#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m s SER 2 N 0.00 4.14 0.00 1.61 1.04 -1.26 -5.04 113.70 114.19 1x1m s SER 2 Ca 0.00 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1x1m s SER 2 Cb 0.00 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1x1m s SER 2 CO 0.00 -2.11 0.00 -0.24 0.98 0.00 0.00 173.24 171.87 1x1m n SER 3 N -3.40 0.21 0.00 7.02 2.88 -1.26 -5.14 113.62 113.93 1x1m n SER 3 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1x1m n SER 3 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1x1m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1m n GLY 4 N 2.86 1.17 3.82 0.46 0.00 -1.26 -5.09 105.19 107.16 1x1m n GLY 4 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1x1m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1m s SER 5 N 0.00 6.99 -0.35 1.61 0.15 -1.26 -5.05 113.70 115.79 1x1m s SER 5 Ca 0.00 1.36 -0.11 0.00 0.70 0.00 0.00 55.95 57.89 1x1m s SER 5 Cb 0.00 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1x1m s SER 5 CO 0.00 0.01 0.20 -0.55 1.20 0.00 0.00 173.24 174.10 1x1m s SER 6 N -1.75 5.77 0.02 5.45 0.15 -1.26 -5.07 113.70 117.01 1x1m s SER 6 Ca 0.44 -0.71 -0.23 0.00 0.70 0.00 0.00 55.95 56.14 1x1m s SER 6 Cb -0.16 -2.05 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1x1m s SER 6 CO 0.20 -0.30 0.70 -0.83 1.20 0.00 0.00 173.24 174.22 1x1m s GLY 7 N 1.62 2.72 -0.45 9.45 0.00 -1.26 -5.04 107.32 114.36 1x1m s GLY 7 Ca 0.04 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 1x1m s GLY 7 CO 0.08 0.98 0.38 1.06 0.00 0.00 0.00 173.10 175.60 1x1m s MET 8 N -0.05 3.00 -0.13 2.90 1.00 -1.26 -5.04 119.30 119.73 1x1m s MET 8 Ca 0.36 -1.14 -0.14 0.00 0.00 0.00 0.00 55.69 54.77 1x1m s MET 8 Cb -0.20 -4.06 0.04 0.00 0.00 0.00 0.00 34.83 30.61 1x1m s MET 8 CO 0.21 -0.93 0.38 -1.54 0.00 0.00 0.00 175.02 173.14 1x1m s SER 9 N 2.21 -0.39 -0.05 3.03 1.04 -1.26 -5.17 113.70 113.12 1x1m s SER 9 Ca 0.06 0.71 -0.09 0.00 0.48 0.00 0.00 55.95 57.11 1x1m s SER 9 Cb -0.21 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1x1m s SER 9 CO 0.09 -0.18 0.22 -0.76 0.98 0.00 0.00 173.24 173.59 1x1m s LEU 10 N 0.02 1.20 0.65 2.42 1.43 -1.26 -5.17 118.68 117.98 1x1m s LEU 10 Ca -0.02 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1x1m s LEU 10 Cb -0.03 0.84 0.02 0.00 0.03 0.00 0.00 46.19 47.05 1x1m s LEU 10 CO 0.01 -0.23 0.99 -0.55 0.23 0.00 0.00 176.35 176.81 1x1m s SER 11 N -0.56 5.42 -0.22 2.29 0.15 -1.26 -5.03 113.70 114.49 1x1m s SER 11 Ca -0.07 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.31 1x1m s SER 11 Cb -0.04 -1.71 -0.18 0.00 -1.71 0.00 0.00 66.02 62.38 1x1m s SER 11 CO 0.01 -1.25 0.01 0.47 1.20 0.00 0.00 173.24 173.69 1x1m n ASP 12 N -2.79 1.97 -4.67 5.45 9.92 -1.26 -4.88 116.55 120.29 1x1m n ASP 12 Ca 0.06 0.24 -0.43 0.00 -0.53 0.00 0.00 54.79 54.13 1x1m n ASP 12 Cb 0.58 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1x1m s TRP 13 N -2.48 2.92 0.14 1.24 -0.11 -1.26 -5.02 118.94 114.38 1x1m s TRP 13 Ca -0.31 1.05 0.05 0.00 1.22 0.00 0.00 56.10 58.11 1x1m s TRP 13 Cb 0.09 -3.48 -0.04 0.00 -1.50 0.00 0.00 33.47 28.53 1x1m s TRP 13 CO 0.61 -1.61 -0.11 -3.38 -4.62 0.00 0.00 176.95 167.84 1x1m s HIS 14 N 3.25 1.30 0.03 5.86 -3.43 -1.26 -3.85 115.29 117.19 1x1m s HIS 14 Ca 0.55 -0.71 -0.09 0.00 -0.80 0.00 0.00 55.06 54.01 1x1m s HIS 14 Cb -0.22 -0.66 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 1x1m s HIS 14 CO 0.16 0.11 0.17 -1.17 -2.00 0.00 0.00 174.74 172.01 1x1m s LEU 15 N -3.02 1.46 0.18 5.38 2.96 -0.09 -4.21 118.68 121.34 1x1m s LEU 15 Ca 0.15 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1x1m s LEU 15 Cb 0.01 0.85 -0.05 0.00 0.50 0.00 0.00 46.19 47.50 1x1m s LEU 15 CO 0.01 -0.51 0.38 0.00 -1.32 0.00 0.00 176.35 174.92 1x1m s ALA 16 N -2.30 3.82 -0.01 5.97 0.00 -1.00 -1.62 121.76 126.62 1x1m s ALA 16 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1x1m s ALA 16 Cb -0.02 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1x1m s ALA 16 CO -0.03 0.53 0.01 0.08 0.00 0.00 0.00 175.76 176.35 1x1m s VAL 17 N -1.79 0.03 0.02 0.00 1.01 -0.88 -2.65 120.40 116.14 1x1m s VAL 17 Ca 0.39 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.47 1x1m s VAL 17 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1x1m s VAL 17 CO 0.28 0.05 -0.11 -0.54 0.00 0.00 0.00 175.10 174.77 1x1m s LYS 18 N 0.42 0.81 -0.38 2.72 -0.14 -0.16 -2.34 119.74 120.68 1x1m s LYS 18 Ca -0.04 -0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 53.78 1x1m s LYS 18 Cb -0.05 -0.77 0.01 0.00 -1.68 0.00 0.00 37.83 35.34 1x1m s LYS 18 CO -0.01 0.20 0.87 -1.17 -0.76 0.00 0.00 175.35 174.47 1x1m s LEU 19 N -0.73 4.06 0.43 3.17 2.96 -1.26 -2.16 118.68 125.14 1x1m s LEU 19 Ca 0.01 0.43 0.19 0.00 -0.22 0.00 0.00 54.13 54.54 1x1m s LEU 19 Cb -0.06 -3.15 0.98 0.00 0.50 0.00 0.00 46.19 44.46 1x1m s LEU 19 CO 0.00 -0.83 1.91 0.00 -1.32 0.00 0.00 176.35 176.11 1x1m h ALA 20 N 8.54 1.31 0.00 5.97 0.00 -1.70 -2.63 119.26 130.75 1x1m h ALA 20 Ca -0.24 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1x1m h ALA 20 Cb 1.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1x1m h ALA 20 CO 0.96 0.33 -1.02 0.38 0.00 0.00 0.00 179.25 179.90 1x1m h ASP 21 N 0.00 0.00 -3.82 0.00 2.03 -1.91 -3.40 116.42 109.31 1x1m h ASP 21 Ca -0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.67 1x1m h ASP 21 Cb 0.56 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.66 1x1m h ASP 21 CO 0.03 0.91 -0.68 -1.10 -1.03 0.00 0.00 179.24 177.37 1x1m s GLN 22 N -2.74 1.69 0.00 4.15 -0.21 -0.99 -4.94 119.66 116.61 1x1m s GLN 22 Ca 0.01 -2.40 0.15 0.00 0.02 0.00 0.00 55.36 53.13 1x1m s GLN 22 Cb 0.09 -2.84 0.76 0.00 1.00 0.00 0.00 33.01 32.02 1x1m s GLN 22 CO 0.81 -1.16 1.40 -0.35 -2.12 0.00 0.00 175.29 173.87 1x1m n PRO 23 N 3.19 0.23 -0.10 2.91 -0.04 -1.22 -2.46 135.00 137.52 1x1m n PRO 23 Ca 0.09 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1x1m n PRO 23 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1x1m n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x1m n LEU 24 N -1.26 0.21 -4.47 1.53 4.77 -1.26 -5.00 117.00 111.52 1x1m n LEU 24 Ca 0.07 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1x1m n LEU 24 Cb 0.11 0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1x1m n LEU 24 CO 0.11 0.51 0.09 0.00 -1.33 0.00 0.00 177.39 176.77 1x1m n ALA 25 N -2.75 -1.49 -1.19 -1.18 0.00 -1.03 -4.96 120.51 107.90 1x1m n ALA 25 Ca -0.32 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1x1m n ALA 25 Cb 1.12 -1.87 0.15 0.00 0.00 0.00 0.00 19.45 18.85 1x1m n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1m s PRO 26 N -2.87 1.01 0.34 0.00 0.04 -1.26 -4.88 135.00 127.38 1x1m s PRO 26 Ca 0.65 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 1x1m s PRO 26 Cb -0.34 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1x1m s PRO 26 CO 0.58 -2.39 0.76 0.21 0.04 0.00 0.00 177.00 176.20 1x1m s LYS 27 N -4.94 4.00 -0.20 4.56 2.20 -1.26 -4.77 119.74 119.33 1x1m s LYS 27 Ca 0.64 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1x1m s LYS 27 Cb -0.18 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1x1m s LYS 27 CO 0.57 0.12 -0.13 -1.12 -0.36 0.00 0.00 175.35 174.43 1x1m s SER 28 N -2.36 3.46 -0.37 1.43 0.01 -0.99 -5.00 113.70 109.88 1x1m s SER 28 Ca 0.55 -0.89 -0.23 0.00 1.31 0.00 0.00 55.95 56.69 1x1m s SER 28 Cb -0.10 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.80 1x1m s SER 28 CO 0.19 -0.11 0.77 -0.63 0.41 0.00 0.00 173.24 173.87 1x1m s ILE 29 N 1.33 4.74 -0.08 1.44 -1.09 -1.26 -2.06 121.20 124.21 1x1m s ILE 29 Ca -0.01 0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 59.23 1x1m s ILE 29 Cb -0.16 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1x1m s ILE 29 CO -0.09 -0.44 0.04 -0.22 -1.23 0.00 0.00 174.94 173.00 1x1m s LEU 30 N 3.08 3.79 -0.29 2.97 2.96 -0.64 -4.96 118.68 125.60 1x1m s LEU 30 Ca 0.31 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1x1m s LEU 30 Cb -0.13 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.71 1x1m s LEU 30 CO 0.17 0.37 0.04 -1.10 -1.32 0.00 0.00 176.35 174.51 1x1m s GLN 31 N -1.04 1.12 0.66 1.98 -0.21 -1.26 -0.91 119.66 119.99 1x1m s GLN 31 Ca 0.15 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.17 1x1m s GLN 31 Cb -0.12 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 31.46 1x1m s GLN 31 CO 0.04 -0.85 1.21 -0.48 -2.12 0.00 0.00 175.29 173.09 1x1m s LEU 32 N 1.41 3.50 0.97 2.90 0.05 -1.25 -4.99 118.68 121.27 1x1m s LEU 32 Ca 0.05 2.37 -0.12 0.00 0.05 0.00 0.00 54.13 56.48 1x1m s LEU 32 Cb -0.18 -4.59 0.17 0.00 -2.05 0.00 0.00 46.19 39.54 1x1m s LEU 32 CO -0.15 -1.90 1.09 -2.16 -0.55 0.00 0.00 176.35 172.68 1x1m s PRO 33 N -3.62 0.67 1.01 1.48 0.04 -1.26 -4.80 135.00 128.52 1x1m s PRO 33 Ca 0.76 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1x1m s PRO 33 Cb -0.30 -1.76 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1x1m s PRO 33 CO 0.39 -2.59 1.10 -1.21 0.04 0.00 0.00 177.00 174.73 1x1m s GLU 34 N -4.95 0.26 0.41 4.56 2.02 -1.26 -5.05 118.70 114.69 1x1m s GLU 34 Ca 0.65 1.30 0.07 0.00 0.02 0.00 0.00 54.97 57.01 1x1m s GLU 34 Cb -0.18 -1.66 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 1x1m s GLU 34 CO 0.57 -3.07 0.17 -0.08 0.02 0.00 0.00 175.26 172.88 1x1m s THR 35 N -2.57 2.37 -0.17 3.63 -1.32 -1.26 -5.04 115.64 111.27 1x1m s THR 35 Ca 0.67 -1.70 0.18 0.00 -1.21 0.00 0.00 61.69 59.63 1x1m s THR 35 Cb -0.24 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.72 1x1m s THR 35 CO 0.61 -0.02 1.03 1.05 -2.21 0.00 0.00 174.62 175.07 1x1m h GLU 36 N 1.44 0.00 -4.94 7.08 4.11 -2.02 -3.42 114.58 116.83 1x1m h GLU 36 Ca -0.43 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.31 1x1m h GLU 36 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 1x1m h GLU 36 CO 0.69 0.25 0.65 -0.51 0.07 0.00 0.00 179.01 180.16 1x1m s LEU 37 N -5.83 5.16 0.00 3.06 2.01 -1.26 -4.98 118.68 116.84 1x1m s LEU 37 Ca -0.01 -1.90 0.00 0.00 0.01 0.00 0.00 54.13 52.23 1x1m s LEU 37 Cb 0.08 -2.37 0.00 0.00 0.01 0.00 0.00 46.19 43.91 1x1m s LEU 37 CO 0.79 -1.07 0.00 0.61 1.01 0.00 0.00 176.35 177.68 1x1m n GLY 38 N 5.30 0.39 0.00 -3.19 0.00 -1.26 -4.49 105.19 101.94 1x1m n GLY 38 Ca 0.16 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.52 1x1m n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x1m n GLU 39 N -0.01 1.62 -0.19 1.61 -0.00 -1.26 -4.62 120.64 117.79 1x1m n GLU 39 Ca 0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.16 56.95 1x1m n GLU 39 Cb 0.00 -1.04 0.17 0.00 -0.00 0.00 0.00 31.44 30.57 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1x1m n TYR 40 N -1.54 -3.10 -1.28 -1.84 0.18 -1.26 -4.70 117.16 103.62 1x1m n TYR 40 Ca -0.00 -0.48 -0.55 0.00 1.88 0.00 0.00 57.90 58.75 1x1m n TYR 40 Cb 0.14 -0.71 -0.09 0.00 -0.38 0.00 0.00 39.34 38.30 1x1m n TYR 40 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1x1m n SER 41 N -4.56 0.83 0.33 9.48 7.64 -1.26 -4.82 113.62 121.26 1x1m n SER 41 Ca 0.08 0.80 -0.19 0.00 1.01 0.00 0.00 58.87 60.57 1x1m n SER 41 Cb 0.34 -0.76 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 1x1m n SER 41 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x1m h LEU 42 N 6.04 -1.34 -3.79 -3.43 3.38 -1.89 -3.47 115.31 110.81 1x1m h LEU 42 Ca -0.23 0.10 -0.51 0.00 0.09 0.00 0.00 57.88 57.33 1x1m h LEU 42 Cb 1.20 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1x1m h LEU 42 CO 0.89 -0.69 -1.09 0.61 0.09 0.00 0.00 178.44 178.25 1x1m n GLY 43 N -1.58 -1.22 0.00 0.83 0.00 -1.26 -4.67 105.19 97.28 1x1m n GLY 43 Ca -0.13 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1x1m n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1m n GLY 44 N -1.71 0.00 3.64 -0.02 0.00 -1.26 -4.88 105.19 100.96 1x1m n GLY 44 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1x1m n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1m n TYR 45 N 0.00 1.52 -3.47 1.61 4.02 -1.26 -4.83 117.16 114.74 1x1m n TYR 45 Ca 0.00 0.56 -0.37 0.00 -0.01 0.00 0.00 57.90 58.07 1x1m n TYR 45 Cb 0.00 -2.28 -0.08 0.00 -0.02 0.00 0.00 39.34 36.96 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x1m s SER 46 N -0.64 6.40 0.22 7.72 1.04 -1.26 -2.69 113.70 124.49 1x1m s SER 46 Ca 0.62 0.46 -0.05 0.00 0.48 0.00 0.00 55.95 57.46 1x1m s SER 46 Cb -0.56 -2.20 0.39 0.00 0.10 0.00 0.00 66.02 63.75 1x1m s SER 46 CO 0.58 -0.01 1.21 -0.38 0.98 0.00 0.00 173.24 175.62 1x1m n ILE 47 N 4.10 -0.33 -0.38 -1.02 2.08 -1.11 0.30 119.36 123.00 1x1m n ILE 47 Ca -0.10 1.76 -0.02 0.00 0.56 0.00 0.00 62.75 64.95 1x1m n ILE 47 Cb 0.51 -2.46 0.02 0.00 -0.75 0.00 0.00 39.64 36.96 1x1m n ILE 47 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1x1m n SER 48 N -5.24 -0.70 -0.11 4.38 2.88 -1.26 -1.34 113.62 112.23 1x1m n SER 48 Ca 0.13 1.73 -0.04 0.00 -1.33 0.00 0.00 58.87 59.36 1x1m n SER 48 Cb 0.42 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1x1m h PHE 49 N 0.00 -0.64 -0.51 0.66 3.57 -0.54 -1.51 116.94 117.97 1x1m h PHE 49 Ca 0.32 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.93 1x1m h PHE 49 Cb 0.56 0.32 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 1x1m h PHE 49 CO -0.89 -0.14 -0.45 -0.07 -2.23 0.00 0.00 178.31 174.52 1x1m h LEU 50 N -0.05 -1.54 -1.07 0.59 3.38 -1.30 0.57 115.31 115.89 1x1m h LEU 50 Ca 0.05 0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.53 1x1m h LEU 50 Cb 0.17 0.68 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1x1m h LEU 50 CO -0.29 -0.35 1.17 0.11 0.09 0.00 0.00 178.44 179.17 1x1m h LYS 51 N -0.28 0.00 0.10 1.13 1.57 -0.57 1.09 116.57 119.60 1x1m h LYS 51 Ca 0.15 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.66 1x1m h LYS 51 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1x1m h LYS 51 CO -0.65 0.00 -1.42 1.96 -0.57 0.00 0.00 179.45 178.77 1x1m h GLN 52 N 0.00 0.21 0.07 3.15 4.20 0.54 -3.11 115.11 120.18 1x1m h GLN 52 Ca 0.46 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1x1m h GLN 52 Cb 2.79 0.13 0.00 0.00 0.30 0.00 0.00 27.48 30.70 1x1m h GLN 52 CO -0.00 1.17 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.22 1x1m h LEU 53 N -0.37 -0.09 -0.09 1.46 4.07 0.16 -2.36 115.31 118.10 1x1m h LEU 53 Ca -0.32 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.53 1x1m h LEU 53 Cb 1.71 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 1x1m h LEU 53 CO 0.03 0.07 0.03 0.40 -1.08 0.00 0.00 178.44 177.89 1x1m h ILE 54 N -0.24 0.99 -0.61 1.22 5.03 -1.16 -1.89 117.51 120.84 1x1m h ILE 54 Ca -0.01 -0.03 0.18 0.00 -0.12 0.00 0.00 64.86 64.88 1x1m h ILE 54 Cb 0.20 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 34.87 1x1m h ILE 54 CO 0.02 0.01 0.44 0.00 -0.68 0.00 0.00 178.15 177.94 1x1m h ALA 55 N 1.05 2.58 0.00 1.87 0.00 -1.49 0.22 119.26 123.48 1x1m h ALA 55 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1x1m h ALA 55 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x1m h ALA 55 CO -0.03 -0.76 -0.43 0.78 0.00 0.00 0.00 179.25 178.81 1x1m h GLY 56 N 0.00 0.00 0.85 0.00 0.00 -0.79 -2.79 103.07 100.35 1x1m h GLY 56 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.27 1x1m h GLY 56 CO -0.00 0.00 -1.82 0.50 0.00 0.00 0.00 176.54 175.22 1x1m h LYS 57 N 0.00 0.29 0.00 4.80 1.79 -0.50 -3.31 116.57 119.65 1x1m h LYS 57 Ca -0.00 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1x1m h LYS 57 Cb 0.93 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1x1m h LYS 57 CO 0.06 1.18 0.00 1.28 -1.08 0.00 0.00 179.45 180.89 1x1m n LEU 58 N -3.48 0.00 -0.28 2.94 4.77 -0.27 -4.08 117.00 116.60 1x1m n LEU 58 Ca -0.26 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 55.96 1x1m n LEU 58 Cb 1.06 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.55 1x1m n LEU 58 CO 0.47 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.26 1x1m n GLN 59 N -0.98 -0.02 -0.34 3.23 -0.00 -1.05 0.64 117.38 118.86 1x1m n GLN 59 Ca 0.17 0.75 0.04 0.00 -0.00 0.00 0.00 57.00 57.95 1x1m n GLN 59 Cb 0.08 -1.47 0.11 0.00 -0.00 0.00 0.00 30.24 28.95 1x1m n GLN 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1x1m h GLU 60 N 0.00 -0.01 0.00 2.61 4.11 -1.90 -3.20 114.58 116.19 1x1m h GLU 60 Ca 0.52 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.89 1x1m h GLU 60 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1x1m h GLU 60 CO -0.29 -0.00 -1.26 0.43 0.07 0.00 0.00 179.01 177.96 1x1m n SER 61 N -5.57 3.98 -4.61 3.06 7.64 0.21 -4.97 113.62 113.36 1x1m n SER 61 Ca 0.13 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1x1m n SER 61 Cb 0.46 0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 64.08 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x1m s VAL 62 N -2.09 4.22 -0.02 0.44 1.01 0.71 -4.92 120.40 119.74 1x1m s VAL 62 Ca -0.03 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 1x1m s VAL 62 Cb 0.01 -4.45 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 1x1m s VAL 62 CO 0.14 -0.78 1.19 1.55 0.00 0.00 0.00 175.10 177.20 1x1m h PRO 63 N 9.20 -0.11 -3.81 2.72 0.13 -1.87 -3.31 132.00 134.95 1x1m h PRO 63 Ca -0.23 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1x1m h PRO 63 Cb 1.07 0.03 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 1x1m h PRO 63 CO 1.09 0.33 -0.55 -0.51 -0.23 0.00 0.00 178.00 178.13 1x1m s ASP 64 N -5.54 0.18 0.52 1.44 1.11 -1.26 -5.01 116.67 108.12 1x1m s ASP 64 Ca -0.15 -0.51 0.31 0.00 0.18 0.00 0.00 52.55 52.38 1x1m s ASP 64 Cb 0.02 0.21 1.29 0.00 1.07 0.00 0.00 42.92 45.51 1x1m s ASP 64 CO 0.61 -0.47 1.96 1.55 1.18 0.00 0.00 175.17 180.01 1x1m h PRO 65 N 3.84 0.00 0.00 8.23 0.13 -1.88 -2.83 132.00 139.49 1x1m h PRO 65 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 1x1m h PRO 65 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x1m h PRO 65 CO 0.49 0.07 -1.10 0.93 -0.23 0.00 0.00 178.00 178.16 1x1m h GLU 66 N 0.00 0.00 -0.78 0.86 5.08 -1.96 -3.26 114.58 114.52 1x1m h GLU 66 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1m h GLU 66 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1x1m h GLU 66 CO 0.01 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 179.98 1x1m n LEU 67 N -3.19 2.50 0.00 1.33 4.77 -1.07 -4.86 117.00 116.48 1x1m n LEU 67 Ca -0.04 -1.26 -0.19 0.00 -0.03 0.00 0.00 56.01 54.48 1x1m n LEU 67 Cb 0.90 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1x1m n LEU 67 CO 0.45 0.38 -0.09 2.30 -1.33 0.00 0.00 177.39 179.09 1x1m n ILE 68 N 0.22 0.00 -3.87 -0.08 -6.64 -1.23 -3.25 119.36 104.51 1x1m n ILE 68 Ca 0.10 -2.35 -0.09 0.00 -1.77 0.00 0.00 62.75 58.64 1x1m n ILE 68 Cb 0.54 1.17 -0.07 0.00 -1.44 0.00 0.00 39.64 39.84 1x1m n ILE 68 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1x1m s ASP 69 N -3.24 0.08 -0.13 7.28 2.15 -0.62 -4.81 116.67 117.37 1x1m s ASP 69 Ca 0.38 -0.68 0.01 0.00 0.43 0.00 0.00 52.55 52.69 1x1m s ASP 69 Cb 0.02 0.37 -0.01 0.00 -0.30 0.00 0.00 42.92 43.00 1x1m s ASP 69 CO 0.27 -0.78 -0.17 -0.22 -0.17 0.00 0.00 175.17 174.11 1x1m s LEU 70 N -2.88 2.47 -0.07 -1.34 2.96 -1.26 -1.63 118.68 116.93 1x1m s LEU 70 Ca 0.08 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1x1m s LEU 70 Cb 0.04 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1x1m s LEU 70 CO -0.08 0.13 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.21 1x1m s ILE 71 N 0.53 2.14 0.01 6.68 -1.09 0.90 -2.01 121.20 128.36 1x1m s ILE 71 Ca -0.11 -1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 57.24 1x1m s ILE 71 Cb -0.16 -1.79 -0.01 0.00 -1.58 0.00 0.00 42.46 38.92 1x1m s ILE 71 CO 0.04 0.57 0.08 -0.47 -1.23 0.00 0.00 174.94 173.93 1x1m s TYR 72 N -0.03 0.14 -1.57 3.97 6.14 0.24 -1.38 117.35 124.86 1x1m s TYR 72 Ca -0.07 -0.32 -0.17 0.00 0.64 0.00 0.00 57.07 57.14 1x1m s TYR 72 Cb -0.15 -0.11 0.15 0.00 0.42 0.00 0.00 41.96 42.28 1x1m s TYR 72 CO 0.05 -0.27 0.65 0.00 0.64 0.00 0.00 175.55 176.61 1x1m n GLY 74 N -1.22 -0.46 3.44 0.00 0.00 -1.26 -4.98 105.19 100.71 1x1m n GLY 74 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1x1m n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1m s ARG 75 N -5.32 0.65 0.35 1.61 1.70 0.28 -5.15 118.95 113.07 1x1m s ARG 75 Ca 0.14 0.69 -0.28 0.00 -0.47 0.00 0.00 55.73 55.82 1x1m s ARG 75 Cb -0.06 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.53 1x1m s ARG 75 CO 0.18 -0.09 1.30 0.21 -1.08 0.00 0.00 175.30 175.82 1x1m s LYS 76 N 0.16 4.27 -0.36 3.89 2.36 -1.26 -0.59 119.74 128.21 1x1m s LYS 76 Ca -0.01 2.19 -0.13 0.00 -2.55 0.00 0.00 55.97 55.47 1x1m s LYS 76 Cb -0.04 -3.00 -0.01 0.00 -1.05 0.00 0.00 37.83 33.74 1x1m s LYS 76 CO 0.01 -0.25 0.25 -0.51 1.55 0.00 0.00 175.35 176.41 1x1m s LEU 77 N -1.94 4.68 0.60 5.43 1.43 -0.85 -4.88 118.68 123.15 1x1m s LEU 77 Ca 0.51 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1x1m s LEU 77 Cb -0.39 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1x1m s LEU 77 CO 0.52 -0.30 1.03 -0.54 0.23 0.00 0.00 176.35 177.28 1x1m s LYS 78 N 1.70 3.54 0.35 1.70 1.02 -1.26 -4.77 119.74 122.02 1x1m s LYS 78 Ca 0.06 0.90 0.15 0.00 0.02 0.00 0.00 55.97 57.09 1x1m s LYS 78 Cb -0.18 -2.07 0.64 0.00 -0.52 0.00 0.00 37.83 35.70 1x1m s LYS 78 CO 0.10 -0.61 1.74 0.22 -0.92 0.00 0.00 175.35 175.88 1x1m h ASP 79 N 0.03 0.00 0.91 2.83 3.58 -1.96 -2.63 116.42 119.18 1x1m h ASP 79 Ca -0.45 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 1x1m h ASP 79 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1x1m h ASP 79 CO 0.60 0.43 -0.00 0.44 -2.88 0.00 0.00 179.24 177.83 1x1m h ASP 80 N 0.00 0.00 -3.59 2.28 3.32 -1.98 -3.36 116.42 113.10 1x1m h ASP 80 Ca -0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1x1m h ASP 80 Cb 0.85 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.49 1x1m h ASP 80 CO 0.06 0.00 0.23 -1.10 -1.72 0.00 0.00 179.24 176.71 1x1m s GLN 81 N -3.72 1.96 0.28 3.56 -1.52 -0.99 -4.99 119.66 114.24 1x1m s GLN 81 Ca 0.00 -0.38 0.02 0.00 -1.95 0.00 0.00 55.36 53.06 1x1m s GLN 81 Cb 0.09 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 1x1m s GLN 81 CO 0.53 -1.39 0.08 0.95 -0.25 0.00 0.00 175.29 175.21 1x1m s THR 82 N -3.30 0.75 0.37 -0.19 -4.23 -1.26 -2.75 115.64 105.03 1x1m s THR 82 Ca 0.62 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1x1m s THR 82 Cb -0.09 -2.68 0.29 0.00 1.34 0.00 0.00 72.50 71.36 1x1m s THR 82 CO 0.45 -0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.43 1x1m h LEU 83 N 2.30 0.63 0.01 4.79 -0.00 -1.83 -2.58 115.31 118.63 1x1m h LEU 83 Ca -0.39 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.41 1x1m h LEU 83 Cb 1.25 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1x1m h LEU 83 CO 0.64 0.41 -0.33 -0.78 -0.00 0.00 0.00 178.44 178.38 1x1m h ASP 84 N 0.72 0.27 -0.98 -0.43 3.58 -1.87 0.30 116.42 118.01 1x1m h ASP 84 Ca 0.30 -0.81 0.25 0.00 0.42 0.00 0.00 57.03 57.19 1x1m h ASP 84 Cb 0.25 -0.08 -0.18 0.00 1.72 0.00 0.00 39.33 41.03 1x1m h ASP 84 CO -0.09 1.04 -0.04 0.15 -2.88 0.00 0.00 179.24 177.42 1x1m h PHE 85 N -0.47 -0.17 0.06 0.28 3.57 -1.86 0.92 116.94 119.28 1x1m h PHE 85 Ca -0.04 0.08 -0.31 0.00 3.53 0.00 0.00 57.97 61.22 1x1m h PHE 85 Cb 1.11 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 1x1m h PHE 85 CO 0.18 -0.42 -1.74 1.88 -2.23 0.00 0.00 178.31 175.99 1x1m h TYR 86 N 0.01 0.24 0.00 0.41 0.05 -1.61 -3.49 116.97 112.58 1x1m h TYR 86 Ca 0.56 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1x1m h TYR 86 Cb 1.08 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1x1m h TYR 86 CO -0.56 1.33 0.00 0.41 -1.05 0.00 0.00 178.16 178.29 1x1m n GLY 87 N 1.71 1.16 3.66 3.88 0.00 0.32 -5.08 105.19 110.84 1x1m n GLY 87 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1x1m n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1m n ILE 88 N -1.61 3.30 -4.26 -0.61 5.41 0.86 -4.96 119.36 117.49 1x1m n ILE 88 Ca 0.00 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1x1m n ILE 88 Cb 0.00 -1.34 -0.10 0.00 -0.71 0.00 0.00 39.64 37.49 1x1m n ILE 88 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x1m s GLN 89 N -2.55 1.10 0.00 0.38 -0.21 -1.26 -4.74 119.66 112.38 1x1m s GLN 89 Ca 0.70 -1.49 0.10 0.00 0.02 0.00 0.00 55.36 54.69 1x1m s GLN 89 Cb -0.46 -0.53 0.62 0.00 1.00 0.00 0.00 33.01 33.64 1x1m s GLN 89 CO 0.51 0.00 1.06 -0.35 -2.12 0.00 0.00 175.29 174.39 1x1m n PRO 90 N -0.23 0.49 -0.07 2.91 -0.04 -1.26 -2.10 135.00 134.70 1x1m n PRO 90 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1x1m n PRO 90 Cb 0.62 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.81 1x1m n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1m n GLY 91 N -0.02 3.24 3.97 0.55 0.00 -1.26 -4.03 105.19 107.64 1x1m n GLY 91 Ca 0.08 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1x1m n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1m s SER 92 N -1.29 5.20 -0.04 1.61 0.01 -0.89 -4.96 113.70 113.34 1x1m s SER 92 Ca 0.12 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.67 1x1m s SER 92 Cb 0.08 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1x1m s SER 92 CO 0.05 -0.94 -0.12 -0.89 0.41 0.00 0.00 173.24 171.75 1x1m s THR 93 N -2.53 1.05 0.37 1.44 2.01 -1.26 -2.37 115.64 114.34 1x1m s THR 93 Ca 0.52 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1x1m s THR 93 Cb -0.06 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1x1m s THR 93 CO 0.32 0.32 0.29 0.68 -0.69 0.00 0.00 174.62 175.54 1x1m s VAL 94 N 0.33 3.11 -0.05 3.82 -7.23 -1.08 -4.83 120.40 114.46 1x1m s VAL 94 Ca -0.07 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1x1m s VAL 94 Cb -0.12 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1x1m s VAL 94 CO 0.02 -0.11 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.59 1x1m s HIS 95 N -2.39 1.19 0.02 2.82 3.76 -0.48 -0.98 115.29 119.22 1x1m s HIS 95 Ca 0.43 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.84 1x1m s HIS 95 Cb -0.04 -0.88 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 1x1m s HIS 95 CO 0.26 -0.19 0.39 0.08 -0.85 0.00 0.00 174.74 174.43 1x1m s VAL 96 N 0.50 5.08 -0.12 -0.90 1.01 -0.92 -0.07 120.40 124.98 1x1m s VAL 96 Ca -0.09 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1x1m s VAL 96 Cb -0.13 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1x1m s VAL 96 CO 0.02 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1x1m s LEU 97 N -1.38 1.55 -0.03 3.92 1.98 -0.64 -1.89 118.68 122.18 1x1m s LEU 97 Ca 0.27 -0.41 -0.30 0.00 -2.89 0.00 0.00 54.13 50.80 1x1m s LEU 97 Cb -0.15 -1.04 -0.05 0.00 0.66 0.00 0.00 46.19 45.61 1x1m s LEU 97 CO 0.14 -0.05 1.42 -0.13 -1.89 0.00 0.00 176.35 175.84 1x1m s ARG 98 N 1.37 4.26 1.06 1.98 0.52 -1.26 -1.60 118.95 125.29 1x1m s ARG 98 Ca 0.01 1.95 -0.12 0.00 -0.52 0.00 0.00 55.73 57.05 1x1m s ARG 98 Cb -0.13 -3.67 0.21 0.00 0.52 0.00 0.00 34.95 31.87 1x1m s ARG 98 CO -0.07 -0.64 0.94 1.63 0.02 0.00 0.00 175.30 177.19 1x1m n LYS 99 N 5.85 -1.53 -1.49 3.54 5.02 -1.20 -4.90 118.16 123.44 1x1m n LYS 99 Ca 0.14 -0.40 -0.33 0.00 -2.02 0.00 0.00 58.31 55.69 1x1m n LYS 99 Cb 0.44 -2.19 0.05 0.00 -0.02 0.00 0.00 35.03 33.30 1x1m n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x1m n SER 100 N -4.21 7.36 -0.31 4.39 3.41 -1.26 -4.66 113.62 118.34 1x1m n SER 100 Ca 0.06 -3.65 0.02 0.00 -0.26 0.00 0.00 58.87 55.04 1x1m n SER 100 Cb 0.54 -1.05 0.15 0.00 -0.26 0.00 0.00 64.21 63.59 1x1m n SER 100 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1x1m h TRP 101 N 2.39 0.99 -3.10 7.33 0.09 -1.94 -3.46 115.95 118.25 1x1m h TRP 101 Ca 0.53 0.03 0.01 0.00 0.09 0.00 0.00 58.89 59.55 1x1m h TRP 101 Cb 0.54 -0.32 -0.03 0.00 0.08 0.00 0.00 29.16 29.44 1x1m h TRP 101 CO 1.28 0.48 0.20 -1.12 0.09 0.00 0.00 178.44 179.37 1x1m s SER 102 N -5.75 -0.08 -0.73 0.11 0.01 -1.26 -5.11 113.70 100.89 1x1m s SER 102 Ca -0.12 -0.91 -0.09 0.00 1.31 0.00 0.00 55.95 56.14 1x1m s SER 102 Cb 0.19 0.77 0.19 0.00 0.21 0.00 0.00 66.02 67.38 1x1m s SER 102 CO 0.79 -1.48 0.61 -0.83 0.41 0.00 0.00 173.24 172.74 1x1m s GLY 103 N -3.01 2.59 -0.71 3.44 0.00 -1.26 -5.02 107.32 103.34 1x1m s GLY 103 Ca 0.15 -3.29 -0.26 0.00 0.00 0.00 0.00 44.72 41.32 1x1m s GLY 103 CO 0.10 1.18 1.89 2.56 0.00 0.00 0.00 173.10 178.83 1x1m s PRO 104 N 0.06 2.60 0.03 2.90 0.04 -1.26 -4.93 135.00 134.43 1x1m s PRO 104 Ca 0.17 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 1x1m s PRO 104 Cb -0.15 -4.62 -0.09 0.00 0.04 0.00 0.00 34.50 29.68 1x1m s PRO 104 CO -0.06 -2.95 1.97 0.45 0.04 0.00 0.00 177.00 176.45 1x1m n SER 105 N 13.16 4.13 -4.48 6.66 2.88 -1.26 -4.98 113.62 129.73 1x1m n SER 105 Ca 0.27 0.90 -0.24 0.00 -1.33 0.00 0.00 58.87 58.47 1x1m n SER 105 Cb 0.50 -1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.34 1x1m n SER 105 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x1m s SER 106 N 4.48 3.65 0.00 -3.46 0.15 -1.26 -5.34 113.70 111.91 1x1m s SER 106 Ca 0.89 -0.96 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1x1m s SER 106 Cb -0.45 -0.34 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 1x1m s SER 106 CO 0.43 0.05 0.68 0.61 1.20 0.00 0.00 173.24 176.21