#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a n SER 2 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.15 113.62 116.46 1x4a n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x4a n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x4a n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4a n SER 3 N 0.00 0.00 -4.88 6.43 7.64 -1.26 -5.18 113.62 116.38 1x4a n SER 3 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1x4a n SER 3 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1x4a n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4a s GLY 4 N 0.00 1.34 0.08 0.23 0.00 -1.26 -5.12 107.32 102.58 1x4a s GLY 4 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 44.72 43.43 1x4a s GLY 4 CO 0.00 -1.38 -0.08 -1.35 0.00 0.00 0.00 173.10 170.28 1x4a s SER 5 N -3.89 4.50 -0.23 1.64 1.04 -1.26 -5.12 113.70 110.38 1x4a s SER 5 Ca 0.33 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.28 1x4a s SER 5 Cb -0.08 -0.92 0.06 0.00 0.10 0.00 0.00 66.02 65.18 1x4a s SER 5 CO 0.26 0.20 0.58 -0.55 0.98 0.00 0.00 173.24 174.71 1x4a s SER 6 N -2.03 -0.68 0.00 7.02 0.15 -1.26 -5.15 113.70 111.75 1x4a s SER 6 Ca 0.21 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1x4a s SER 6 Cb -0.11 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1x4a s SER 6 CO 0.13 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x4a n GLY 7 N 3.51 1.83 3.43 9.45 0.00 -1.26 -5.00 105.19 117.15 1x4a n GLY 7 Ca -0.17 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 1x4a n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4a s MET 8 N -1.44 3.10 -1.27 1.61 1.00 -1.26 -4.96 119.30 116.07 1x4a s MET 8 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 55.69 54.57 1x4a s MET 8 Cb 0.00 -4.24 0.09 0.00 0.00 0.00 0.00 34.83 30.68 1x4a s MET 8 CO 0.00 -1.75 1.66 0.45 0.00 0.00 0.00 175.02 175.37 1x4a s SER 9 N 3.67 6.89 0.00 3.03 0.15 -1.26 -4.48 113.70 121.71 1x4a s SER 9 Ca 0.20 -2.56 0.00 0.00 0.70 0.00 0.00 55.95 54.28 1x4a s SER 9 Cb -0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1x4a s SER 9 CO 0.09 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1x4a n GLY 10 N 5.11 1.34 0.00 9.45 0.00 -1.26 -5.10 105.19 114.73 1x4a n GLY 10 Ca 0.45 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x4a n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 11 N 0.00 4.03 2.75 -0.02 0.00 -1.26 -5.11 105.19 105.58 1x4a n GLY 11 Ca 0.00 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 1x4a n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4a s GLY 12 N 0.00 0.13 -0.18 -0.02 0.00 -1.26 -5.12 107.32 100.87 1x4a s GLY 12 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 1x4a s GLY 12 CO 0.00 1.64 0.73 0.54 0.00 0.00 0.00 173.10 176.01 1x4a s VAL 13 N 2.24 4.96 0.58 1.40 0.11 -1.26 -5.04 120.40 123.39 1x4a s VAL 13 Ca 0.04 1.41 -0.15 0.00 -2.93 0.00 0.00 61.98 60.35 1x4a s VAL 13 Cb -0.13 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 1x4a s VAL 13 CO -0.06 0.08 1.03 -0.51 -3.33 0.00 0.00 175.10 172.32 1x4a s ILE 14 N 1.95 4.10 0.21 7.04 2.07 -1.26 -4.93 121.20 130.38 1x4a s ILE 14 Ca 0.34 0.94 -0.28 0.00 -1.41 0.00 0.00 60.65 60.24 1x4a s ILE 14 Cb -0.16 -3.51 -0.17 0.00 0.13 0.00 0.00 42.46 38.75 1x4a s ILE 14 CO 0.12 -0.64 0.50 -2.11 -1.91 0.00 0.00 174.94 170.89 1x4a n ARG 15 N -2.08 0.00 -4.01 3.50 1.85 -1.26 -4.95 116.66 109.71 1x4a n ARG 15 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.69 1x4a n ARG 15 Cb 0.53 -1.00 -0.03 0.00 -1.05 0.00 0.00 32.46 30.91 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x4a s GLY 16 N -1.00 1.51 0.02 2.89 0.00 -1.26 -5.04 107.32 104.45 1x4a s GLY 16 Ca 0.64 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.96 1x4a s GLY 16 CO 0.56 -1.21 1.14 -0.56 0.00 0.00 0.00 173.10 173.03 1x4a h PRO 17 N 1.81 0.44 -4.69 2.90 0.13 -2.05 -3.49 132.00 127.05 1x4a h PRO 17 Ca -0.49 -0.43 -0.13 0.00 -0.87 0.00 0.00 66.00 64.08 1x4a h PRO 17 Cb 1.21 0.11 0.10 0.00 0.13 0.00 0.00 31.00 32.56 1x4a h PRO 17 CO 0.64 1.08 -0.44 0.00 -0.23 0.00 0.00 178.00 179.05 1x4a n ALA 18 N -2.57 -1.97 -2.70 -0.56 0.00 -1.26 -4.90 120.51 106.55 1x4a n ALA 18 Ca -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1x4a n ALA 18 Cb 0.65 -3.35 0.08 0.00 0.00 0.00 0.00 19.45 16.83 1x4a n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4a n GLY 19 N -1.37 -0.83 3.44 0.00 0.00 -1.26 -5.10 105.19 100.07 1x4a n GLY 19 Ca -0.04 0.58 -0.47 0.00 0.00 0.00 0.00 46.02 46.10 1x4a n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4a n ASN 20 N 1.10 1.20 -3.15 1.61 4.13 -1.26 -4.76 115.26 114.14 1x4a n ASN 20 Ca 0.02 0.23 0.06 0.00 1.68 0.00 0.00 54.58 56.57 1x4a n ASN 20 Cb 0.70 -1.12 -0.00 0.00 -1.54 0.00 0.00 39.78 37.82 1x4a n ASN 20 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1x4a s ASN 21 N 8.46 -0.03 0.00 6.41 2.47 -1.26 -5.13 114.94 125.86 1x4a s ASN 21 Ca 1.19 0.01 0.00 0.00 0.42 0.00 0.00 52.86 54.48 1x4a s ASN 21 Cb -1.03 1.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 1x4a s ASN 21 CO 0.49 -0.01 0.00 -0.90 -3.72 0.00 0.00 177.10 172.96 1x4a n ASP 22 N 5.06 0.00 -0.08 -4.21 5.68 -1.26 -5.05 116.55 116.68 1x4a n ASP 22 Ca 0.09 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.28 1x4a n ASP 22 Cb 0.58 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.41 1x4a n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x4a s ARG 24 N -2.51 4.39 -0.02 0.00 1.70 -1.26 -3.11 118.95 118.14 1x4a s ARG 24 Ca -0.10 0.70 0.06 0.00 -0.47 0.00 0.00 55.73 55.92 1x4a s ARG 24 Cb 0.06 -3.44 -0.03 0.00 -0.57 0.00 0.00 34.95 30.98 1x4a s ARG 24 CO 0.82 0.12 -0.19 0.96 -1.08 0.00 0.00 175.30 175.93 1x4a s ILE 25 N 0.67 2.67 -0.17 4.99 -4.36 0.67 -4.52 121.20 121.15 1x4a s ILE 25 Ca 0.32 -0.96 -0.08 0.00 -0.26 0.00 0.00 60.65 59.68 1x4a s ILE 25 Cb -0.17 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 1x4a s ILE 25 CO 0.15 0.53 0.09 -0.47 0.24 0.00 0.00 174.94 175.48 1x4a s TYR 26 N -0.74 3.36 -0.10 1.37 6.14 -0.61 -0.04 117.35 126.73 1x4a s TYR 26 Ca 0.12 0.25 -0.01 0.00 0.64 0.00 0.00 57.07 58.07 1x4a s TYR 26 Cb -0.10 -2.05 -0.03 0.00 0.42 0.00 0.00 41.96 40.20 1x4a s TYR 26 CO 0.01 0.34 -0.06 0.08 0.64 0.00 0.00 175.55 176.56 1x4a s VAL 27 N -0.04 3.71 0.32 3.14 1.01 -0.21 -1.32 120.40 127.02 1x4a s VAL 27 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1x4a s VAL 27 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1x4a s VAL 27 CO 0.00 0.56 0.13 -0.83 0.00 0.00 0.00 175.10 174.96 1x4a s GLY 28 N -0.29 2.12 -1.11 4.51 0.00 0.73 -2.76 107.32 110.51 1x4a s GLY 28 Ca 0.04 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 42.98 1x4a s GLY 28 CO 0.02 -1.67 0.91 0.70 0.00 0.00 0.00 173.10 173.06 1x4a n ASN 29 N -0.89 -5.07 -4.87 1.64 3.02 -1.26 0.22 115.26 108.05 1x4a n ASN 29 Ca -0.01 -0.73 -0.21 0.00 -0.03 0.00 0.00 54.58 53.59 1x4a n ASN 29 Cb 0.65 -4.91 -0.04 0.00 -0.61 0.00 0.00 39.78 34.88 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x4a s LEU 30 N -5.82 3.89 0.79 3.41 1.43 -1.24 -3.83 118.68 117.32 1x4a s LEU 30 Ca 0.33 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1x4a s LEU 30 Cb -0.05 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1x4a s LEU 30 CO 0.76 -0.11 1.10 -2.16 0.23 0.00 0.00 176.35 176.16 1x4a s PRO 31 N -3.91 2.12 0.35 1.29 0.04 -1.26 -4.28 135.00 129.35 1x4a s PRO 31 Ca 0.35 0.65 0.18 0.00 0.04 0.00 0.00 61.00 62.22 1x4a s PRO 31 Cb -0.08 -1.92 0.48 0.00 0.04 0.00 0.00 34.50 33.02 1x4a s PRO 31 CO 0.26 -1.60 1.64 -1.00 0.04 0.00 0.00 177.00 176.34 1x4a h PRO 32 N -1.07 0.00 -1.85 0.56 0.13 -1.99 -3.22 132.00 124.56 1x4a h PRO 32 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 1x4a h PRO 32 Cb 1.27 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 1x4a h PRO 32 CO 0.59 0.41 0.14 -0.25 -0.23 0.00 0.00 178.00 178.66 1x4a n ASP 33 N -3.39 6.04 -4.93 1.44 8.00 -1.26 -5.02 116.55 117.43 1x4a n ASP 33 Ca 0.01 -3.76 -0.27 0.00 0.71 0.00 0.00 54.79 51.48 1x4a n ASP 33 Cb 0.58 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1x4a s ILE 34 N -5.15 5.14 -0.04 0.53 1.10 -1.22 -5.10 121.20 116.45 1x4a s ILE 34 Ca 0.49 -0.31 0.04 0.00 -0.51 0.00 0.00 60.65 60.36 1x4a s ILE 34 Cb 0.39 -3.77 0.00 0.00 0.15 0.00 0.00 42.46 39.23 1x4a s ILE 34 CO -0.27 -0.30 -0.15 -0.13 -2.11 0.00 0.00 174.94 171.98 1x4a s ARG 35 N -3.62 1.59 0.42 3.50 1.81 -1.26 -5.01 118.95 116.38 1x4a s ARG 35 Ca 0.40 -0.51 0.18 0.00 -1.72 0.00 0.00 55.73 54.08 1x4a s ARG 35 Cb -0.11 -1.38 1.09 0.00 -0.45 0.00 0.00 34.95 34.10 1x4a s ARG 35 CO 0.31 0.18 1.86 1.15 -0.68 0.00 0.00 175.30 178.12 1x4a h THR 36 N 5.41 0.69 0.33 0.02 2.02 -1.98 0.53 112.91 119.92 1x4a h THR 36 Ca -0.32 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1x4a h THR 36 Cb 1.18 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1x4a h THR 36 CO 0.48 0.07 -0.16 0.50 0.37 0.00 0.00 175.52 176.78 1x4a h LYS 37 N 0.40 -0.43 -1.05 6.66 1.63 -1.98 -0.35 116.57 121.44 1x4a h LYS 37 Ca 0.45 0.03 0.28 0.00 -0.85 0.00 0.00 60.65 60.56 1x4a h LYS 37 Cb 1.14 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 32.77 1x4a h LYS 37 CO -0.17 -0.11 0.67 -0.44 -3.45 0.00 0.00 179.45 175.96 1x4a h ASP 38 N -0.93 0.45 0.48 4.20 5.19 -1.67 1.52 116.42 125.67 1x4a h ASP 38 Ca -0.05 0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 1x4a h ASP 38 Cb 0.52 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1x4a h ASP 38 CO 0.08 0.07 -0.70 0.40 -3.12 0.00 0.00 179.24 175.96 1x4a h ILE 39 N 0.38 1.44 0.40 0.35 2.04 -0.83 -3.00 117.51 118.29 1x4a h ILE 39 Ca 0.61 -2.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1x4a h ILE 39 Cb 1.56 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1x4a h ILE 39 CO -0.32 0.66 -0.19 -0.08 0.00 0.00 0.00 178.15 178.22 1x4a h GLU 40 N 0.13 -0.52 -0.95 2.37 4.81 0.39 -2.94 114.58 117.86 1x4a h GLU 40 Ca -0.02 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.47 1x4a h GLU 40 Cb 1.25 0.12 -0.18 0.00 0.63 0.00 0.00 28.75 30.57 1x4a h GLU 40 CO 0.11 -0.35 -0.10 0.22 -0.73 0.00 0.00 179.01 178.16 1x4a h ASP 41 N -0.65 -0.66 -0.24 1.04 3.58 -1.09 1.51 116.42 119.91 1x4a h ASP 41 Ca -0.06 0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1x4a h ASP 41 Cb 0.41 0.52 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1x4a h ASP 41 CO 0.09 -0.32 -0.21 0.58 -2.88 0.00 0.00 179.24 176.51 1x4a h VAL 42 N 0.01 0.00 -0.29 2.25 2.07 -1.47 0.28 116.25 119.10 1x4a h VAL 42 Ca 0.51 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.95 1x4a h VAL 42 Cb 0.92 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1x4a h VAL 42 CO -0.93 0.00 -0.17 -0.26 0.02 0.00 0.00 177.57 176.23 1x4a h PHE 43 N -0.08 0.56 0.00 1.57 0.04 -0.66 -2.37 116.94 116.00 1x4a h PHE 43 Ca 0.04 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1x4a h PHE 43 Cb 0.19 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1x4a h PHE 43 CO -0.79 0.66 0.36 -0.92 -0.60 0.00 0.00 178.31 177.02 1x4a h TYR 44 N 0.47 0.00 0.00 -0.55 5.03 0.39 0.44 116.97 122.74 1x4a h TYR 44 Ca 0.08 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1x4a h TYR 44 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1x4a h TYR 44 CO 0.02 0.00 0.00 1.57 -1.32 0.00 0.00 178.16 178.43 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 2.10 -0.54 -2.93 116.57 117.01 1x4a h LYS 45 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1x4a h LYS 45 Cb 0.73 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.04 1x4a h LYS 45 CO 0.00 0.00 -1.34 0.66 -2.00 0.00 0.00 179.45 176.77 1x4a n TYR 46 N -2.39 0.05 0.00 0.07 4.01 0.15 -5.11 117.16 113.94 1x4a n TYR 46 Ca -0.02 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x4a n TYR 46 Cb 0.04 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4a n GLY 47 N 1.42 3.73 3.49 2.72 0.00 -1.11 -5.13 105.19 110.30 1x4a n GLY 47 Ca -0.23 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1x4a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4a s ALA 48 N -1.46 2.74 -0.08 4.61 0.00 -1.26 -4.43 121.76 121.88 1x4a s ALA 48 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 51.96 50.04 1x4a s ALA 48 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1x4a s ALA 48 CO 0.00 0.15 -0.19 0.42 0.00 0.00 0.00 175.76 176.14 1x4a s ILE 49 N -2.63 2.57 0.02 0.00 1.01 -1.26 -4.09 121.20 116.81 1x4a s ILE 49 Ca 0.30 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1x4a s ILE 49 Cb -0.01 -2.01 -0.21 0.00 0.01 0.00 0.00 42.46 40.25 1x4a s ILE 49 CO 0.15 0.56 1.16 -0.09 0.00 0.00 0.00 174.94 176.71 1x4a h ARG 50 N 6.18 0.43 -1.63 2.79 2.43 -1.04 -3.48 114.38 120.06 1x4a h ARG 50 Ca -0.31 -0.40 0.19 0.00 -0.81 0.00 0.00 59.98 58.65 1x4a h ARG 50 Cb 1.19 0.10 -0.19 0.00 -0.42 0.00 0.00 29.97 30.64 1x4a h ARG 50 CO 0.50 1.05 0.71 0.34 -1.51 0.00 0.00 179.97 181.06 1x4a s ASP 51 N -6.65 -0.22 -0.21 -3.80 2.15 -1.24 -5.01 116.67 101.70 1x4a s ASP 51 Ca -0.13 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 52.91 1x4a s ASP 51 Cb 0.04 0.21 0.06 0.00 -0.30 0.00 0.00 42.92 42.93 1x4a s ASP 51 CO 0.81 -0.32 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.84 1x4a s ILE 52 N -2.24 1.16 -0.40 4.11 1.01 -1.26 -0.93 121.20 122.65 1x4a s ILE 52 Ca 0.07 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1x4a s ILE 52 Cb -0.01 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1x4a s ILE 52 CO -0.05 -0.09 0.36 -1.81 0.00 0.00 0.00 174.94 173.35 1x4a s ASP 53 N 1.57 6.15 -0.17 3.58 1.11 -0.52 -4.91 116.67 123.47 1x4a s ASP 53 Ca -0.03 -0.71 -0.02 0.00 0.18 0.00 0.00 52.55 51.97 1x4a s ASP 53 Cb -0.18 -2.19 -0.01 0.00 1.07 0.00 0.00 42.92 41.61 1x4a s ASP 53 CO -0.07 -0.48 -0.09 -0.22 1.18 0.00 0.00 175.17 175.50 1x4a s LEU 54 N 1.90 2.81 0.00 1.23 2.96 -1.26 0.16 118.68 126.48 1x4a s LEU 54 Ca 0.09 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1x4a s LEU 54 Cb -0.18 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1x4a s LEU 54 CO 0.12 0.08 0.27 0.29 -1.32 0.00 0.00 176.35 175.79 1x4a n LYS 55 N 4.13 0.00 -2.14 1.98 4.01 -0.35 -4.98 118.16 120.81 1x4a n LYS 55 Ca -0.18 0.25 -0.03 0.00 -0.51 0.00 0.00 58.31 57.83 1x4a n LYS 55 Cb 0.52 -0.93 -0.03 0.00 -0.51 0.00 0.00 35.03 34.08 1x4a n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1x4a n ASN 56 N -1.25 -1.40 0.00 4.39 5.15 -1.26 -5.02 115.26 115.88 1x4a n ASN 56 Ca 0.00 0.85 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 1x4a n ASN 56 Cb 0.00 -3.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1x4a n ARG 57 N 1.05 0.00 -1.64 1.20 0.63 -1.26 -5.09 116.66 111.55 1x4a n ARG 57 Ca -0.24 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.18 1x4a n ARG 57 Cb 0.38 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.23 1x4a n ARG 57 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1x4a n ARG 58 N -0.38 1.51 0.00 -0.14 0.63 -1.26 -4.51 116.66 112.51 1x4a n ARG 58 Ca 0.00 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1x4a n ARG 58 Cb 0.00 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.66 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x4a n GLY 59 N 3.25 -0.02 4.34 5.14 0.00 -1.26 -5.11 105.19 111.53 1x4a n GLY 59 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1x4a n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 60 N 0.00 -0.97 3.79 -0.02 0.00 -1.26 -4.94 105.19 101.79 1x4a n GLY 60 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1x4a n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 61 N 0.00 1.54 -0.02 1.61 0.04 -1.26 -4.91 135.00 132.00 1x4a s PRO 61 Ca 0.00 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1x4a s PRO 61 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1x4a s PRO 61 CO 0.00 -1.95 1.20 -1.25 0.04 0.00 0.00 177.00 175.04 1x4a s PRO 62 N -5.23 4.38 0.21 0.56 0.04 -1.26 -4.89 135.00 128.81 1x4a s PRO 62 Ca 0.62 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.48 1x4a s PRO 62 Cb -0.15 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 1x4a s PRO 62 CO 0.54 -0.38 -0.21 -0.59 0.04 0.00 0.00 177.00 176.40 1x4a s PHE 63 N 1.83 2.13 0.15 0.56 -0.71 -1.26 -3.70 117.98 116.99 1x4a s PHE 63 Ca 0.57 -0.39 -0.19 0.00 -1.04 0.00 0.00 56.93 55.88 1x4a s PHE 63 Cb -0.26 -1.02 0.05 0.00 -1.21 0.00 0.00 43.02 40.58 1x4a s PHE 63 CO 0.25 0.50 0.49 0.00 -1.34 0.00 0.00 175.22 175.12 1x4a s ALA 64 N -2.08 -1.18 -0.28 1.99 0.00 -1.11 -1.21 121.76 117.89 1x4a s ALA 64 Ca 0.22 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 1x4a s ALA 64 Cb -0.06 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.89 1x4a s ALA 64 CO 0.10 -0.71 -0.05 -0.06 0.00 0.00 0.00 175.76 175.04 1x4a s PHE 65 N -3.79 3.21 -0.12 0.00 0.40 0.42 -1.04 117.98 117.05 1x4a s PHE 65 Ca 0.03 -1.91 -0.20 0.00 -0.60 0.00 0.00 56.93 54.25 1x4a s PHE 65 Cb 0.00 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1x4a s PHE 65 CO -0.11 -0.81 0.56 0.08 0.70 0.00 0.00 175.22 175.64 1x4a s VAL 66 N 1.23 5.13 -0.06 -0.44 1.01 0.94 -1.44 120.40 126.77 1x4a s VAL 66 Ca -0.05 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1x4a s VAL 66 Cb -0.19 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1x4a s VAL 66 CO -0.03 0.27 -0.01 -0.70 0.00 0.00 0.00 175.10 174.63 1x4a s GLU 67 N 0.88 2.89 0.27 2.72 2.12 -0.10 -0.24 118.70 127.24 1x4a s GLU 67 Ca 0.29 -0.49 0.10 0.00 0.36 0.00 0.00 54.97 55.24 1x4a s GLU 67 Cb -0.16 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1x4a s GLU 67 CO 0.12 0.68 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.43 1x4a s PHE 68 N -0.93 2.64 0.16 5.30 0.08 -1.18 -0.45 117.98 123.59 1x4a s PHE 68 Ca 0.15 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1x4a s PHE 68 Cb -0.11 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1x4a s PHE 68 CO 0.04 0.64 1.37 0.93 -0.10 0.00 0.00 175.22 178.10 1x4a h GLU 69 N 1.94 0.26 -6.18 0.44 4.39 -1.91 -3.43 114.58 110.08 1x4a h GLU 69 Ca -0.44 -0.28 -0.56 0.00 0.34 0.00 0.00 59.36 58.43 1x4a h GLU 69 Cb 1.25 0.08 -0.20 0.00 -0.10 0.00 0.00 28.75 29.78 1x4a h GLU 69 CO 0.60 0.99 -0.81 -0.51 -1.16 0.00 0.00 179.01 178.11 1x4a s ASP 70 N -6.97 2.72 -0.01 1.42 1.01 -1.26 -5.06 116.67 108.53 1x4a s ASP 70 Ca -0.04 -0.76 -0.21 0.00 0.71 0.00 0.00 52.55 52.25 1x4a s ASP 70 Cb 0.10 -0.16 -0.22 0.00 1.01 0.00 0.00 42.92 43.65 1x4a s ASP 70 CO 0.84 0.04 1.11 1.55 0.21 0.00 0.00 175.17 178.92 1x4a h PRO 71 N 3.71 0.34 -0.56 8.23 0.13 -1.88 -2.78 132.00 139.19 1x4a h PRO 71 Ca -0.45 -0.33 0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1x4a h PRO 71 Cb 1.19 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1x4a h PRO 71 CO 0.44 1.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.81 1x4a h ARG 72 N -0.21 -0.09 0.15 0.86 3.08 -1.97 0.30 114.38 116.51 1x4a h ARG 72 Ca -0.05 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1x4a h ARG 72 Cb 1.13 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1x4a h ARG 72 CO 0.09 -0.06 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.26 1x4a h ASP 73 N -0.10 -0.63 -1.59 7.04 3.32 -1.99 0.72 116.42 123.20 1x4a h ASP 73 Ca 0.09 0.07 0.48 0.00 0.02 0.00 0.00 57.03 57.69 1x4a h ASP 73 Cb 0.33 0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 1x4a h ASP 73 CO -0.57 -0.32 1.10 0.00 -1.72 0.00 0.00 179.24 177.72 1x4a h ALA 74 N 0.30 3.28 0.17 3.45 0.00 -0.82 1.65 119.26 127.29 1x4a h ALA 74 Ca 0.02 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1x4a h ALA 74 Cb 0.45 0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1x4a h ALA 74 CO -0.10 -1.84 -1.16 0.93 0.00 0.00 0.00 179.25 177.07 1x4a h GLU 75 N 0.04 0.35 -0.31 0.00 5.08 0.15 -2.64 114.58 117.26 1x4a h GLU 75 Ca 0.84 -0.60 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1x4a h GLU 75 Cb 3.05 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 32.51 1x4a h GLU 75 CO -0.19 1.29 0.06 -0.44 -1.00 0.00 0.00 179.01 178.73 1x4a h ASP 76 N -0.20 0.41 0.34 1.42 3.32 0.40 1.04 116.42 123.15 1x4a h ASP 76 Ca -0.22 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1x4a h ASP 76 Cb 1.83 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1x4a h ASP 76 CO 0.16 0.43 -0.16 0.00 -1.72 0.00 0.00 179.24 177.95 1x4a h ALA 77 N 1.63 -0.46 -0.06 3.45 0.00 0.95 -2.56 119.26 122.21 1x4a h ALA 77 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1x4a h ALA 77 Cb 0.20 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x4a h ALA 77 CO -0.00 -0.53 -0.11 -0.24 0.00 0.00 0.00 179.25 178.37 1x4a h VAL 78 N -0.91 1.12 0.00 0.00 3.04 -1.23 1.50 116.25 119.78 1x4a h VAL 78 Ca -0.05 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1x4a h VAL 78 Cb 0.53 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1x4a h VAL 78 CO 0.08 0.16 0.00 1.88 -1.01 0.00 0.00 177.57 178.67 1x4a h TYR 79 N 0.09 0.00 0.00 3.17 -1.99 0.12 -2.88 116.97 115.48 1x4a h TYR 79 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1x4a h TYR 79 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1x4a h TYR 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1x4a n GLY 80 N -0.36 0.08 0.64 3.88 0.00 -0.01 -4.72 105.19 104.70 1x4a n GLY 80 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 46.02 46.51 1x4a n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 81 N -2.66 -0.00 -1.64 1.61 5.12 0.49 -3.90 116.66 115.68 1x4a n ARG 81 Ca 0.00 1.01 -0.25 0.00 -1.93 0.00 0.00 57.85 56.69 1x4a n ARG 81 Cb 0.00 -2.30 -0.05 0.00 -1.16 0.00 0.00 32.46 28.94 1x4a n ARG 81 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x4a s ASP 82 N -3.92 4.28 0.00 0.55 2.15 -1.09 -0.97 116.67 117.67 1x4a s ASP 82 Ca -0.05 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1x4a s ASP 82 Cb 0.25 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1x4a s ASP 82 CO 0.82 -3.32 0.00 0.61 -0.17 0.00 0.00 175.17 173.10 1x4a n GLY 83 N 6.45 1.44 3.85 2.66 0.00 -1.21 -4.85 105.19 113.53 1x4a n GLY 83 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1x4a n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x4a s TYR 84 N -2.00 3.59 -0.60 1.61 5.04 -0.15 -4.86 117.35 119.98 1x4a s TYR 84 Ca 0.00 1.05 -0.11 0.00 -2.44 0.00 0.00 57.07 55.57 1x4a s TYR 84 Cb 0.00 -2.37 0.15 0.00 0.35 0.00 0.00 41.96 40.10 1x4a s TYR 84 CO 0.00 0.41 0.50 0.16 -1.34 0.00 0.00 175.55 175.29 1x4a s ASP 85 N -1.77 6.04 -0.62 4.32 1.47 -1.26 0.12 116.67 124.97 1x4a s ASP 85 Ca 0.39 -2.21 -0.22 0.00 1.18 0.00 0.00 52.55 51.69 1x4a s ASP 85 Cb -0.15 -2.09 0.07 0.00 -0.34 0.00 0.00 42.92 40.41 1x4a s ASP 85 CO 0.19 -0.66 0.88 -0.47 0.68 0.00 0.00 175.17 175.79 1x4a s TYR 86 N 0.92 2.79 -1.40 2.11 6.14 0.11 -4.14 117.35 123.88 1x4a s TYR 86 Ca 0.10 -0.54 -0.07 0.00 0.64 0.00 0.00 57.07 57.19 1x4a s TYR 86 Cb -0.22 -4.13 0.04 0.00 0.42 0.00 0.00 41.96 38.06 1x4a s TYR 86 CO -0.02 -1.48 0.55 -3.47 0.64 0.00 0.00 175.55 171.77 1x4a n ASP 87 N 7.27 -4.81 0.00 4.32 -0.08 -1.26 -0.23 116.55 121.76 1x4a n ASP 87 Ca -0.04 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 1x4a n ASP 87 Cb 0.45 -3.93 0.00 0.00 2.34 0.00 0.00 41.12 39.98 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4a n GLY 88 N -1.34 3.08 3.58 0.27 0.00 -1.26 -5.00 105.19 104.52 1x4a n GLY 88 Ca -0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1x4a n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4a s TYR 89 N -1.52 1.81 -0.28 1.61 2.02 0.67 -4.92 117.35 116.75 1x4a s TYR 89 Ca 0.00 0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 57.12 1x4a s TYR 89 Cb 0.00 -4.13 -0.01 0.00 -0.40 0.00 0.00 41.96 37.42 1x4a s TYR 89 CO 0.00 -2.53 1.45 0.50 -1.57 0.00 0.00 175.55 173.40 1x4a s ARG 90 N 6.22 3.82 0.65 -0.62 3.52 -1.26 0.07 118.95 131.34 1x4a s ARG 90 Ca 0.72 1.40 -0.10 0.00 -0.13 0.00 0.00 55.73 57.61 1x4a s ARG 90 Cb -0.17 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.25 1x4a s ARG 90 CO 0.27 -1.25 1.03 -0.51 -0.81 0.00 0.00 175.30 174.04 1x4a s LEU 91 N 4.87 3.12 -0.32 -0.88 1.43 0.33 -4.72 118.68 122.51 1x4a s LEU 91 Ca 0.64 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1x4a s LEU 91 Cb -0.20 -4.13 0.10 0.00 0.03 0.00 0.00 46.19 42.00 1x4a s LEU 91 CO 0.27 -1.07 0.11 -0.60 0.23 0.00 0.00 176.35 175.29 1x4a s ARG 92 N -5.21 0.81 -0.16 1.70 3.52 0.13 -3.29 118.95 116.45 1x4a s ARG 92 Ca 0.56 -1.21 -0.13 0.00 -0.13 0.00 0.00 55.73 54.82 1x4a s ARG 92 Cb -0.11 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 1x4a s ARG 92 CO 0.52 -1.00 0.28 0.08 -0.81 0.00 0.00 175.30 174.36 1x4a s VAL 93 N 1.46 5.31 0.03 7.11 1.01 -1.26 -0.20 120.40 133.87 1x4a s VAL 93 Ca 0.11 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1x4a s VAL 93 Cb -0.18 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.66 1x4a s VAL 93 CO -0.22 0.41 0.67 -1.83 0.00 0.00 0.00 175.10 174.12 1x4a s GLU 94 N 0.37 1.12 0.45 2.72 -1.05 -0.43 -4.51 118.70 117.37 1x4a s GLU 94 Ca 0.16 -0.05 -0.21 0.00 -0.15 0.00 0.00 54.97 54.72 1x4a s GLU 94 Cb -0.13 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 33.99 1x4a s GLU 94 CO 0.04 -0.42 0.98 -0.06 0.95 0.00 0.00 175.26 176.75 1x4a s PHE 95 N -2.28 3.22 -0.05 4.83 0.08 -1.26 -1.58 117.98 120.94 1x4a s PHE 95 Ca -0.05 1.59 -0.30 0.00 0.12 0.00 0.00 56.93 58.29 1x4a s PHE 95 Cb -0.00 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 1x4a s PHE 95 CO -0.00 -0.35 1.22 -1.25 -0.10 0.00 0.00 175.22 174.74 1x4a s PRO 96 N -3.23 4.34 -0.18 0.24 0.04 -1.26 -4.41 135.00 130.54 1x4a s PRO 96 Ca 0.64 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1x4a s PRO 96 Cb -0.11 -3.56 0.05 0.00 0.04 0.00 0.00 34.50 30.91 1x4a s PRO 96 CO 0.16 -0.46 0.24 0.54 0.04 0.00 0.00 177.00 177.52 1x4a n ARG 97 N 5.24 -4.48 -4.48 4.56 1.74 -1.26 -5.05 116.66 112.93 1x4a n ARG 97 Ca 0.11 3.38 -0.25 0.00 -0.77 0.00 0.00 57.85 60.32 1x4a n ARG 97 Cb 0.46 -4.88 -0.10 0.00 -1.02 0.00 0.00 32.46 26.92 1x4a n ARG 97 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x4a s SER 98 N -0.64 3.85 0.00 0.55 0.01 -1.26 -4.95 113.70 111.25 1x4a s SER 98 Ca -0.28 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1x4a s SER 98 Cb 0.02 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1x4a s SER 98 CO 0.76 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.84 1x4a n GLY 99 N -0.82 -0.78 3.56 3.44 0.00 -1.26 -5.05 105.19 104.28 1x4a n GLY 99 Ca -0.05 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1x4a n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4a s ARG 100 N -0.80 -0.22 0.00 1.61 1.81 -1.26 -5.04 118.95 115.05 1x4a s ARG 100 Ca 0.00 1.05 0.00 0.00 -1.72 0.00 0.00 55.73 55.06 1x4a s ARG 100 Cb 0.00 -1.62 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 1x4a s ARG 100 CO 0.00 -3.32 0.00 0.41 -0.68 0.00 0.00 175.30 171.71 1x4a n GLY 101 N 0.49 1.34 3.77 -3.53 0.00 -1.26 -5.07 105.19 100.93 1x4a n GLY 101 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1x4a n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4a s THR 102 N 1.88 2.72 0.00 2.61 -4.23 -1.26 -4.97 115.64 112.39 1x4a s THR 102 Ca 0.00 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1x4a s THR 102 Cb 0.00 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1x4a s THR 102 CO 0.00 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1x4a n GLY 103 N 0.91 1.32 3.58 3.99 0.00 -1.26 -5.18 105.19 108.55 1x4a n GLY 103 Ca 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 1x4a n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4a s SER 104 N 0.00 -0.82 0.00 1.61 0.15 -1.26 -5.09 113.70 108.29 1x4a s SER 104 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1x4a s SER 104 Cb 0.00 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1x4a s SER 104 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x4a n GLY 105 N 3.74 -1.74 3.81 9.45 0.00 -1.26 -5.17 105.19 114.03 1x4a n GLY 105 Ca -0.18 0.78 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 1x4a n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 106 N 0.00 3.22 -0.05 1.61 0.04 -1.26 -5.07 135.00 133.50 1x4a s PRO 106 Ca 0.00 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1x4a s PRO 106 Cb 0.00 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1x4a s PRO 106 CO 0.00 -0.88 0.92 -1.54 0.04 0.00 0.00 177.00 175.54 1x4a s SER 107 N -3.21 -0.37 -0.27 6.66 1.04 -1.26 -5.18 113.70 111.11 1x4a s SER 107 Ca 0.61 0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.87 1x4a s SER 107 Cb -0.15 0.36 0.18 0.00 0.10 0.00 0.00 66.02 66.51 1x4a s SER 107 CO 0.44 -0.55 1.30 -0.94 0.98 0.00 0.00 173.24 174.47 1x4a s SER 108 N -2.12 -0.13 0.00 7.02 1.04 -1.26 -5.35 113.70 112.90 1x4a s SER 108 Ca 0.03 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x4a s SER 108 Cb -0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1x4a s SER 108 CO -0.06 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.68