#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 -7.57 -3.62 1.61 7.64 -1.26 -5.06 113.62 105.37 1x4c n SER 2 Ca 0.00 1.46 -0.05 0.00 1.01 0.00 0.00 58.87 61.29 1x4c n SER 2 Cb 0.00 -4.89 -0.04 0.00 -1.01 0.00 0.00 64.21 58.27 1x4c n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4c s SER 3 N -6.95 -0.16 -0.56 6.43 0.01 -1.26 -5.10 113.70 106.12 1x4c s SER 3 Ca 0.00 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1x4c s SER 3 Cb 0.00 0.13 -0.11 0.00 0.21 0.00 0.00 66.02 66.25 1x4c s SER 3 CO 0.00 -0.16 2.42 0.61 0.41 0.00 0.00 173.24 176.52 1x4c n GLY 4 N 0.53 0.16 3.26 3.44 0.00 -1.26 -4.89 105.19 106.43 1x4c n GLY 4 Ca -0.03 0.85 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 1x4c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4c s SER 5 N 10.03 0.99 0.44 1.61 0.15 -1.26 -5.12 113.70 120.54 1x4c s SER 5 Ca 1.10 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1x4c s SER 5 Cb -0.61 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1x4c s SER 5 CO 0.38 -0.91 0.00 -0.24 1.20 0.00 0.00 173.24 173.66 1x4c n SER 6 N -0.82 -6.82 0.00 5.45 2.88 -1.26 -4.72 113.62 108.33 1x4c n SER 6 Ca 0.03 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1x4c n SER 6 Cb 0.65 -4.21 0.00 0.00 -0.75 0.00 0.00 64.21 59.90 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 -3.96 -1.43 0.00 0.46 0.00 -1.26 -5.04 105.19 93.96 1x4c n GLY 7 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.67 3.77 -0.02 0.00 -1.26 -5.16 105.19 101.86 1x4c n GLY 8 Ca 0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.01 3.42 1.09 1.61 0.04 -1.26 -5.04 135.00 134.86 1x4c s PRO 9 Ca 0.00 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 1x4c s PRO 9 Cb 0.00 -2.07 0.24 0.00 0.04 0.00 0.00 34.50 32.71 1x4c s PRO 9 CO 0.00 -0.80 1.10 -1.25 0.04 0.00 0.00 177.00 176.09 1x4c s PRO 10 N -3.20 -0.35 0.32 0.56 0.04 -1.26 -4.89 135.00 126.23 1x4c s PRO 10 Ca 0.71 0.24 0.08 0.00 0.04 0.00 0.00 61.00 62.07 1x4c s PRO 10 Cb -0.24 -1.67 0.91 0.00 0.04 0.00 0.00 34.50 33.53 1x4c s PRO 10 CO 0.28 -3.19 1.61 1.03 0.04 0.00 0.00 177.00 176.77 1x4c h SER 11 N -2.22 -0.00 -5.25 6.66 0.87 -1.96 -3.42 113.55 108.22 1x4c h SER 11 Ca -0.51 0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1x4c h SER 11 Cb 1.32 0.31 -0.11 0.00 -0.44 0.00 0.00 62.40 63.48 1x4c h SER 11 CO 0.48 -0.27 -0.23 -0.13 -0.53 0.00 0.00 176.83 176.14 1x4c s ARG 12 N -5.83 1.29 0.00 2.24 1.81 -1.26 -5.02 118.95 112.18 1x4c s ARG 12 Ca -0.11 -1.17 0.21 0.00 -1.72 0.00 0.00 55.73 52.93 1x4c s ARG 12 Cb 0.29 0.42 1.23 0.00 -0.45 0.00 0.00 34.95 36.43 1x4c s ARG 12 CO 0.78 -0.50 1.76 -2.13 -0.68 0.00 0.00 175.30 174.52 1x4c n ARG 13 N -0.28 0.95 -3.73 3.54 0.00 -1.26 -4.77 116.66 111.11 1x4c n ARG 13 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.66 1x4c n ARG 13 Cb 0.63 -1.34 -0.09 0.00 0.00 0.00 0.00 32.46 31.66 1x4c n ARG 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1x4c s SER 14 N -1.69 -0.32 -0.23 6.15 0.01 -1.26 -5.00 113.70 111.35 1x4c s SER 14 Ca 0.31 0.42 0.13 0.00 1.31 0.00 0.00 55.95 58.12 1x4c s SER 14 Cb 0.14 0.53 0.55 0.00 0.21 0.00 0.00 66.02 67.44 1x4c s SER 14 CO 0.24 -0.34 1.48 -0.62 0.41 0.00 0.00 173.24 174.41 1x4c n GLU 15 N 1.85 2.63 -2.97 12.44 1.02 -1.26 -4.93 120.64 129.43 1x4c n GLU 15 Ca -0.18 -2.97 -0.11 0.00 -0.02 0.00 0.00 57.16 53.87 1x4c n GLU 15 Cb 0.57 -1.88 0.04 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.69 -3.72 -4.42 1.62 5.03 -1.26 -4.78 115.26 107.04 1x4c n ASN 16 Ca 0.28 -0.27 -0.34 0.00 0.87 0.00 0.00 54.58 55.12 1x4c n ASN 16 Cb 1.00 -2.71 -0.13 0.00 -1.02 0.00 0.00 39.78 36.92 1x4c n ASN 16 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1x4c s ARG 17 N -5.45 3.52 0.16 3.52 3.52 -1.26 -1.44 118.95 121.52 1x4c s ARG 17 Ca 0.23 -0.59 0.09 0.00 -0.13 0.00 0.00 55.73 55.34 1x4c s ARG 17 Cb -0.10 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1x4c s ARG 17 CO 0.35 0.11 -0.16 0.14 -0.81 0.00 0.00 175.30 174.93 1x4c s VAL 18 N 0.69 2.86 0.10 7.11 -7.23 0.64 -0.54 120.40 124.02 1x4c s VAL 18 Ca -0.03 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1x4c s VAL 18 Cb -0.15 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1x4c s VAL 18 CO 0.02 -0.02 0.32 -0.69 -0.31 0.00 0.00 175.10 174.43 1x4c s VAL 19 N -1.45 5.23 -0.04 1.32 1.01 0.72 -1.88 120.40 125.31 1x4c s VAL 19 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1x4c s VAL 19 Cb -0.09 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1x4c s VAL 19 CO 0.12 0.13 -0.11 -0.69 0.00 0.00 0.00 175.10 174.54 1x4c s VAL 20 N -1.55 1.02 0.31 2.92 1.01 0.45 -2.21 120.40 122.34 1x4c s VAL 20 Ca 0.37 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1x4c s VAL 20 Cb -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1x4c s VAL 20 CO 0.24 0.32 0.09 -0.94 0.00 0.00 0.00 175.10 174.80 1x4c s SER 21 N 0.39 1.87 -0.77 3.32 1.04 -0.75 -0.14 113.70 118.67 1x4c s SER 21 Ca -0.08 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 54.90 1x4c s SER 21 Cb -0.12 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1x4c s SER 21 CO 0.02 -0.72 0.15 0.61 0.98 0.00 0.00 173.24 174.28 1x4c n GLY 22 N -0.62 0.06 3.83 7.32 0.00 -0.58 -1.66 105.19 113.54 1x4c n GLY 22 Ca -0.01 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.08 4.34 1.01 0.99 1.43 0.22 -4.13 118.68 119.46 1x4c s LEU 23 Ca 0.08 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1x4c s LEU 23 Cb -0.03 -3.41 0.20 0.00 0.03 0.00 0.00 46.19 42.98 1x4c s LEU 23 CO 0.09 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.68 1x4c s PRO 24 N -1.97 0.33 0.02 1.29 0.04 -1.26 -4.14 135.00 129.30 1x4c s PRO 24 Ca 0.40 0.49 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 1x4c s PRO 24 Cb -0.16 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 1x4c s PRO 24 CO 0.20 -2.80 1.32 -1.00 0.04 0.00 0.00 177.00 174.77 1x4c h PRO 25 N -1.94 0.25 0.00 0.56 0.13 -1.99 -3.14 132.00 125.87 1x4c h PRO 25 Ca -0.55 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 1x4c h PRO 25 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x4c h PRO 25 CO 0.58 0.66 -0.04 0.77 -0.23 0.00 0.00 178.00 179.74 1x4c h SER 26 N -0.16 0.00 -1.91 1.44 0.02 -2.01 -3.46 113.55 107.47 1x4c h SER 26 Ca 0.02 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.32 1x4c h SER 26 Cb 0.61 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.24 1x4c h SER 26 CO 0.02 0.04 0.12 0.61 -1.14 0.00 0.00 176.83 176.48 1x4c n GLY 27 N 0.48 -0.28 3.14 -3.77 0.00 -1.19 -4.93 105.19 98.65 1x4c n GLY 27 Ca 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 1x4c n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4c s SER 28 N -0.28 1.38 0.27 1.61 1.04 -1.26 -4.93 113.70 111.53 1x4c s SER 28 Ca 0.69 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x4c s SER 28 Cb -0.84 -0.01 0.63 0.00 0.10 0.00 0.00 66.02 65.90 1x4c s SER 28 CO 0.55 -0.15 1.67 4.11 0.98 0.00 0.00 173.24 180.40 1x4c h TRP 29 N 4.22 0.41 -0.78 5.02 5.08 -1.92 0.63 115.95 128.61 1x4c h TRP 29 Ca -0.39 0.05 0.21 0.00 1.08 0.00 0.00 58.89 59.84 1x4c h TRP 29 Cb 1.19 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 27.27 1x4c h TRP 29 CO 0.64 -0.12 0.55 1.96 -1.28 0.00 0.00 178.44 180.19 1x4c h GLN 30 N 0.28 0.10 0.02 0.12 4.20 -1.96 -0.60 115.11 117.28 1x4c h GLN 30 Ca 0.51 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 59.00 1x4c h GLN 30 Cb 0.96 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1x4c h GLN 30 CO -0.57 0.07 -1.14 -0.44 -0.67 0.00 0.00 178.83 176.07 1x4c h ASP 31 N 0.10 0.06 -0.39 1.46 5.19 -0.25 -3.30 116.42 119.30 1x4c h ASP 31 Ca 0.38 -0.64 0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1x4c h ASP 31 Cb 1.35 -0.02 -0.09 0.00 0.18 0.00 0.00 39.33 40.75 1x4c h ASP 31 CO -0.04 1.46 -0.27 0.25 -3.12 0.00 0.00 179.24 177.51 1x4c h LEU 32 N -0.87 -0.91 -1.35 1.55 5.85 -0.34 0.10 115.31 119.35 1x4c h LEU 32 Ca -0.30 0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1x4c h LEU 32 Cb 1.35 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1x4c h LEU 32 CO -0.14 -0.29 0.51 0.50 -0.34 0.00 0.00 178.44 178.69 1x4c h LYS 33 N -0.21 0.72 0.00 1.25 3.64 -1.32 0.18 116.57 120.83 1x4c h LYS 33 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1x4c h LYS 33 Cb 0.50 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1x4c h LYS 33 CO -0.51 0.47 -0.03 0.22 -2.27 0.00 0.00 179.45 177.34 1x4c h ASP 34 N 0.74 0.00 0.40 4.20 1.82 -0.89 -1.05 116.42 121.64 1x4c h ASP 34 Ca 0.35 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.69 1x4c h ASP 34 Cb 0.40 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 1x4c h ASP 34 CO -0.13 0.03 -1.83 1.57 -1.61 0.00 0.00 179.24 177.27 1x4c n HIS 35 N -3.24 0.83 0.18 0.28 -0.00 0.53 -4.05 115.22 109.75 1x4c n HIS 35 Ca -0.02 0.30 0.07 0.00 0.46 0.00 0.00 57.72 58.53 1x4c n HIS 35 Cb 0.18 -1.15 0.18 0.00 -0.12 0.00 0.00 29.99 29.08 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 -1.26 1.57 2.86 -0.65 -3.27 114.93 114.18 1x4c h MET 36 Ca -0.33 0.00 0.40 0.00 -2.06 0.00 0.00 59.70 57.71 1x4c h MET 36 Cb 2.05 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 33.59 1x4c h MET 36 CO 0.07 0.32 0.81 0.00 1.06 0.00 0.00 176.91 179.17 1x4c h ARG 37 N 0.00 0.14 -0.97 1.72 3.08 -1.36 0.19 114.38 117.19 1x4c h ARG 37 Ca -0.00 -0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.35 1x4c h ARG 37 Cb 1.12 -0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.97 1x4c h ARG 37 CO 0.04 0.09 0.27 0.93 -1.07 0.00 0.00 179.97 180.23 1x4c h GLU 38 N 0.14 0.08 -0.76 0.04 3.07 -1.82 1.02 114.58 116.35 1x4c h GLU 38 Ca 0.78 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.59 1x4c h GLU 38 Cb 2.36 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 30.22 1x4c h GLU 38 CO -0.40 0.05 0.31 0.00 -1.40 0.00 0.00 179.01 177.57 1x4c h ALA 39 N 1.93 1.11 0.00 3.43 0.00 -0.89 -3.49 119.26 121.35 1x4c h ALA 39 Ca 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x4c h ALA 39 Cb 1.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x4c h ALA 39 CO -0.79 0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1x4c n GLY 40 N -0.93 -0.76 3.55 0.00 0.00 0.35 -4.55 105.19 102.86 1x4c n GLY 40 Ca 0.07 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 4.32 -0.08 1.61 1.11 -1.26 -4.60 116.67 113.77 1x4c s ASP 41 Ca 0.00 -0.32 -0.02 0.00 0.18 0.00 0.00 52.55 52.39 1x4c s ASP 41 Cb 0.00 -0.86 -0.03 0.00 1.07 0.00 0.00 42.92 43.10 1x4c s ASP 41 CO 0.00 0.23 0.01 -0.69 1.18 0.00 0.00 175.17 175.90 1x4c s VAL 42 N -1.07 4.35 -0.05 -1.27 1.01 -1.26 -3.13 120.40 118.97 1x4c s VAL 42 Ca 0.18 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1x4c s VAL 42 Cb -0.11 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 1x4c s VAL 42 CO 0.10 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.82 1x4c s TYR 44 N -2.23 -0.19 -0.08 0.00 5.04 -1.00 -4.95 117.35 113.95 1x4c s TYR 44 Ca -0.03 0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 55.03 1x4c s TYR 44 Cb 0.02 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.40 1x4c s TYR 44 CO 0.27 -0.11 0.19 0.00 -1.34 0.00 0.00 175.55 174.55 1x4c s ALA 45 N 0.40 -0.42 -0.24 3.97 0.00 -1.26 -1.36 121.76 122.85 1x4c s ALA 45 Ca -0.03 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 1x4c s ALA 45 Cb -0.04 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1x4c s ALA 45 CO -0.02 -0.14 0.86 0.34 0.00 0.00 0.00 175.76 176.80 1x4c s ASP 46 N 0.80 -0.59 0.04 0.00 2.15 -0.92 -4.99 116.67 113.16 1x4c s ASP 46 Ca -0.06 1.06 0.06 0.00 0.43 0.00 0.00 52.55 54.03 1x4c s ASP 46 Cb -0.07 1.04 -0.02 0.00 -0.30 0.00 0.00 42.92 43.57 1x4c s ASP 46 CO -0.04 -0.26 -0.16 0.68 -0.17 0.00 0.00 175.17 175.22 1x4c s VAL 47 N 0.03 1.28 0.22 1.11 -7.23 -1.26 -0.60 120.40 113.95 1x4c s VAL 47 Ca -0.00 -1.03 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1x4c s VAL 47 Cb -0.04 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 1x4c s VAL 47 CO -0.01 0.09 0.20 -0.31 -0.31 0.00 0.00 175.10 174.76 1x4c s TYR 48 N -0.79 3.17 -0.72 2.82 1.51 0.22 -4.94 117.35 118.62 1x4c s TYR 48 Ca 0.04 -0.07 -0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1x4c s TYR 48 Cb -0.08 -1.46 -0.19 0.00 -0.11 0.00 0.00 41.96 40.13 1x4c s TYR 48 CO 0.01 0.51 3.33 0.54 -1.11 0.00 0.00 175.55 178.83 1x4c n ARG 49 N -0.94 2.76 -0.38 -0.62 1.74 -1.26 -3.36 116.66 114.61 1x4c n ARG 49 Ca -0.08 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1x4c n ARG 49 Cb 0.57 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 2.94 0.00 -0.58 0.55 8.00 -1.26 -5.00 116.55 121.21 1x4c n ASP 50 Ca 0.59 -1.22 -0.05 0.00 0.71 0.00 0.00 54.79 54.82 1x4c n ASP 50 Cb 0.61 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.18 3.28 0.44 0.00 -1.21 -4.89 105.19 102.99 1x4c n GLY 51 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.25 0.83 0.22 2.61 -4.23 -1.25 -0.61 115.64 110.95 1x4c s THR 52 Ca 0.00 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 1x4c s THR 52 Cb 0.00 -2.24 0.06 0.00 1.34 0.00 0.00 72.50 71.65 1x4c s THR 52 CO 0.00 -0.38 0.90 -0.83 -0.54 0.00 0.00 174.62 173.77 1x4c s GLY 53 N -3.24 -0.05 -0.07 3.99 0.00 0.80 -0.61 107.32 108.14 1x4c s GLY 53 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 1x4c s GLY 53 CO 0.07 0.40 0.15 -1.34 0.00 0.00 0.00 173.10 172.37 1x4c s VAL 54 N -3.06 -0.07 0.03 1.40 -7.23 0.23 -0.41 120.40 111.28 1x4c s VAL 54 Ca 0.14 0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.56 1x4c s VAL 54 Cb -0.03 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1x4c s VAL 54 CO 0.05 0.08 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.08 1x4c s VAL 55 N 1.30 1.20 -0.23 1.32 1.01 -0.79 -2.17 120.40 122.04 1x4c s VAL 55 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1x4c s VAL 55 Cb -0.12 -1.06 0.06 0.00 0.00 0.00 0.00 36.38 35.26 1x4c s VAL 55 CO -0.06 0.12 -0.07 -0.70 0.00 0.00 0.00 175.10 174.39 1x4c s GLU 56 N -0.92 1.77 -0.23 2.72 2.12 -0.46 -0.26 118.70 123.43 1x4c s GLU 56 Ca 0.04 -1.03 -0.29 0.00 0.36 0.00 0.00 54.97 54.04 1x4c s GLU 56 Cb -0.07 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1x4c s GLU 56 CO 0.01 -0.57 1.13 -0.06 -0.54 0.00 0.00 175.26 175.22 1x4c s PHE 57 N 1.35 3.13 0.47 5.30 0.08 -0.52 -0.36 117.98 127.43 1x4c s PHE 57 Ca -0.06 1.26 0.31 0.00 0.12 0.00 0.00 56.93 58.56 1x4c s PHE 57 Cb -0.19 -3.43 1.41 0.00 -0.57 0.00 0.00 43.02 40.24 1x4c s PHE 57 CO -0.06 -0.96 1.72 -0.24 -0.10 0.00 0.00 175.22 175.58 1x4c h VAL 58 N 5.53 0.33 -3.70 -0.44 3.04 -1.83 -3.32 116.25 115.86 1x4c h VAL 58 Ca -0.22 -0.05 -0.68 0.00 -1.01 0.00 0.00 66.70 64.74 1x4c h VAL 58 Cb 1.08 0.17 -0.32 0.00 -2.01 0.00 0.00 31.29 30.21 1x4c h VAL 58 CO 0.99 0.03 -0.70 -0.13 -1.01 0.00 0.00 177.57 176.74 1x4c s ARG 59 N -5.19 2.58 0.30 4.17 0.52 -1.26 -4.99 118.95 115.08 1x4c s ARG 59 Ca -0.07 -1.17 0.04 0.00 -0.52 0.00 0.00 55.73 54.01 1x4c s ARG 59 Cb 0.26 -3.18 0.79 0.00 0.52 0.00 0.00 34.95 33.34 1x4c s ARG 59 CO 0.82 -0.56 1.61 -0.22 0.02 0.00 0.00 175.30 176.96 1x4c h LYS 60 N 8.04 0.11 -0.87 3.54 3.64 -1.93 0.40 116.57 129.49 1x4c h LYS 60 Ca -0.24 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.36 1x4c h LYS 60 Cb 1.08 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.73 1x4c h LYS 60 CO 0.55 0.07 0.22 1.49 -2.27 0.00 0.00 179.45 179.52 1x4c h GLU 61 N 0.11 0.20 0.00 1.90 4.57 -1.94 0.93 114.58 120.36 1x4c h GLU 61 Ca 0.60 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.68 1x4c h GLU 61 Cb 1.27 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1x4c h GLU 61 CO -0.76 0.13 -0.41 -0.44 -1.18 0.00 0.00 179.01 176.35 1x4c h ASP 62 N 0.21 0.00 0.46 1.04 3.32 -0.44 -2.91 116.42 118.09 1x4c h ASP 62 Ca 0.54 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.57 1x4c h ASP 62 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1x4c h ASP 62 CO -0.65 0.41 -0.22 -0.03 -1.72 0.00 0.00 179.24 177.03 1x4c h MET 63 N 0.00 -0.59 0.00 3.56 4.05 0.11 -1.68 114.93 120.38 1x4c h MET 63 Ca -0.00 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1x4c h MET 63 Cb 0.76 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1x4c h MET 63 CO 0.05 -0.39 0.30 1.15 0.23 0.00 0.00 176.91 178.25 1x4c h THR 64 N -0.96 0.00 0.18 -0.77 2.02 -1.21 0.12 112.91 112.30 1x4c h THR 64 Ca -0.06 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.77 1x4c h THR 64 Cb 0.47 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1x4c h THR 64 CO 0.10 0.00 -1.73 0.22 0.37 0.00 0.00 175.52 174.49 1x4c h TYR 65 N 0.00 0.70 -0.77 3.16 3.20 -1.41 -3.29 116.97 118.56 1x4c h TYR 65 Ca 0.00 -0.51 -0.04 0.00 3.14 0.00 0.00 58.73 61.32 1x4c h TYR 65 Cb 0.59 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1x4c h TYR 65 CO 0.00 1.65 0.34 0.00 -1.64 0.00 0.00 178.16 178.50 1x4c h ALA 66 N 0.16 1.13 0.00 1.82 0.00 0.21 0.16 119.26 122.74 1x4c h ALA 66 Ca -0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1x4c h ALA 66 Cb 2.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1x4c h ALA 66 CO 0.18 0.64 0.00 -0.39 0.00 0.00 0.00 179.25 179.68 1x4c h VAL 67 N 1.11 0.00 0.00 0.00 -1.51 -1.58 0.97 116.25 115.24 1x4c h VAL 67 Ca 0.26 -0.26 -0.22 0.00 -1.23 0.00 0.00 66.70 65.25 1x4c h VAL 67 Cb 0.17 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 1x4c h VAL 67 CO -0.03 0.00 -1.56 0.54 -1.23 0.00 0.00 177.57 175.30 1x4c n ARG 68 N -2.34 0.55 -0.03 5.19 1.74 -0.59 -4.33 116.66 116.85 1x4c n ARG 68 Ca 0.02 0.36 -0.22 0.00 -0.77 0.00 0.00 57.85 57.24 1x4c n ARG 68 Cb 0.24 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 1x4c n ARG 68 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1x4c h LYS 69 N -1.00 0.18 -2.15 5.56 1.79 -0.77 -3.38 116.57 116.80 1x4c h LYS 69 Ca -0.34 -0.31 -0.65 0.00 -2.18 0.00 0.00 60.65 57.17 1x4c h LYS 69 Cb 1.22 0.12 -0.20 0.00 -1.58 0.00 0.00 32.23 31.79 1x4c h LYS 69 CO -0.21 1.15 1.03 1.28 -1.08 0.00 0.00 179.45 181.63 1x4c n LEU 70 N -3.85 7.15 -3.80 2.94 4.77 0.33 -4.85 117.00 119.69 1x4c n LEU 70 Ca -0.31 -4.57 -0.29 0.00 -0.03 0.00 0.00 56.01 50.81 1x4c n LEU 70 Cb 0.91 -1.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.63 1x4c n LEU 70 CO 0.35 1.84 -0.38 -0.62 -1.33 0.00 0.00 177.39 177.26 1x4c s ASP 71 N -0.18 3.46 0.00 -1.43 2.15 -0.99 -4.24 116.67 115.44 1x4c s ASP 71 Ca 0.54 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 52.41 1x4c s ASP 71 Cb 0.33 -0.85 0.00 0.00 -0.30 0.00 0.00 42.92 42.10 1x4c s ASP 71 CO -0.23 -0.31 0.00 -3.20 -0.17 0.00 0.00 175.17 171.26 1x4c n ASN 72 N 4.88 -1.99 -4.61 -0.34 2.85 -0.35 -4.86 115.26 110.83 1x4c n ASN 72 Ca -0.08 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.15 1x4c n ASN 72 Cb 0.45 -0.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.89 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 -3.00 3.27 -0.36 -0.44 -4.23 -0.93 -4.82 115.64 105.13 1x4c s THR 73 Ca 0.00 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 1x4c s THR 73 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1x4c s THR 73 CO 0.00 -0.35 1.41 -0.75 -0.54 0.00 0.00 174.62 174.39 1x4c s LYS 74 N -3.56 3.69 -0.01 3.99 2.47 -1.26 -1.08 119.74 123.97 1x4c s LYS 74 Ca 0.30 1.11 -0.11 0.00 -1.56 0.00 0.00 55.97 55.72 1x4c s LYS 74 Cb -0.06 -3.99 -0.05 0.00 -1.46 0.00 0.00 37.83 32.27 1x4c s LYS 74 CO 0.19 -1.42 0.33 0.12 0.16 0.00 0.00 175.35 174.73 1x4c s PHE 75 N 5.14 3.65 -0.01 4.03 5.36 0.85 -4.84 117.98 132.17 1x4c s PHE 75 Ca 0.61 0.80 0.07 0.00 -0.96 0.00 0.00 56.93 57.46 1x4c s PHE 75 Cb -0.16 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1x4c s PHE 75 CO 0.29 0.64 -0.23 0.50 -1.46 0.00 0.00 175.22 174.96 1x4c s ARG 76 N -1.31 2.11 0.43 10.12 3.52 -1.26 0.03 118.95 132.59 1x4c s ARG 76 Ca 0.24 -0.93 0.08 0.00 -0.13 0.00 0.00 55.73 54.99 1x4c s ARG 76 Cb -0.15 -2.10 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 1x4c s ARG 76 CO 0.12 0.56 0.54 -1.54 -0.81 0.00 0.00 175.30 174.17 1x4c s SER 77 N -0.83 5.51 0.49 -2.12 1.04 -0.34 -4.89 113.70 112.56 1x4c s SER 77 Ca 0.11 -0.51 0.16 0.00 0.48 0.00 0.00 55.95 56.19 1x4c s SER 77 Cb -0.10 -0.60 1.20 0.00 0.10 0.00 0.00 66.02 66.61 1x4c s SER 77 CO 0.00 -0.76 2.08 1.12 0.98 0.00 0.00 173.24 176.66 1x4c h HIS 78 N 0.70 0.15 0.00 5.02 2.07 -1.91 0.12 115.15 121.30 1x4c h HIS 78 Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 1x4c h HIS 78 Cb 1.28 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1x4c h HIS 78 CO 0.43 0.08 0.00 0.93 -3.07 0.00 0.00 177.93 176.30 1x4c h GLU 79 N 0.15 0.00 0.00 5.12 4.39 -1.94 -3.46 114.58 118.84 1x4c h GLU 79 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1x4c h GLU 79 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1x4c h GLU 79 CO -0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 1x4c n GLY 80 N 0.02 2.31 3.65 -3.84 0.00 0.41 -5.07 105.19 102.67 1x4c n GLY 80 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1x4c n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4c n GLU 81 N -0.41 1.34 -4.41 1.61 1.02 -1.26 -4.57 120.64 113.97 1x4c n GLU 81 Ca 0.00 0.49 -0.24 0.00 -0.02 0.00 0.00 57.16 57.39 1x4c n GLU 81 Cb 0.00 -2.23 -0.09 0.00 -0.02 0.00 0.00 31.44 29.10 1x4c n GLU 81 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x4c s THR 82 N -1.35 2.80 -0.29 2.62 -4.23 -1.26 -1.19 115.64 112.72 1x4c s THR 82 Ca 0.69 -2.21 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 1x4c s THR 82 Cb -0.47 -2.47 0.17 0.00 1.34 0.00 0.00 72.50 71.07 1x4c s THR 82 CO 0.52 -0.37 1.11 0.00 -0.54 0.00 0.00 174.62 175.35 1x4c s ALA 83 N -2.38 -2.42 0.08 3.99 0.00 0.10 -4.96 121.76 116.17 1x4c s ALA 83 Ca 0.30 2.08 -0.31 0.00 0.00 0.00 0.00 51.96 54.03 1x4c s ALA 83 Cb -0.06 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 1x4c s ALA 83 CO 0.16 -0.32 1.36 0.71 0.00 0.00 0.00 175.76 177.67 1x4c s TYR 84 N 1.11 3.19 0.16 0.00 2.02 -1.26 -0.11 117.35 122.46 1x4c s TYR 84 Ca -0.07 0.99 0.11 0.00 -0.37 0.00 0.00 57.07 57.72 1x4c s TYR 84 Cb -0.03 -3.63 -0.04 0.00 -0.40 0.00 0.00 41.96 37.86 1x4c s TYR 84 CO -0.12 -2.18 -0.24 0.96 -1.57 0.00 0.00 175.55 172.39 1x4c s ILE 85 N 1.40 2.18 -0.07 2.71 -4.36 -0.24 -4.52 121.20 118.29 1x4c s ILE 85 Ca 0.63 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.17 1x4c s ILE 85 Cb -0.34 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1x4c s ILE 85 CO 0.29 -0.06 -0.12 -0.60 0.24 0.00 0.00 174.94 174.69 1x4c s ARG 86 N -2.38 2.78 -0.02 0.37 6.06 -0.66 -1.21 118.95 123.89 1x4c s ARG 86 Ca 0.16 -0.65 0.07 0.00 -2.50 0.00 0.00 55.73 52.81 1x4c s ARG 86 Cb -0.09 -2.50 -0.02 0.00 0.06 0.00 0.00 34.95 32.40 1x4c s ARG 86 CO 0.07 0.54 -0.24 0.08 -2.50 0.00 0.00 175.30 173.25 1x4c s VAL 87 N -0.49 1.88 0.05 7.11 1.01 -1.26 -1.81 120.40 126.89 1x4c s VAL 87 Ca 0.07 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1x4c s VAL 87 Cb -0.12 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.73 1x4c s VAL 87 CO 0.02 0.53 0.39 -1.59 0.00 0.00 0.00 175.10 174.45 1x4c s LYS 88 N -0.55 0.91 -0.16 2.72 0.00 -0.94 -4.71 119.74 117.02 1x4c s LYS 88 Ca 0.09 -0.43 -0.29 0.00 0.00 0.00 0.00 55.97 55.33 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 -0.01 -0.31 1.26 0.54 0.00 0.00 0.00 175.35 176.83 1x4c s VAL 89 N -2.64 4.27 0.41 1.79 0.11 -1.26 -0.20 120.40 122.89 1x4c s VAL 89 Ca -0.04 1.54 -0.23 0.00 -2.93 0.00 0.00 61.98 60.31 1x4c s VAL 89 Cb -0.00 -3.99 -0.12 0.00 -1.53 0.00 0.00 36.38 30.74 1x4c s VAL 89 CO -0.04 -0.12 0.79 -0.67 -3.33 0.00 0.00 175.10 171.73 1x4c n ASP 90 N 6.50 0.23 0.00 3.54 -0.08 0.30 -4.64 116.55 122.40 1x4c n ASP 90 Ca 0.14 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 1x4c n ASP 90 Cb 0.45 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.68 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 1.48 -1.47 3.67 0.27 0.00 -1.26 -4.92 105.19 102.95 1x4c n GLY 91 Ca 0.11 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 0.24 -0.25 1.61 0.04 -1.26 -5.06 135.00 130.31 1x4c s PRO 92 Ca 0.00 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 1x4c s PRO 92 Cb 0.00 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.90 1x4c s PRO 92 CO 0.00 -2.85 0.08 0.50 0.04 0.00 0.00 177.00 174.77 1x4c s ARG 93 N -4.98 0.55 0.72 4.56 3.52 -1.26 -4.97 118.95 117.08 1x4c s ARG 93 Ca 0.66 -0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 55.44 1x4c s ARG 93 Cb -0.18 -1.86 0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1x4c s ARG 93 CO 0.58 -0.84 1.24 -1.12 -0.81 0.00 0.00 175.30 174.35 1x4c s SER 94 N 1.84 4.21 0.00 -2.12 0.01 -1.26 -4.87 113.70 111.51 1x4c s SER 94 Ca 0.05 2.47 0.16 0.00 1.31 0.00 0.00 55.95 59.94 1x4c s SER 94 Cb -0.17 -2.60 0.91 0.00 0.21 0.00 0.00 66.02 64.37 1x4c s SER 94 CO -0.20 -2.26 1.35 -0.81 0.41 0.00 0.00 173.24 171.73 1x4c n PRO 95 N -2.53 0.45 -1.59 12.44 -0.04 -1.26 -4.83 135.00 137.64 1x4c n PRO 95 Ca 0.14 0.02 -0.59 0.00 -0.04 0.00 0.00 63.50 63.03 1x4c n PRO 95 Cb 0.49 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1x4c n PRO 95 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x4c n SER 96 N -1.04 1.83 0.28 3.54 3.41 -1.26 -4.86 113.62 115.51 1x4c n SER 96 Ca 0.11 0.91 -0.12 0.00 -0.26 0.00 0.00 58.87 59.51 1x4c n SER 96 Cb 0.06 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 62.89 1x4c n SER 96 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1x4c h TYR 97 N 8.02 -0.70 0.00 7.33 5.03 -2.04 -3.50 116.97 131.11 1x4c h TYR 97 Ca -0.36 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1x4c h TYR 97 Cb 1.35 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.86 1x4c h TYR 97 CO 0.82 -0.42 0.00 0.41 -1.32 0.00 0.00 178.16 177.65 1x4c n GLY 98 N -0.20 0.61 3.19 1.82 0.00 -1.26 -5.08 105.19 104.26 1x4c n GLY 98 Ca -0.10 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 1x4c n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4c s ARG 99 N -0.65 1.21 0.13 1.61 3.00 -1.26 -5.14 118.95 117.86 1x4c s ARG 99 Ca 0.00 -0.78 -0.22 0.00 -1.00 0.00 0.00 55.73 53.73 1x4c s ARG 99 Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 34.95 33.63 1x4c s ARG 99 CO 0.00 0.32 0.68 -1.12 0.00 0.00 0.00 175.30 175.18 1x4c s SER 100 N -0.95 7.23 0.04 -2.12 0.01 -1.26 -5.07 113.70 111.58 1x4c s SER 100 Ca 0.05 1.46 -0.08 0.00 1.31 0.00 0.00 55.95 58.70 1x4c s SER 100 Cb -0.08 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x4c s SER 100 CO 0.01 0.23 0.15 -0.60 0.41 0.00 0.00 173.24 173.44 1x4c s ARG 101 N -1.18 0.65 0.25 12.44 3.52 -1.26 -5.14 118.95 128.23 1x4c s ARG 101 Ca 0.33 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 1x4c s ARG 101 Cb -0.21 0.26 -0.10 0.00 -1.56 0.00 0.00 34.95 33.34 1x4c s ARG 101 CO 0.23 -0.18 1.47 -1.54 -0.81 0.00 0.00 175.30 174.47 1x4c s SER 102 N -2.14 6.61 -0.18 -2.12 1.04 -1.26 -4.99 113.70 110.66 1x4c s SER 102 Ca -0.05 2.70 -0.31 0.00 0.48 0.00 0.00 55.95 58.78 1x4c s SER 102 Cb -0.01 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.63 1x4c s SER 102 CO -0.04 -0.74 1.13 -0.94 0.98 0.00 0.00 173.24 173.62 1x4c s SER 103 N 0.46 -0.23 0.40 7.02 1.04 -1.26 -5.19 113.70 115.95 1x4c s SER 103 Ca 0.61 0.17 0.04 0.00 0.48 0.00 0.00 55.95 57.24 1x4c s SER 103 Cb -0.43 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1x4c s SER 103 CO 0.43 -0.27 0.07 -0.83 0.98 0.00 0.00 173.24 173.62 1x4c s GLY 104 N -1.50 2.52 -0.52 7.32 0.00 -1.26 -5.08 107.32 108.80 1x4c s GLY 104 Ca 0.04 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.08 1x4c s GLY 104 CO -0.03 -1.93 1.82 2.56 0.00 0.00 0.00 173.10 175.51 1x4c s PRO 105 N -3.80 2.88 -0.10 2.90 0.04 -1.26 -4.95 135.00 130.71 1x4c s PRO 105 Ca 0.25 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1x4c s PRO 105 Cb 0.05 -4.31 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1x4c s PRO 105 CO 0.13 -2.42 0.21 -1.12 0.04 0.00 0.00 177.00 173.83 1x4c s SER 106 N 7.30 0.06 -0.34 6.66 0.01 -1.26 -5.12 113.70 121.01 1x4c s SER 106 Ca 0.70 0.44 0.04 0.00 1.31 0.00 0.00 55.95 58.44 1x4c s SER 106 Cb -0.15 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.56 1x4c s SER 106 CO 0.25 -0.19 0.06 -0.55 0.41 0.00 0.00 173.24 173.22 1x4c s SER 107 N 1.62 4.80 0.00 2.44 0.15 -1.26 -5.20 113.70 116.25 1x4c s SER 107 Ca -0.05 -2.15 0.12 0.00 0.70 0.00 0.00 55.95 54.57 1x4c s SER 107 Cb -0.11 -1.64 0.74 0.00 -1.71 0.00 0.00 66.02 63.29 1x4c s SER 107 CO -0.07 -0.39 1.17 0.61 1.20 0.00 0.00 173.24 175.76