.34 0.26 -3.62 1.44 7.64 -1.26 -4.81 113.62 109.93 1x4c n SER 11 Ca -0.00 0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.98 1x4c n SER 11 Cb 0.36 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1x4c n SER 11 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1x4c s ARG 12 N 6.28 0.42 0.00 1.43 0.52 -1.26 -4.93 118.95 121.42 1x4c s ARG 12 Ca 0.98 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1x4c s ARG 12 Cb -0.95 0.20 0.00 0.00 0.52 0.00 0.00 34.95 34.72 1x4c s ARG 12 CO 0.38 -0.08 0.00 -2.13 0.02 0.00 0.00 175.30 173.48 1x4c n ARG 13 N 1.55 -0.02 -0.92 3.54 0.00 -1.26 -4.96 116.66 114.58 1x4c n ARG 13 Ca -0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 57.85 57.71 1x4c n ARG 13 Cb 0.57 -3.48 0.02 0.00 0.00 0.00 0.00 32.46 29.57 1x4c n ARG 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1x4c n SER 14 N -0.01 0.21 0.00 6.15 7.64 -1.26 -5.05 113.62 121.30 1x4c n SER 14 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1x4c n SER 14 Cb 0.01 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1x4c n SER 14 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1x4c n GLU 15 N -1.30 0.00 -1.70 1.43 0.28 -1.26 -5.03 120.64 113.06 1x4c n GLU 15 Ca 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.98 1x4c n GLU 15 Cb 0.09 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.98 1x4c n GLU 15 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x4c n ASN 16 N 0.00 -0.92 -4.18 -1.84 0.23 -1.26 -4.78 115.26 102.50 1x4c n ASN 16 Ca 0.00 -2.08 -0.33 0.00 -0.53 0.00 0.00 54.58 51.64 1x4c n ASN 16 Cb 0.00 0.36 -0.16 0.00 -2.08 0.00 0.00 39.78 37.91 1x4c n ASN 16 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x4c s ARG 17 N -0.12 3.09 0.17 -3.83 3.52 -1.26 -1.26 118.95 119.26 1x4c s ARG 17 Ca 0.07 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 54.95 1x4c s ARG 17 Cb 0.20 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1x4c s ARG 17 CO -0.06 -0.12 -0.04 0.14 -0.81 0.00 0.00 175.30 174.41 1x4c s VAL 18 N 1.12 3.52 -0.14 7.11 -7.23 0.13 0.25 120.40 125.16 1x4c s VAL 18 Ca 0.00 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1x4c s VAL 18 Cb -0.14 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1x4c s VAL 18 CO -0.07 -0.08 0.09 -0.69 -0.31 0.00 0.00 175.10 174.04 1x4c s VAL 19 N -1.66 5.06 -0.08 1.32 1.01 -0.18 -1.90 120.40 123.96 1x4c s VAL 19 Ca 0.26 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 1x4c s VAL 19 Cb -0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1x4c s VAL 19 CO 0.17 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 175.07 1x4c s VAL 20 N -0.40 3.80 0.18 2.92 1.01 0.06 -2.80 120.40 125.16 1x4c s VAL 20 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1x4c s VAL 20 Cb -0.12 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1x4c s VAL 20 CO 0.02 0.58 0.03 -0.94 0.00 0.00 0.00 175.10 174.80 1x4c s SER 21 N -0.64 0.97 -0.81 3.32 1.04 -0.74 -0.28 113.70 116.56 1x4c s SER 21 Ca 0.10 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.30 1x4c s SER 21 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x4c s SER 21 CO 0.02 -0.64 0.03 0.61 0.98 0.00 0.00 173.24 174.24 1x4c n GLY 22 N -0.25 -0.01 3.79 7.32 0.00 -0.53 -1.53 105.19 113.99 1x4c n GLY 22 Ca -0.05 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.82 4.36 0.78 0.99 1.43 0.69 -4.29 118.68 119.83 1x4c s LEU 23 Ca 0.01 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 1x4c s LEU 23 Cb -0.01 -3.85 0.06 0.00 0.03 0.00 0.00 46.19 42.43 1x4c s LEU 23 CO 0.02 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 1x4c s PRO 24 N -1.97 2.21 0.10 1.29 0.04 -1.26 -4.22 135.00 131.18 1x4c s PRO 24 Ca 0.47 1.15 0.18 0.00 0.04 0.00 0.00 61.00 62.84 1x4c s PRO 24 Cb -0.18 -1.89 0.75 0.00 0.04 0.00 0.00 34.50 33.21 1x4c s PRO 24 CO 0.23 -1.67 1.55 -0.35 0.04 0.00 0.00 177.00 176.80 1x4c n PRO 25 N -3.54 0.07 -0.00 0.56 -0.04 -1.26 -2.29 135.00 128.50 1x4c n PRO 25 Ca 0.09 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1x4c n PRO 25 Cb 0.53 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 1x4c n PRO 25 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4c n SER 26 N -1.78 0.66 -4.73 3.54 7.64 -1.26 -5.00 113.62 112.69 1x4c n SER 26 Ca 0.03 -0.68 -0.42 0.00 1.01 0.00 0.00 58.87 58.81 1x4c n SER 26 Cb 0.19 1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.40 1x4c n SER 26 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4c s GLY 27 N -2.06 1.95 0.22 0.23 0.00 -0.97 -4.85 107.32 101.84 1x4c s GLY 27 Ca 0.03 1.30 0.11 0.00 0.00 0.00 0.00 44.72 46.16 1x4c s GLY 27 CO 0.42 2.43 -0.21 -0.45 0.00 0.00 0.00 173.10 175.29 1x4c s SER 28 N 0.82 3.29 0.21 1.64 0.15 -1.26 -4.88 113.70 113.67 1x4c s SER 28 Ca 0.65 -0.94 -0.10 0.00 0.70 0.00 0.00 55.95 56.26 1x4c s SER 28 Cb -0.41 -0.24 0.29 0.00 -1.71 0.00 0.00 66.02 63.94 1x4c s SER 28 CO 0.36 0.04 1.70 4.11 1.20 0.00 0.00 173.24 180.65 1x4c h TRP 29 N 2.83 0.16 -0.98 3.44 5.08 -1.91 0.19 115.95 124.76 1x4c h TRP 29 Ca -0.43 0.04 0.27 0.00 1.08 0.00 0.00 58.89 59.84 1x4c h TRP 29 Cb 1.23 0.02 -0.13 0.00 -3.00 0.00 0.00 29.16 27.28 1x4c h TRP 29 CO 0.73 -0.05 0.55 0.37 -1.28 0.00 0.00 178.44 178.75 1x4c h GLN 30 N 0.23 0.45 0.01 0.12 4.15 -1.96 0.13 115.11 118.24 1x4c h GLN 30 Ca 0.31 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 1x4c h GLN 30 Cb 0.47 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1x4c h GLN 30 CO -0.42 0.30 -0.28 0.22 -1.93 0.00 0.00 178.83 176.72 1x4c h ASP 31 N 0.46 0.02 -0.81 -0.69 1.82 -1.44 -3.27 116.42 112.51 1x4c h ASP 31 Ca 0.66 -0.90 0.19 0.00 -0.39 0.00 0.00 57.03 56.59 1x4c h ASP 31 Cb 1.34 -0.01 -0.13 0.00 0.68 0.00 0.00 39.33 41.22 1x4c h ASP 31 CO -0.53 1.11 0.20 0.25 -1.61 0.00 0.00 179.24 178.67 1x4c h LEU 32 N -0.97 0.00 -1.46 2.28 5.85 0.18 0.51 115.31 121.70 1x4c h LEU 32 Ca -0.07 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1x4c h LEU 32 Cb 1.09 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1x4c h LEU 32 CO -0.03 -0.09 0.15 0.50 -0.34 0.00 0.00 178.44 178.62 1x4c h LYS 33 N 0.25 0.51 0.00 1.25 3.64 -0.91 -0.66 116.57 120.65 1x4c h LYS 33 Ca 0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1x4c h LYS 33 Cb 0.89 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1x4c h LYS 33 CO -0.58 0.43 0.00 -0.44 -2.27 0.00 0.00 179.45 176.58 1x4c h ASP 34 N 0.51 0.00 0.41 4.20 5.19 -0.03 -2.25 116.42 124.46 1x4c h ASP 34 Ca 0.13 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.24 1x4c h ASP 34 Cb 0.10 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 1x4c h ASP 34 CO -0.01 0.00 -1.82 1.57 -3.12 0.00 0.00 179.24 175.86 1x4c n HIS 35 N -2.68 0.84 0.32 4.55 -0.00 -0.29 -3.99 115.22 113.96 1x4c n HIS 35 Ca 0.00 0.30 0.13 0.00 0.46 0.00 0.00 57.72 58.62 1x4c n HIS 35 Cb 0.19 -1.16 0.35 0.00 -0.12 0.00 0.00 29.99 29.26 1x4c n HIS 35 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1x4c h MET 36 N 0.00 0.00 -1.00 1.57 2.86 -1.02 -3.24 114.93 114.11 1x4c h MET 36 Ca -0.33 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1x4c h MET 36 Cb 2.05 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.62 1x4c h MET 36 CO 0.07 0.00 0.62 0.00 1.06 0.00 0.00 176.91 178.66 1x4c h ARG 37 N 0.00 0.90 -1.63 1.72 3.08 -1.57 -1.10 114.38 115.78 1x4c h ARG 37 Ca 0.00 -0.05 0.52 0.00 0.07 0.00 0.00 59.98 60.51 1x4c h ARG 37 Cb 0.80 -0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 1x4c h ARG 37 CO 0.00 0.60 1.11 0.93 -1.07 0.00 0.00 179.97 181.54 1x4c h GLU 38 N 0.93 0.00 -0.05 0.04 3.07 -1.80 1.43 114.58 118.21 1x4c h GLU 38 Ca 0.51 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.15 1x4c h GLU 38 Cb 0.59 -0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1x4c h GLU 38 CO -0.30 0.00 -0.85 0.00 -1.40 0.00 0.00 179.01 176.47 1x4c h ALA 39 N 1.36 0.17 0.00 3.43 0.00 -1.46 -3.50 119.26 119.26 1x4c h ALA 39 Ca 0.91 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x4c h ALA 39 Cb 3.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 21.05 1x4c h ALA 39 CO -0.28 0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1x4c n GLY 40 N 0.95 -0.87 3.17 0.00 0.00 0.49 -4.55 105.19 104.38 1x4c n GLY 40 Ca -0.10 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 2.44 0.19 1.61 1.11 -1.26 -4.62 116.67 112.14 1x4c s ASP 41 Ca 0.00 -0.41 -0.15 0.00 0.18 0.00 0.00 52.55 52.18 1x4c s ASP 41 Cb 0.00 -0.74 -0.07 0.00 1.07 0.00 0.00 42.92 43.18 1x4c s ASP 41 CO 0.00 0.17 0.60 -0.69 1.18 0.00 0.00 175.17 176.43 1x4c s VAL 42 N 0.05 4.79 -0.05 -1.27 1.01 -1.26 -2.63 120.40 121.04 1x4c s VAL 42 Ca -0.06 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1x4c s VAL 42 Cb -0.13 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1x4c s VAL 42 CO 0.03 0.16 0.02 0.00 0.00 0.00 0.00 175.10 175.31 1x4c s TYR 44 N -2.13 -0.47 0.00 0.00 5.04 -0.97 -4.96 117.35 113.86 1x4c s TYR 44 Ca -0.03 1.09 0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1x4c s TYR 44 Cb 0.02 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 1x4c s TYR 44 CO 0.22 -0.25 -0.03 0.00 -1.34 0.00 0.00 175.55 174.15 1x4c s ALA 45 N 0.63 0.22 -0.28 3.97 0.00 -1.26 -0.71 121.76 124.31 1x4c s ALA 45 Ca -0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1x4c s ALA 45 Cb -0.05 -0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.17 1x4c s ALA 45 CO -0.04 0.03 0.99 -0.51 0.00 0.00 0.00 175.76 176.23 1x4c s ASP 46 N -0.25 -0.51 0.07 0.00 1.11 -0.99 -4.99 116.67 111.11 1x4c s ASP 46 Ca -0.01 0.89 0.07 0.00 0.18 0.00 0.00 52.55 53.68 1x4c s ASP 46 Cb -0.02 1.04 -0.03 0.00 1.07 0.00 0.00 42.92 44.98 1x4c s ASP 46 CO -0.00 -0.15 -0.19 0.68 1.18 0.00 0.00 175.17 176.69 1x4c s VAL 47 N 0.76 1.52 0.27 -1.27 -7.23 -1.26 -0.94 120.40 112.25 1x4c s VAL 47 Ca -0.02 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1x4c s VAL 47 Cb -0.04 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1x4c s VAL 47 CO -0.10 -0.01 0.09 -0.31 -0.31 0.00 0.00 175.10 174.46 1x4c s TYR 48 N -1.04 2.85 -0.04 2.82 2.02 -0.41 -4.90 117.35 118.64 1x4c s TYR 48 Ca 0.05 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1x4c s TYR 48 Cb -0.09 -1.34 -0.20 0.00 -0.40 0.00 0.00 41.96 39.93 1x4c s TYR 48 CO 0.03 0.54 3.34 0.54 -1.57 0.00 0.00 175.55 178.43 1x4c n ARG 49 N -1.04 1.91 -0.91 -0.62 5.12 -1.26 -3.59 116.66 116.27 1x4c n ARG 49 Ca -0.06 -1.00 0.01 0.00 -1.93 0.00 0.00 57.85 54.87 1x4c n ARG 49 Cb 0.59 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1x4c n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x4c n ASP 50 N 2.21 0.29 -1.43 0.55 8.00 -1.26 -4.98 116.55 119.93 1x4c n ASP 50 Ca 0.38 -1.90 -0.14 0.00 0.71 0.00 0.00 54.79 53.83 1x4c n ASP 50 Cb 0.83 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.18 0.47 3.23 0.44 0.00 -1.24 -4.91 105.19 103.37 1x4c n GLY 51 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 0.77 0.13 2.61 -4.23 -1.26 -0.22 115.64 110.80 1x4c s THR 52 Ca 0.00 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1x4c s THR 52 Cb 0.00 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.89 1x4c s THR 52 CO 0.00 -0.62 0.24 0.61 -0.54 0.00 0.00 174.62 174.31 1x4c n GLY 53 N -0.19 1.90 3.54 3.99 0.00 0.62 -1.29 105.19 113.77 1x4c n GLY 53 Ca -0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 1x4c n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x4c s VAL 54 N -2.67 -0.07 0.05 1.61 -7.23 -0.11 -0.76 120.40 111.21 1x4c s VAL 54 Ca 0.06 0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.33 1x4c s VAL 54 Cb -0.01 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 1x4c s VAL 54 CO 0.05 0.01 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.95 1x4c s VAL 55 N 1.66 1.65 -0.26 1.32 1.01 -0.80 -2.33 120.40 122.65 1x4c s VAL 55 Ca -0.10 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1x4c s VAL 55 Cb -0.06 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.94 1x4c s VAL 55 CO -0.18 0.17 -0.06 -0.70 0.00 0.00 0.00 175.10 174.33 1x4c s GLU 56 N -1.24 1.83 -0.10 2.72 2.12 0.11 -0.69 118.70 123.44 1x4c s GLU 56 Ca 0.07 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 53.89 1x4c s GLU 56 Cb -0.09 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 1x4c s GLU 56 CO 0.02 -0.63 1.01 -0.06 -0.54 0.00 0.00 175.26 175.06 1x4c s PHE 57 N 1.24 3.52 0.45 5.30 0.08 -0.39 0.16 117.98 128.34 1x4c s PHE 57 Ca -0.05 1.59 0.17 0.00 0.12 0.00 0.00 56.93 58.76 1x4c s PHE 57 Cb -0.19 -3.19 1.10 0.00 -0.57 0.00 0.00 43.02 40.17 1x4c s PHE 57 CO -0.06 -0.23 1.95 -0.24 -0.10 0.00 0.00 175.22 176.54 1x4c h VAL 58 N 5.07 0.82 -3.60 -0.44 3.04 -1.79 -3.37 116.25 115.99 1x4c h VAL 58 Ca -0.32 -0.12 -0.68 0.00 -1.01 0.00 0.00 66.70 64.58 1x4c h VAL 58 Cb 1.15 0.45 -0.32 0.00 -2.01 0.00 0.00 31.29 30.57 1x4c h VAL 58 CO 0.85 0.06 -0.72 -0.13 -1.01 0.00 0.00 177.57 176.62 1x4c s ARG 59 N -5.33 2.73 0.54 4.17 1.81 -1.26 -4.97 118.95 116.63 1x4c s ARG 59 Ca -0.07 -1.06 0.44 0.00 -1.72 0.00 0.00 55.73 53.32 1x4c s ARG 59 Cb 0.20 -3.09 1.65 0.00 -0.45 0.00 0.00 34.95 33.26 1x4c s ARG 59 CO 0.75 -0.48 1.65 -0.22 -0.68 0.00 0.00 175.30 176.32 1x4c h LYS 60 N 8.03 0.01 -0.46 3.54 3.64 -1.87 0.64 116.57 130.11 1x4c h LYS 60 Ca -0.29 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1x4c h LYS 60 Cb 1.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1x4c h LYS 60 CO 0.56 0.01 0.26 0.93 -2.27 0.00 0.00 179.45 178.94 1x4c h GLU 61 N 0.01 0.50 0.00 1.90 5.08 -1.93 -1.13 114.58 119.01 1x4c h GLU 61 Ca 0.82 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 59.09 1x4c h GLU 61 Cb 3.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 32.33 1x4c h GLU 61 CO -0.06 0.33 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.56 1x4c h ASP 62 N 0.51 0.00 0.49 1.42 3.32 0.06 -2.13 116.42 120.09 1x4c h ASP 62 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1x4c h ASP 62 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1x4c h ASP 62 CO -0.11 0.28 -0.24 -0.03 -1.72 0.00 0.00 179.24 177.42 1x4c h MET 63 N 0.00 -0.64 -0.55 3.56 4.05 -1.13 -0.30 114.93 119.92 1x4c h MET 63 Ca -0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 1x4c h MET 63 Cb 0.51 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.43 1x4c h MET 63 CO 0.04 -0.43 0.38 1.15 0.23 0.00 0.00 176.91 178.28 1x4c h THR 64 N -1.10 0.79 -0.04 -0.77 2.02 -1.25 -1.00 112.91 111.57 1x4c h THR 64 Ca -0.07 -0.05 -0.21 0.00 0.77 0.00 0.00 66.41 66.85 1x4c h THR 64 Cb 0.51 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1x4c h THR 64 CO 0.11 0.03 -0.78 0.22 0.37 0.00 0.00 175.52 175.47 1x4c h TYR 65 N 0.15 0.87 -0.83 3.16 3.20 -1.39 -3.11 116.97 119.02 1x4c h TYR 65 Ca 0.26 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1x4c h TYR 65 Cb 0.82 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1x4c h TYR 65 CO -0.00 1.26 0.53 0.00 -1.64 0.00 0.00 178.16 178.32 1x4c h ALA 66 N 0.41 1.06 0.00 1.82 0.00 0.23 0.20 119.26 122.99 1x4c h ALA 66 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x4c h ALA 66 Cb 1.45 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x4c h ALA 66 CO 0.16 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.23 1x4c n VAL 67 N -4.48 0.84 -0.11 0.00 0.24 -0.68 0.20 118.33 114.34 1x4c n VAL 67 Ca 0.09 0.28 -0.20 0.00 -2.04 0.00 0.00 64.34 62.47 1x4c n VAL 67 Cb 0.03 -1.23 -0.08 0.00 -1.47 0.00 0.00 33.84 31.09 1x4c n VAL 67 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x4c n ARG 68 N -2.28 0.55 -0.01 7.34 1.74 -0.35 -4.36 116.66 119.29 1x4c n ARG 68 Ca 0.02 0.40 -0.21 0.00 -0.77 0.00 0.00 57.85 57.29 1x4c n ARG 68 Cb 0.21 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 29.92 1x4c n ARG 68 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4c n LYS 69 N -4.40 0.75 -2.55 5.56 4.76 0.57 -4.43 118.16 118.42 1x4c n LYS 69 Ca -0.33 0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 1x4c n LYS 69 Cb 0.66 -1.69 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1x4c n LYS 69 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x4c n LEU 70 N -3.45 7.43 -3.58 -0.35 4.77 0.54 -4.87 117.00 117.50 1x4c n LEU 70 Ca -0.34 -5.30 -0.25 0.00 -0.03 0.00 0.00 56.01 50.10 1x4c n LEU 70 Cb 1.04 -1.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1x4c n LEU 70 CO 0.41 2.03 -0.31 -0.62 -1.33 0.00 0.00 177.39 177.57 1x4c s ASP 71 N -1.08 2.31 0.00 -1.43 -1.08 -1.08 -4.25 116.67 110.06 1x4c s ASP 71 Ca 0.41 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.81 1x4c s ASP 71 Cb 0.18 -0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1x4c s ASP 71 CO -0.11 -0.36 0.00 -3.20 0.52 0.00 0.00 175.17 172.02 1x4c n ASN 72 N 5.28 -1.40 -4.82 -0.34 5.15 0.40 -4.86 115.26 114.67 1x4c n ASN 72 Ca -0.07 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.70 1x4c n ASN 72 Cb 0.48 -0.44 -0.04 0.00 -0.53 0.00 0.00 39.78 39.25 1x4c n ASN 72 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1x4c s THR 73 N -2.52 3.58 -0.52 -0.44 -4.23 -0.98 -4.77 115.64 105.75 1x4c s THR 73 Ca 0.00 -1.44 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1x4c s THR 73 Cb 0.00 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1x4c s THR 73 CO 0.00 -0.21 1.20 -0.75 -0.54 0.00 0.00 174.62 174.32 1x4c s LYS 74 N -3.94 3.59 -0.08 3.99 2.20 -1.26 -0.77 119.74 123.47 1x4c s LYS 74 Ca 0.39 0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 56.29 1x4c s LYS 74 Cb -0.06 -3.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.24 1x4c s LYS 74 CO 0.26 -1.56 0.40 0.12 -0.36 0.00 0.00 175.35 174.20 1x4c s PHE 75 N 4.85 3.59 -0.12 4.03 5.36 0.13 -4.80 117.98 131.03 1x4c s PHE 75 Ca 0.47 0.86 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1x4c s PHE 75 Cb -0.08 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1x4c s PHE 75 CO 0.29 0.39 -0.06 0.50 -1.46 0.00 0.00 175.22 174.88 1x4c s ARG 76 N -0.14 3.26 0.51 10.12 3.52 -1.26 -0.02 118.95 134.93 1x4c s ARG 76 Ca 0.23 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 1x4c s ARG 76 Cb -0.15 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1x4c s ARG 76 CO 0.10 0.43 0.76 0.45 -0.81 0.00 0.00 175.30 176.22 1x4c s SER 77 N -0.16 5.68 0.45 -2.12 0.15 0.69 -4.92 113.70 113.48 1x4c s SER 77 Ca 0.02 0.38 0.30 0.00 0.70 0.00 0.00 55.95 57.36 1x4c s SER 77 Cb -0.13 -1.51 1.64 0.00 -1.71 0.00 0.00 66.02 64.31 1x4c s SER 77 CO 0.03 -0.87 1.92 1.12 1.20 0.00 0.00 173.24 176.63 1x4c h HIS 78 N 0.17 0.00 0.00 3.44 2.07 -1.89 0.20 115.15 119.15 1x4c h HIS 78 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1x4c h HIS 78 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1x4c h HIS 78 CO 0.45 0.00 -0.11 0.39 -3.07 0.00 0.00 177.93 175.59 1x4c n GLU 79 N -2.56 0.10 -0.21 5.12 -0.58 -1.26 -4.90 120.64 116.35 1x4c n GLU 79 Ca -0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1x4c n GLU 79 Cb 0.06 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 1.43 0.78 3.79 0.62 0.00 0.71 -5.07 105.19 107.45 1x4c n GLY 80 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1x4c n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4c s GLU 81 N -0.79 4.21 0.12 1.61 2.02 -1.25 -4.83 118.70 119.78 1x4c s GLU 81 Ca 0.00 0.67 0.04 0.00 0.02 0.00 0.00 54.97 55.70 1x4c s GLU 81 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1x4c s GLU 81 CO 0.00 0.53 0.10 0.95 0.02 0.00 0.00 175.26 176.86 1x4c s THR 82 N -0.70 4.48 -0.29 3.63 -4.23 -1.26 -0.22 115.64 117.05 1x4c s THR 82 Ca 0.29 -0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1x4c s THR 82 Cb -0.18 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.58 1x4c s THR 82 CO 0.17 0.02 0.98 0.00 -0.54 0.00 0.00 174.62 175.25 1x4c s ALA 83 N -1.54 -2.23 0.05 3.99 0.00 0.97 -4.95 121.76 118.04 1x4c s ALA 83 Ca 0.30 2.17 -0.31 0.00 0.00 0.00 0.00 51.96 54.12 1x4c s ALA 83 Cb -0.11 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 1x4c s ALA 83 CO 0.22 -0.33 1.40 0.71 0.00 0.00 0.00 175.76 177.76 1x4c s TYR 84 N 1.21 3.00 0.18 0.00 2.02 -1.26 0.18 117.35 122.68 1x4c s TYR 84 Ca -0.08 0.86 0.11 0.00 -0.37 0.00 0.00 57.07 57.60 1x4c s TYR 84 Cb -0.04 -3.67 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 1x4c s TYR 84 CO -0.14 -2.44 -0.24 0.96 -1.57 0.00 0.00 175.55 172.12 1x4c s ILE 85 N 1.87 2.37 -0.07 2.71 -4.36 0.05 -4.53 121.20 119.25 1x4c s ILE 85 Ca 0.64 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.08 1x4c s ILE 85 Cb -0.34 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 1x4c s ILE 85 CO 0.28 -0.09 -0.16 -0.60 0.24 0.00 0.00 174.94 174.62 1x4c s ARG 86 N -2.60 2.74 -0.03 0.37 6.06 -0.58 -0.45 118.95 124.46 1x4c s ARG 86 Ca 0.20 -0.73 0.06 0.00 -2.50 0.00 0.00 55.73 52.76 1x4c s ARG 86 Cb -0.08 -2.40 -0.01 0.00 0.06 0.00 0.00 34.95 32.51 1x4c s ARG 86 CO 0.09 0.48 -0.21 0.08 -2.50 0.00 0.00 175.30 173.24 1x4c s VAL 87 N -0.35 1.65 0.06 7.11 1.01 -1.26 -1.79 120.40 126.83 1x4c s VAL 87 Ca 0.03 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1x4c s VAL 87 Cb -0.12 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1x4c s VAL 87 CO 0.02 0.47 0.37 -1.59 0.00 0.00 0.00 175.10 174.37 1x4c s LYS 88 N -0.35 0.91 -0.23 2.72 0.00 -1.12 -4.73 119.74 116.94 1x4c s LYS 88 Ca 0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 55.97 55.24 1x4c s LYS 88 Cb -0.09 0.40 -0.02 0.00 0.00 0.00 0.00 37.83 38.12 1x4c s LYS 88 CO 0.00 -0.31 1.46 0.54 0.00 0.00 0.00 175.35 177.04 1x4c s VAL 89 N -2.77 3.92 0.75 1.79 0.11 -1.26 -1.01 120.40 121.93 1x4c s VAL 89 Ca -0.03 1.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.91 1x4c s VAL 89 Cb -0.00 -3.89 -0.08 0.00 -1.53 0.00 0.00 36.38 30.88 1x4c s VAL 89 CO -0.05 -0.32 0.11 -0.67 -3.33 0.00 0.00 175.10 170.84 1x4c n ASP 90 N 7.83 -2.78 0.00 3.54 2.03 0.14 -4.83 116.55 122.48 1x4c n ASP 90 Ca 0.17 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1x4c n ASP 90 Cb 0.45 -1.04 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1x4c n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4c n GLY 91 N 2.19 0.56 3.70 0.27 0.00 -1.26 -4.96 105.19 105.69 1x4c n GLY 91 Ca 0.07 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1x4c n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4c s PRO 92 N -0.59 4.30 0.25 1.61 0.04 -1.26 -5.02 135.00 134.33 1x4c s PRO 92 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 1x4c s PRO 92 Cb 0.00 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1x4c s PRO 92 CO 0.00 -0.52 0.51 0.50 0.04 0.00 0.00 177.00 177.53 1x4c s ARG 93 N 1.85 3.65 0.58 4.56 3.52 -1.26 -4.93 118.95 126.92 1x4c s ARG 93 Ca 0.65 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1x4c s ARG 93 Cb -0.34 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1x4c s ARG 93 CO 0.29 0.28 0.00 0.43 -0.81 0.00 0.00 175.30 175.49 1x4c n SER 94 N -0.64 -8.93 -4.77 -2.12 7.64 -1.26 -4.90 113.62 98.63 1x4c n SER 94 Ca -0.02 1.58 -0.33 0.00 1.01 0.00 0.00 58.87 61.11 1x4c n SER 94 Cb 0.53 -5.27 0.04 0.00 -1.01 0.00 0.00 64.21 58.51 1x4c n SER 94 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x4c s PRO 95 N -4.35 2.92 0.18 1.43 0.04 -1.26 -5.06 135.00 128.89 1x4c s PRO 95 Ca 0.00 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.58 1x4c s PRO 95 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x4c s PRO 95 CO 0.00 -1.17 -0.16 0.45 0.04 0.00 0.00 177.00 176.16 1x4c s SER 96 N -2.40 3.88 0.00 6.66 0.15 -1.26 -5.13 113.70 115.59 1x4c s SER 96 Ca 0.68 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x4c s SER 96 Cb -0.21 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1x4c s SER 96 CO 0.38 0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.94 1x4c n TYR 97 N 0.23 0.00 -1.15 3.44 9.36 -1.26 -5.15 117.16 122.62 1x4c n TYR 97 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1x4c n TYR 97 Cb 0.55 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 1x4c n TYR 97 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x4c n GLY 98 N -0.02 -1.44 0.00 2.98 0.00 -1.26 -5.07 105.19 100.38 1x4c n GLY 98 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1x4c n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x4c n ARG 99 N -0.16 0.00 0.00 1.61 0.00 -1.26 -5.03 116.66 111.82 1x4c n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x4c n ARG 99 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1x4c n ARG 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x4c n SER 100 N -1.06 0.00 -4.44 2.89 2.88 -1.26 -4.90 113.62 107.72 1x4c n SER 100 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1x4c n SER 100 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1x4c n SER 100 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x4c s ARG 101 N 0.00 2.65 0.25 -1.46 3.52 -1.26 -5.09 118.95 117.56 1x4c s ARG 101 Ca 0.00 -0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 54.58 1x4c s ARG 101 Cb 0.00 -2.40 -0.11 0.00 -1.56 0.00 0.00 34.95 30.88 1x4c s ARG 101 CO 0.00 0.54 1.61 -1.12 -0.81 0.00 0.00 175.30 175.52 1x4c s SER 102 N -0.51 6.43 -0.26 -2.12 0.01 -1.26 -4.98 113.70 111.00 1x4c s SER 102 Ca 0.07 2.86 -0.06 0.00 1.31 0.00 0.00 55.95 60.13 1x4c s SER 102 Cb -0.12 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1x4c s SER 102 CO 0.01 -0.90 0.03 -0.55 0.41 0.00 0.00 173.24 172.25 1x4c s SER 103 N 0.74 4.85 -0.49 2.44 0.15 -1.26 -5.02 113.70 115.11 1x4c s SER 103 Ca 0.67 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1x4c s SER 103 Cb -0.47 -1.84 0.19 0.00 -1.71 0.00 0.00 66.02 62.18 1x4c s SER 103 CO 0.41 -0.09 0.73 -0.83 1.20 0.00 0.00 173.24 174.66 1x4c s GLY 104 N 1.52 -1.29 0.50 9.45 0.00 -1.26 -5.16 107.32 111.08 1x4c s GLY 104 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 1x4c s GLY 104 CO 0.01 3.69 0.44 -1.55 0.00 0.00 0.00 173.10 175.69 1x4c n PRO 105 N 3.18 -1.87 0.00 2.90 -0.04 -1.26 -5.05 135.00 132.86 1x4c n PRO 105 Ca 0.17 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1x4c n PRO 105 Cb 0.57 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 1x4c n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x4c n SER 106 N -3.75 0.00 -4.94 3.54 3.41 -1.26 -4.97 113.62 105.64 1x4c n SER 106 Ca 0.06 0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 58.76 1x4c n SER 106 Cb 0.24 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1x4c n SER 106 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4c s SER 107 N -2.76 5.60 0.00 4.04 1.04 -1.26 -5.35 113.70 115.01 1x4c s SER 107 Ca 0.00 0.38 0.18 0.00 0.48 0.00 0.00 55.95 56.99 1x4c s SER 107 Cb 0.00 -1.45 0.14 0.00 0.10 0.00 0.00 66.02 64.81 1x4c s SER 107 CO 0.00 -0.94 1.07 0.61 0.98 0.00 0.00 173.24 174.96