#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 2.62 0.51 1.61 0.15 -1.26 -5.11 113.70 112.22 1x1m s SER 2 Ca 0.00 -0.45 -0.22 0.00 0.70 0.00 0.00 55.95 55.98 1x1m s SER 2 Cb 0.00 -0.94 -0.07 0.00 -1.71 0.00 0.00 66.02 63.30 1x1m s SER 2 CO 0.00 0.16 1.13 -1.54 1.20 0.00 0.00 173.24 174.19 1x1m n SER 3 N 3.31 1.67 0.00 5.45 3.41 -1.26 -4.67 113.62 121.53 1x1m n SER 3 Ca -0.19 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1x1m n SER 3 Cb 0.52 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1x1m n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1m n GLY 4 N 1.05 -0.07 4.01 5.00 0.00 -1.26 -5.01 105.19 108.90 1x1m n GLY 4 Ca 0.11 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1x1m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1m n SER 5 N 0.00 -1.19 -4.88 1.61 3.41 -1.26 -4.86 113.62 106.44 1x1m n SER 5 Ca 0.00 -1.03 -0.30 0.00 -0.26 0.00 0.00 58.87 57.28 1x1m n SER 5 Cb 0.00 -1.32 -0.00 0.00 -0.26 0.00 0.00 64.21 62.63 1x1m n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x1m s SER 6 N -3.03 6.32 0.00 4.04 0.15 -1.26 -4.86 113.70 115.06 1x1m s SER 6 Ca 0.60 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1x1m s SER 6 Cb -0.35 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1x1m s SER 6 CO 0.84 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1x1m n GLY 7 N -2.33 0.54 1.97 9.45 0.00 -1.26 -5.02 105.19 108.55 1x1m n GLY 7 Ca 0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1x1m n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x1m n MET 8 N 0.00 1.90 -3.96 1.61 0.00 -1.26 -4.81 117.12 110.60 1x1m n MET 8 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 57.70 55.68 1x1m n MET 8 Cb 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 33.22 31.36 1x1m n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1x1m s SER 9 N 0.10 3.52 1.09 7.83 0.01 -1.26 -5.13 113.70 119.86 1x1m s SER 9 Ca 0.35 -0.98 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 1x1m s SER 9 Cb 0.27 -1.18 0.24 0.00 0.21 0.00 0.00 66.02 65.56 1x1m s SER 9 CO -0.02 -0.19 1.07 -0.76 0.41 0.00 0.00 173.24 173.75 1x1m s LEU 10 N 1.42 1.15 0.71 2.44 2.01 -1.26 -5.01 118.68 120.14 1x1m s LEU 10 Ca -0.03 1.22 -0.11 0.00 0.01 0.00 0.00 54.13 55.22 1x1m s LEU 10 Cb -0.17 -3.25 0.02 0.00 0.01 0.00 0.00 46.19 42.80 1x1m s LEU 10 CO -0.07 -3.65 1.07 -0.55 1.01 0.00 0.00 176.35 174.16 1x1m s SER 11 N -3.18 5.20 -0.15 2.29 0.15 -1.26 -5.01 113.70 111.75 1x1m s SER 11 Ca 0.67 1.68 -0.21 0.00 0.70 0.00 0.00 55.95 58.79 1x1m s SER 11 Cb -0.20 -2.50 -0.18 0.00 -1.71 0.00 0.00 66.02 61.42 1x1m s SER 11 CO 0.60 -1.57 0.45 -0.78 1.20 0.00 0.00 173.24 173.15 1x1m h ASP 12 N -0.73 0.00 -3.27 5.45 1.82 -1.95 -3.45 116.42 114.28 1x1m h ASP 12 Ca -0.44 -0.65 -0.57 0.00 -0.39 0.00 0.00 57.03 54.98 1x1m h ASP 12 Cb 1.22 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.17 1x1m h ASP 12 CO 0.55 0.99 0.48 0.86 -1.61 0.00 0.00 179.24 180.52 1x1m s TRP 13 N -2.13 3.47 0.25 0.28 -0.11 -1.26 -5.04 118.94 114.41 1x1m s TRP 13 Ca -0.17 1.43 0.03 0.00 1.22 0.00 0.00 56.10 58.61 1x1m s TRP 13 Cb -0.00 -3.10 -0.05 0.00 -1.50 0.00 0.00 33.47 28.81 1x1m s TRP 13 CO 0.51 -0.23 0.02 -3.38 -4.62 0.00 0.00 176.95 169.26 1x1m s HIS 14 N 2.05 1.64 0.13 5.86 -3.43 -1.26 -3.97 115.29 116.31 1x1m s HIS 14 Ca 0.43 -0.96 -0.14 0.00 -0.80 0.00 0.00 55.06 53.59 1x1m s HIS 14 Cb -0.17 -0.98 0.02 0.00 -1.43 0.00 0.00 32.58 30.02 1x1m s HIS 14 CO 0.15 -0.07 0.35 -1.17 -2.00 0.00 0.00 174.74 172.00 1x1m s LEU 15 N -3.34 0.66 0.15 5.38 2.96 -1.10 -4.28 118.68 119.12 1x1m s LEU 15 Ca 0.31 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1x1m s LEU 15 Cb 0.07 1.62 -0.04 0.00 0.50 0.00 0.00 46.19 48.34 1x1m s LEU 15 CO 0.11 -0.84 0.30 0.00 -1.32 0.00 0.00 176.35 174.60 1x1m s ALA 16 N -3.84 3.94 -0.05 5.97 0.00 -1.13 -1.63 121.76 125.03 1x1m s ALA 16 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1x1m s ALA 16 Cb 0.02 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1x1m s ALA 16 CO -0.10 0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.18 1x1m s VAL 17 N -1.76 0.85 0.05 0.00 1.01 0.17 -3.33 120.40 117.39 1x1m s VAL 17 Ca 0.35 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1x1m s VAL 17 Cb -0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1x1m s VAL 17 CO 0.29 0.28 -0.13 -0.54 0.00 0.00 0.00 175.10 175.00 1x1m s LYS 18 N 0.62 0.84 -0.23 2.72 -0.14 -0.82 -1.92 119.74 120.81 1x1m s LYS 18 Ca -0.11 -0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 53.55 1x1m s LYS 18 Cb -0.14 -0.83 -0.04 0.00 -1.68 0.00 0.00 37.83 35.14 1x1m s LYS 18 CO 0.02 0.20 0.28 -1.17 -0.76 0.00 0.00 175.35 173.91 1x1m s LEU 19 N -1.40 4.11 0.25 3.17 2.96 -1.26 -2.02 118.68 124.49 1x1m s LEU 19 Ca -0.01 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1x1m s LEU 19 Cb -0.09 -2.30 0.26 0.00 0.50 0.00 0.00 46.19 44.57 1x1m s LEU 19 CO 0.02 -0.03 1.56 0.00 -1.32 0.00 0.00 176.35 176.58 1x1m h ALA 20 N 7.61 0.87 -0.02 5.97 0.00 -1.69 -3.09 119.26 128.91 1x1m h ALA 20 Ca -0.36 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 53.79 1x1m h ALA 20 Cb 1.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1x1m h ALA 20 CO 0.67 0.81 -0.71 0.22 0.00 0.00 0.00 179.25 180.24 1x1m h ASP 21 N 0.04 0.12 -3.73 0.00 1.82 -1.94 -3.39 116.42 109.35 1x1m h ASP 21 Ca -0.01 -0.08 -0.62 0.00 -0.39 0.00 0.00 57.03 55.93 1x1m h ASP 21 Cb 1.18 -0.04 -0.40 0.00 0.68 0.00 0.00 39.33 40.75 1x1m h ASP 21 CO 0.09 0.79 -0.71 -1.10 -1.61 0.00 0.00 179.24 176.70 1x1m s GLN 22 N -3.47 1.46 0.00 0.28 -0.21 -1.17 -4.95 119.66 111.61 1x1m s GLN 22 Ca -0.02 -2.15 0.15 0.00 0.02 0.00 0.00 55.36 53.35 1x1m s GLN 22 Cb 0.12 -2.58 0.74 0.00 1.00 0.00 0.00 33.01 32.28 1x1m s GLN 22 CO 0.79 -1.15 1.41 -0.35 -2.12 0.00 0.00 175.29 173.87 1x1m n PRO 23 N 3.45 0.20 -0.10 2.91 -0.04 -1.23 -2.49 135.00 137.70 1x1m n PRO 23 Ca 0.08 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1x1m n PRO 23 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.29 0.48 -4.41 1.53 4.77 -1.26 -4.99 117.00 111.82 1x1m n LEU 24 Ca 0.07 -0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 1x1m n LEU 24 Cb 0.12 0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1x1m n LEU 24 CO 0.11 0.56 -0.11 0.00 -1.33 0.00 0.00 177.39 176.62 1x1m n ALA 25 N -2.82 -1.64 -1.78 -1.18 0.00 -1.04 -4.89 120.51 107.17 1x1m n ALA 25 Ca -0.35 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1x1m n ALA 25 Cb 1.13 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.79 4.46 0.60 0.00 0.04 -1.26 -4.90 135.00 132.15 1x1m s PRO 26 Ca 0.66 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.57 1x1m s PRO 26 Cb -0.47 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1x1m s PRO 26 CO 0.57 -0.04 1.18 0.21 0.04 0.00 0.00 177.00 178.96 1x1m s LYS 27 N -1.59 2.97 -0.00 4.56 2.20 -1.26 -4.93 119.74 121.69 1x1m s LYS 27 Ca 0.48 1.72 0.04 0.00 -0.36 0.00 0.00 55.97 57.84 1x1m s LYS 27 Cb -0.37 -1.94 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 1x1m s LYS 27 CO 0.48 -1.18 -0.14 -1.12 -0.36 0.00 0.00 175.35 173.03 1x1m s SER 28 N -1.79 1.64 -0.17 1.43 0.01 -0.81 -4.98 113.70 109.03 1x1m s SER 28 Ca 0.75 -0.28 -0.08 0.00 1.31 0.00 0.00 55.95 57.65 1x1m s SER 28 Cb -0.27 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1x1m s SER 28 CO 0.33 0.16 0.12 -0.63 0.41 0.00 0.00 173.24 173.63 1x1m s ILE 29 N -0.39 5.30 -0.18 1.44 -1.09 -1.26 0.42 121.20 125.43 1x1m s ILE 29 Ca 0.05 0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.58 1x1m s ILE 29 Cb -0.06 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1x1m s ILE 29 CO -0.00 0.51 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.93 1x1m s LEU 30 N -0.11 2.92 -0.44 2.97 2.96 -0.64 -4.98 118.68 121.35 1x1m s LEU 30 Ca 0.10 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1x1m s LEU 30 Cb -0.12 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.94 1x1m s LEU 30 CO 0.00 0.07 0.31 -1.10 -1.32 0.00 0.00 176.35 174.31 1x1m s GLN 31 N 0.95 2.69 0.54 1.98 -1.52 -1.26 -2.70 119.66 120.34 1x1m s GLN 31 Ca -0.01 -1.48 -0.18 0.00 -1.95 0.00 0.00 55.36 51.74 1x1m s GLN 31 Cb -0.15 -3.90 -0.06 0.00 -0.22 0.00 0.00 33.01 28.68 1x1m s GLN 31 CO 0.00 -1.02 1.06 -0.48 -0.25 0.00 0.00 175.29 174.60 1x1m s LEU 32 N 1.48 3.69 -0.10 2.90 0.05 -1.25 -4.97 118.68 120.47 1x1m s LEU 32 Ca 0.04 1.91 -0.29 0.00 0.05 0.00 0.00 54.13 55.83 1x1m s LEU 32 Cb -0.24 -4.55 -0.04 0.00 -2.05 0.00 0.00 46.19 39.31 1x1m s LEU 32 CO 0.03 -1.00 1.53 -2.16 -0.55 0.00 0.00 176.35 174.20 1x1m s PRO 33 N -3.60 4.18 0.75 1.48 0.04 -1.26 -4.79 135.00 131.80 1x1m s PRO 33 Ca 0.66 1.99 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 1x1m s PRO 33 Cb -0.17 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.40 1x1m s PRO 33 CO 0.28 -0.83 0.30 -0.85 0.04 0.00 0.00 177.00 175.94 1x1m n GLU 34 N 7.00 0.17 -4.23 4.56 0.00 -1.26 -5.00 120.64 121.87 1x1m n GLU 34 Ca 0.16 0.09 -0.27 0.00 0.00 0.00 0.00 57.16 57.14 1x1m n GLU 34 Cb 0.44 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 30.14 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1x1m s THR 35 N -1.98 3.52 0.23 3.84 -1.32 -1.26 -5.01 115.64 113.66 1x1m s THR 35 Ca 0.61 -1.49 0.36 0.00 -1.21 0.00 0.00 61.69 59.96 1x1m s THR 35 Cb -0.33 -2.75 0.39 0.00 -1.51 0.00 0.00 72.50 68.29 1x1m s THR 35 CO 0.63 -0.09 2.08 1.05 -2.21 0.00 0.00 174.62 176.07 1x1m h GLU 36 N 2.85 0.00 -0.03 7.08 4.11 -2.06 -2.88 114.58 123.66 1x1m h GLU 36 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 1x1m h GLU 36 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1x1m h GLU 36 CO 0.56 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.57 1x1m h LEU 37 N 0.00 0.04 0.00 3.06 -0.00 -2.01 -3.49 115.31 112.91 1x1m h LEU 37 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1x1m h LEU 37 Cb 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1x1m h LEU 37 CO 0.00 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 179.38 1x1m n GLY 38 N -0.30 -0.33 0.09 0.83 0.00 -1.09 -4.96 105.19 99.43 1x1m n GLY 38 Ca -0.07 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 0.66 -0.94 1.61 -0.00 -1.26 -4.41 120.64 116.30 1x1m n GLU 39 Ca 0.00 0.14 -0.37 0.00 -0.00 0.00 0.00 57.16 56.94 1x1m n GLU 39 Cb 0.00 -1.66 0.06 0.00 -0.00 0.00 0.00 31.44 29.84 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 -2.89 -2.51 -1.09 -1.84 4.11 -1.26 -4.24 117.16 107.44 1x1m n TYR 40 Ca -0.24 0.35 -0.23 0.00 -0.00 0.00 0.00 57.90 57.77 1x1m n TYR 40 Cb 1.10 -1.45 -0.14 0.00 -0.00 0.00 0.00 39.34 38.85 1x1m n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x1m n SER 41 N 2.39 -0.38 -0.29 9.48 2.88 -1.26 -4.70 113.62 121.73 1x1m n SER 41 Ca -0.01 -0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.38 1x1m n SER 41 Cb 0.66 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.57 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1m n LEU 42 N 5.96 -0.60 -3.55 2.46 4.77 -1.26 -4.82 117.00 119.94 1x1m n LEU 42 Ca 0.49 1.29 -0.32 0.00 -0.03 0.00 0.00 56.01 57.43 1x1m n LEU 42 Cb 0.06 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1x1m n LEU 42 CO 0.74 -1.11 -0.24 0.61 -1.33 0.00 0.00 177.39 176.06 1x1m n GLY 43 N -1.28 -0.39 0.00 -0.72 0.00 -1.26 -4.67 105.19 96.87 1x1m n GLY 43 Ca 0.05 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.68 1.25 3.57 -0.02 0.00 -1.26 -4.87 105.19 103.18 1x1m n GLY 44 Ca -0.15 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.32 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 1.09 -3.27 1.61 4.02 -1.26 -4.77 117.16 114.58 1x1m n TYR 45 Ca 0.00 0.73 -0.39 0.00 -0.01 0.00 0.00 57.90 58.23 1x1m n TYR 45 Cb 0.00 -2.22 -0.06 0.00 -0.02 0.00 0.00 39.34 37.03 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1x1m s SER 46 N -0.51 6.66 0.33 7.72 0.01 -1.26 -2.63 113.70 124.02 1x1m s SER 46 Ca 0.62 0.79 0.10 0.00 1.31 0.00 0.00 55.95 58.77 1x1m s SER 46 Cb -0.75 -2.30 0.99 0.00 0.21 0.00 0.00 66.02 64.17 1x1m s SER 46 CO 0.58 -0.08 1.61 0.40 0.41 0.00 0.00 173.24 176.16 1x1m h ILE 47 N 4.88 0.13 -0.81 1.44 1.08 -1.74 0.13 117.51 122.61 1x1m h ILE 47 Ca -0.38 -0.04 0.14 0.00 -0.39 0.00 0.00 64.86 64.19 1x1m h ILE 47 Cb 1.17 0.01 -0.14 0.00 -3.07 0.00 0.00 36.82 34.79 1x1m h ILE 47 CO 0.75 0.02 -0.32 -1.28 -0.69 0.00 0.00 178.15 176.63 1x1m h SER 48 N 0.11 -1.15 -0.20 1.72 0.87 -1.82 -1.27 113.55 111.81 1x1m h SER 48 Ca 0.69 0.27 0.03 0.00 -1.23 0.00 0.00 61.79 61.54 1x1m h SER 48 Cb 1.61 0.63 -0.05 0.00 -0.44 0.00 0.00 62.40 64.15 1x1m h SER 48 CO -0.76 -0.29 -0.34 0.15 -0.53 0.00 0.00 176.83 175.06 1x1m h PHE 49 N -0.06 -1.02 -0.50 2.24 3.57 -1.12 -2.01 116.94 118.04 1x1m h PHE 49 Ca 0.32 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.96 1x1m h PHE 49 Cb 0.59 0.47 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 1x1m h PHE 49 CO -0.73 -0.31 -0.33 -0.07 -2.23 0.00 0.00 178.31 174.64 1x1m h LEU 50 N -0.27 -1.12 -1.21 0.59 3.38 -1.36 0.58 115.31 115.89 1x1m h LEU 50 Ca 0.04 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.40 1x1m h LEU 50 Cb 0.38 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1x1m h LEU 50 CO -0.33 -0.31 0.91 0.11 0.09 0.00 0.00 178.44 178.91 1x1m h LYS 51 N -0.20 0.00 0.06 1.13 1.57 -0.55 0.45 116.57 119.02 1x1m h LYS 51 Ca 0.20 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.70 1x1m h LYS 51 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1x1m h LYS 51 CO -0.61 0.00 -1.51 1.96 -0.57 0.00 0.00 179.45 178.72 1x1m h GLN 52 N 0.00 0.13 -0.16 3.15 4.20 0.51 -3.20 115.11 119.73 1x1m h GLN 52 Ca 0.29 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1x1m h GLN 52 Cb 2.11 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.95 1x1m h GLN 52 CO -0.00 1.10 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.19 1x1m h LEU 53 N -0.54 -0.07 0.41 1.46 4.07 0.64 0.87 115.31 122.16 1x1m h LEU 53 Ca -0.36 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 1x1m h LEU 53 Cb 1.61 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.42 1x1m h LEU 53 CO -0.07 -0.01 -0.20 0.40 -1.08 0.00 0.00 178.44 177.48 1x1m h ILE 54 N 0.05 0.59 -0.05 1.22 5.03 -1.26 -1.98 117.51 121.10 1x1m h ILE 54 Ca 0.07 -0.03 0.02 0.00 -0.12 0.00 0.00 64.86 64.79 1x1m h ILE 54 Cb 0.09 0.61 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1x1m h ILE 54 CO -0.13 0.01 0.07 0.00 -0.68 0.00 0.00 178.15 177.42 1x1m h ALA 55 N 0.01 1.52 0.00 1.87 0.00 -1.52 0.95 119.26 122.08 1x1m h ALA 55 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x1m h ALA 55 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x1m h ALA 55 CO 0.09 -0.10 -0.15 0.78 0.00 0.00 0.00 179.25 179.87 1x1m h GLY 56 N 0.00 0.00 0.17 0.00 0.00 -0.15 -3.02 103.07 100.07 1x1m h GLY 56 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.99 1x1m h GLY 56 CO -0.00 0.00 -2.29 0.28 0.00 0.00 0.00 176.54 174.53 1x1m n LYS 57 N -2.77 0.68 -0.82 4.80 4.76 0.12 -4.26 118.16 120.67 1x1m n LYS 57 Ca 0.04 0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.54 1x1m n LYS 57 Cb 0.50 -1.57 0.28 0.00 -1.84 0.00 0.00 35.03 32.41 1x1m n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x1m n LEU 58 N -2.92 5.26 0.26 -0.35 4.77 -0.02 -4.54 117.00 119.46 1x1m n LEU 58 Ca -0.33 -2.71 0.10 0.00 -0.03 0.00 0.00 56.01 53.04 1x1m n LEU 58 Cb 1.11 -0.69 0.41 0.00 -2.33 0.00 0.00 43.42 41.91 1x1m n LEU 58 CO 0.40 0.67 1.09 1.56 -1.33 0.00 0.00 177.39 179.78 1x1m h GLN 59 N 2.62 0.00 -0.97 3.23 4.20 -1.67 0.31 115.11 122.83 1x1m h GLN 59 Ca 0.15 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.95 1x1m h GLN 59 Cb 1.96 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.67 1x1m h GLN 59 CO 0.55 0.00 0.61 1.05 -0.67 0.00 0.00 178.83 180.37 1x1m h GLU 60 N 0.00 1.01 0.00 1.46 4.11 -1.89 -3.31 114.58 115.95 1x1m h GLU 60 Ca 0.07 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 1x1m h GLU 60 Cb 1.53 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1x1m h GLU 60 CO -0.00 0.67 -1.52 0.43 0.07 0.00 0.00 179.01 178.65 1x1m n SER 61 N -4.59 3.28 -4.60 3.06 7.64 0.89 -4.95 113.62 114.36 1x1m n SER 61 Ca 0.16 -0.05 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1x1m n SER 61 Cb 0.26 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.18 4.38 -0.02 0.44 1.01 0.01 -4.93 120.40 119.10 1x1m s VAL 62 Ca -0.12 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.85 1x1m s VAL 62 Cb 0.03 -4.49 -0.20 0.00 0.00 0.00 0.00 36.38 31.73 1x1m s VAL 62 CO 0.21 -0.78 1.23 1.55 0.00 0.00 0.00 175.10 177.31 1x1m h PRO 63 N 8.82 -0.05 -4.17 2.72 0.13 -1.87 -3.35 132.00 134.23 1x1m h PRO 63 Ca -0.23 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.64 1x1m h PRO 63 Cb 1.07 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.95 1x1m h PRO 63 CO 1.07 0.43 -0.73 -0.51 -0.23 0.00 0.00 178.00 178.02 1x1m s ASP 64 N -5.63 0.46 0.10 1.44 1.11 -1.26 -5.03 116.67 107.86 1x1m s ASP 64 Ca -0.16 -0.23 0.18 0.00 0.18 0.00 0.00 52.55 52.53 1x1m s ASP 64 Cb 0.02 -0.00 0.75 0.00 1.07 0.00 0.00 42.92 44.75 1x1m s ASP 64 CO 0.65 -0.06 1.55 -0.81 1.18 0.00 0.00 175.17 177.68 1x1m n PRO 65 N 2.47 0.08 -0.06 8.23 -0.04 -1.26 -2.55 135.00 141.87 1x1m n PRO 65 Ca -0.16 0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1x1m n PRO 65 Cb 0.57 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1x1m n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x1m n GLU 66 N -1.79 0.66 -0.23 0.54 1.02 -1.26 -4.10 120.64 115.49 1x1m n GLU 66 Ca 0.03 0.15 0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1x1m n GLU 66 Cb 0.19 -1.66 0.10 0.00 -0.02 0.00 0.00 31.44 30.05 1x1m n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1m n LEU 67 N -2.92 2.30 -4.11 -4.62 4.77 -1.06 -4.83 117.00 106.53 1x1m n LEU 67 Ca -0.25 -1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 54.48 1x1m n LEU 67 Cb 1.10 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1x1m n LEU 67 CO 0.44 0.36 -0.31 0.27 -1.33 0.00 0.00 177.39 176.82 1x1m s ILE 68 N -1.40 0.15 0.13 -0.08 -5.25 -1.23 -2.60 121.20 110.92 1x1m s ILE 68 Ca 0.14 -1.84 0.06 0.00 -0.99 0.00 0.00 60.65 58.02 1x1m s ILE 68 Cb 0.10 -1.81 -0.04 0.00 2.95 0.00 0.00 42.46 43.67 1x1m s ILE 68 CO 0.04 -0.68 -0.14 -1.81 -1.79 0.00 0.00 174.94 170.56 1x1m s ASP 69 N -2.99 2.06 -0.12 4.36 1.01 -0.39 -4.89 116.67 115.70 1x1m s ASP 69 Ca 0.17 -0.85 -0.03 0.00 0.71 0.00 0.00 52.55 52.54 1x1m s ASP 69 Cb 0.08 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 1x1m s ASP 69 CO -0.03 -0.16 -0.01 -0.22 0.21 0.00 0.00 175.17 174.96 1x1m s LEU 70 N -2.61 3.47 -0.07 1.23 2.96 -1.26 -0.97 118.68 121.43 1x1m s LEU 70 Ca 0.11 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1x1m s LEU 70 Cb -0.04 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1x1m s LEU 70 CO 0.03 0.27 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.48 1x1m s ILE 71 N -0.26 2.22 -0.01 6.68 -1.09 0.27 -1.69 121.20 127.32 1x1m s ILE 71 Ca 0.06 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1x1m s ILE 71 Cb -0.12 -1.83 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1x1m s ILE 71 CO 0.02 0.57 0.00 -0.47 -1.23 0.00 0.00 174.94 173.83 1x1m s TYR 72 N -0.09 0.12 -1.59 3.97 5.04 -0.34 -0.27 117.35 124.19 1x1m s TYR 72 Ca -0.05 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1x1m s TYR 72 Cb -0.14 -0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1x1m s TYR 72 CO 0.04 -0.05 0.00 0.00 -1.34 0.00 0.00 175.55 174.21 1x1m n GLY 74 N -0.75 0.61 2.97 0.00 0.00 -1.26 -5.02 105.19 101.73 1x1m n GLY 74 Ca -0.20 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.25 0.13 0.73 1.61 1.70 0.59 -5.15 118.95 116.31 1x1m s ARG 75 Ca 0.00 0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 55.62 1x1m s ARG 75 Cb 0.00 -0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.24 1x1m s ARG 75 CO 0.00 -0.21 0.97 1.17 -1.08 0.00 0.00 175.30 176.15 1x1m n LYS 76 N 4.58 0.48 -4.91 3.89 4.81 -1.26 -1.19 118.16 124.55 1x1m n LYS 76 Ca -0.19 0.22 -0.32 0.00 -0.87 0.00 0.00 58.31 57.14 1x1m n LYS 76 Cb 0.51 -2.22 -0.16 0.00 0.02 0.00 0.00 35.03 33.18 1x1m n LYS 76 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x1m s LEU 77 N -3.15 2.27 0.56 3.14 1.43 -0.68 -4.80 118.68 117.45 1x1m s LEU 77 Ca 0.73 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1x1m s LEU 77 Cb -0.34 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1x1m s LEU 77 CO 0.51 0.13 1.01 -0.54 0.23 0.00 0.00 176.35 177.68 1x1m s LYS 78 N 0.52 3.78 0.00 1.70 1.02 -1.26 -4.67 119.74 120.83 1x1m s LYS 78 Ca -0.13 0.87 0.27 0.00 0.02 0.00 0.00 55.97 57.00 1x1m s LYS 78 Cb -0.17 -2.11 1.61 0.00 -0.52 0.00 0.00 37.83 36.64 1x1m s LYS 78 CO 0.05 -0.41 1.97 -0.40 -0.92 0.00 0.00 175.35 175.64 1x1m n ASP 79 N -2.11 0.00 -0.07 2.83 5.68 -1.26 -2.56 116.55 119.06 1x1m n ASP 79 Ca 0.06 -0.80 0.11 0.00 -0.50 0.00 0.00 54.79 53.66 1x1m n ASP 79 Cb 0.54 -0.02 0.02 0.00 -1.14 0.00 0.00 41.12 40.52 1x1m n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1x1m n ASP 80 N -1.02 0.98 -4.82 -1.12 2.03 -1.26 -4.26 116.55 107.08 1x1m n ASP 80 Ca 0.20 -0.85 -0.22 0.00 0.52 0.00 0.00 54.79 54.44 1x1m n ASP 80 Cb 0.10 0.69 0.08 0.00 -0.72 0.00 0.00 41.12 41.28 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x1m s GLN 81 N -2.92 2.00 0.12 -0.67 1.11 -1.06 -5.01 119.66 113.24 1x1m s GLN 81 Ca 0.11 -1.20 0.01 0.00 0.01 0.00 0.00 55.36 54.29 1x1m s GLN 81 Cb 0.17 -2.45 -0.04 0.00 -1.01 0.00 0.00 33.01 29.68 1x1m s GLN 81 CO 0.77 -1.15 -0.03 0.95 0.01 0.00 0.00 175.29 175.84 1x1m s THR 82 N -2.94 0.60 0.29 -0.19 -4.23 -1.26 -2.79 115.64 105.12 1x1m s THR 82 Ca 0.63 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1x1m s THR 82 Cb -0.06 -1.84 0.30 0.00 1.34 0.00 0.00 72.50 72.23 1x1m s THR 82 CO 0.42 -0.72 1.68 -0.07 -0.54 0.00 0.00 174.62 175.39 1x1m h LEU 83 N 2.88 0.26 0.09 4.79 -0.00 -1.80 -0.79 115.31 120.73 1x1m h LEU 83 Ca -0.36 0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1x1m h LEU 83 Cb 1.18 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1x1m h LEU 83 CO 0.64 -0.05 -0.04 -0.78 -0.00 0.00 0.00 178.44 178.20 1x1m h ASP 84 N 0.34 -0.10 -0.74 -0.43 1.82 -1.89 0.56 116.42 115.98 1x1m h ASP 84 Ca 0.57 -0.33 0.16 0.00 -0.39 0.00 0.00 57.03 57.04 1x1m h ASP 84 Cb 1.12 0.03 -0.14 0.00 0.68 0.00 0.00 39.33 41.01 1x1m h ASP 84 CO -0.57 0.29 -0.14 0.33 -1.61 0.00 0.00 179.24 177.54 1x1m n PHE 85 N -4.96 0.31 -0.00 0.28 -0.00 -0.32 0.86 117.46 113.62 1x1m n PHE 85 Ca -0.08 0.90 -0.01 0.00 -0.00 0.00 0.00 57.45 58.26 1x1m n PHE 85 Cb 0.22 -0.96 -0.11 0.00 -0.00 0.00 0.00 39.48 38.63 1x1m n PHE 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1x1m n TYR 86 N -5.17 0.64 -1.12 -5.13 4.01 -1.12 -4.99 117.16 104.28 1x1m n TYR 86 Ca 0.13 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1x1m n TYR 86 Cb 0.41 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.45 1x1m n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x1m n GLY 87 N 1.46 0.81 3.60 2.72 0.00 0.25 -5.01 105.19 109.01 1x1m n GLY 87 Ca -0.14 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.89 1.81 -3.99 -0.61 5.41 0.02 -4.97 119.36 114.14 1x1m n ILE 88 Ca 0.00 -0.45 -0.30 0.00 1.00 0.00 0.00 62.75 62.99 1x1m n ILE 88 Cb 0.23 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.06 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 -1.38 3.14 0.00 0.38 1.11 -1.26 -4.87 119.66 116.78 1x1m s GLN 89 Ca 0.61 -0.59 0.12 0.00 0.01 0.00 0.00 55.36 55.50 1x1m s GLN 89 Cb -0.71 -2.86 0.69 0.00 -1.01 0.00 0.00 33.01 29.12 1x1m s GLN 89 CO 0.59 0.58 1.12 -0.35 0.01 0.00 0.00 175.29 177.24 1x1m n PRO 90 N 0.29 0.49 -0.45 2.91 -0.04 -1.26 -2.33 135.00 134.62 1x1m n PRO 90 Ca -0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1x1m n PRO 90 Cb 0.52 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.71 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 3.41 3.93 0.55 0.00 -1.26 -4.10 105.19 107.70 1x1m n GLY 91 Ca 0.09 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1m n SER 92 N -0.79 1.94 -3.86 1.61 3.41 -0.98 -4.96 113.62 109.98 1x1m n SER 92 Ca 0.12 -2.45 -0.21 0.00 -0.26 0.00 0.00 58.87 56.07 1x1m n SER 92 Cb 0.72 -0.48 -0.17 0.00 -0.26 0.00 0.00 64.21 64.03 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x1m s THR 93 N -2.74 0.49 0.50 6.66 2.01 -1.26 -2.83 115.64 118.48 1x1m s THR 93 Ca 0.63 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.64 1x1m s THR 93 Cb -0.05 -0.55 0.04 0.00 0.01 0.00 0.00 72.50 71.95 1x1m s THR 93 CO 0.40 0.23 0.59 0.68 -0.69 0.00 0.00 174.62 175.83 1x1m s VAL 94 N 1.16 2.36 -0.04 3.82 -7.23 -1.21 -4.63 120.40 114.63 1x1m s VAL 94 Ca -0.07 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1x1m s VAL 94 Cb -0.14 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1x1m s VAL 94 CO -0.01 0.00 0.09 -1.00 -0.31 0.00 0.00 175.10 173.87 1x1m s HIS 95 N -2.57 -0.08 0.01 2.82 3.76 0.63 -1.94 115.29 117.92 1x1m s HIS 95 Ca 0.53 0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 55.61 1x1m s HIS 95 Cb -0.06 -0.12 -0.06 0.00 1.11 0.00 0.00 32.58 33.45 1x1m s HIS 95 CO 0.32 -0.12 0.41 0.08 -0.85 0.00 0.00 174.74 174.58 1x1m s VAL 96 N 0.97 5.04 -0.11 -0.90 1.01 -0.85 0.95 120.40 126.51 1x1m s VAL 96 Ca -0.08 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1x1m s VAL 96 Cb -0.10 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1x1m s VAL 96 CO -0.04 0.53 -0.13 -0.22 0.00 0.00 0.00 175.10 175.24 1x1m s LEU 97 N -1.21 1.59 0.13 3.92 1.98 -0.14 -1.84 118.68 123.11 1x1m s LEU 97 Ca 0.25 -0.38 -0.31 0.00 -2.89 0.00 0.00 54.13 50.80 1x1m s LEU 97 Cb -0.16 -1.00 -0.08 0.00 0.66 0.00 0.00 46.19 45.61 1x1m s LEU 97 CO 0.14 -0.02 1.42 -0.13 -1.89 0.00 0.00 176.35 175.87 1x1m s ARG 98 N 1.12 4.30 -0.02 1.98 1.81 -1.26 -1.26 118.95 125.62 1x1m s ARG 98 Ca -0.05 2.13 -0.18 0.00 -1.72 0.00 0.00 55.73 55.91 1x1m s ARG 98 Cb -0.14 -3.22 -0.10 0.00 -0.45 0.00 0.00 34.95 31.03 1x1m s ARG 98 CO -0.03 -0.46 0.78 0.87 -0.68 0.00 0.00 175.30 175.79 1x1m h LYS 99 N 6.70 -0.63 -4.11 3.54 1.57 -1.84 -3.48 116.57 118.32 1x1m h LYS 99 Ca -0.42 0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.12 1x1m h LYS 99 Cb 1.21 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.59 1x1m h LYS 99 CO 0.87 -0.42 -0.18 0.45 -0.57 0.00 0.00 179.45 179.60 1x1m s SER 100 N -4.59 0.96 0.58 0.86 0.15 -1.26 -5.11 113.70 105.29 1x1m s SER 100 Ca -0.10 -1.50 -0.19 0.00 0.70 0.00 0.00 55.95 54.86 1x1m s SER 100 Cb 0.01 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1x1m s SER 100 CO 0.29 -1.32 1.21 0.86 1.20 0.00 0.00 173.24 175.48 1x1m s TRP 101 N -2.98 2.42 0.00 3.44 -0.00 -1.26 -4.98 118.94 115.58 1x1m s TRP 101 Ca 0.30 1.51 0.00 0.00 -0.00 0.00 0.00 56.10 57.91 1x1m s TRP 101 Cb -0.01 -3.49 0.00 0.00 -0.00 0.00 0.00 33.47 29.97 1x1m s TRP 101 CO 0.21 -2.20 0.84 0.43 -0.00 0.00 0.00 176.95 176.23 1x1m n SER 102 N -1.45 0.00 0.00 5.86 7.64 -1.26 -5.03 113.62 119.38 1x1m n SER 102 Ca 0.13 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1x1m n SER 102 Cb 0.49 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 103 N -0.84 0.88 3.55 0.23 0.00 -1.26 -5.03 105.19 102.72 1x1m n GLY 103 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1x1m n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1m s PRO 104 N -0.23 2.62 -0.02 1.61 0.04 -1.26 -4.86 135.00 132.90 1x1m s PRO 104 Ca 0.00 0.49 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1x1m s PRO 104 Cb 0.00 -4.48 -0.13 0.00 0.04 0.00 0.00 34.50 29.93 1x1m s PRO 104 CO 0.00 -2.82 0.92 1.03 0.04 0.00 0.00 177.00 176.17 1x1m h SER 105 N 14.48 -0.41 -3.83 6.66 0.87 -2.06 -3.44 113.55 125.82 1x1m h SER 105 Ca -0.21 -0.13 -0.48 0.00 -1.23 0.00 0.00 61.79 59.74 1x1m h SER 105 Cb 1.14 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1x1m h SER 105 CO 1.22 0.03 0.29 -0.55 -0.53 0.00 0.00 176.83 177.29 1x1m s SER 106 N -5.04 7.25 0.00 6.23 0.15 -1.26 -5.36 113.70 115.67 1x1m s SER 106 Ca -0.12 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1x1m s SER 106 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1x1m s SER 106 CO 0.41 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.39