#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1men s ILE 1 N 0.00 4.63 -0.15 5.15 -1.09 0.13 -4.85 121.20 125.01 1men s ILE 1 Ca 0.00 1.90 -0.28 0.00 -2.23 0.00 0.00 60.65 60.04 1men s ILE 1 Cb 0.00 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1men s ILE 1 CO 0.00 0.04 0.95 -0.76 -1.23 0.00 0.00 174.94 173.93 1men s LEU 2 N 1.84 4.19 -0.02 2.97 1.43 -1.26 -1.06 118.68 126.77 1men s LEU 2 Ca 0.51 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 1men s LEU 2 Cb -0.21 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1men s LEU 2 CO 0.21 -0.47 -0.13 -0.69 0.23 0.00 0.00 176.35 175.50 1men s VAL 3 N 2.30 3.17 -0.09 -1.59 1.01 0.55 -0.38 120.40 125.38 1men s VAL 3 Ca 0.44 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1men s VAL 3 Cb -0.17 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1men s VAL 3 CO 0.13 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.49 1men s ALA 4 N -0.85 2.25 -0.20 5.51 0.00 -0.43 -0.99 121.76 127.05 1men s ALA 4 Ca 0.14 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1men s ALA 4 Cb -0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1men s ALA 4 CO 0.03 0.35 -0.06 0.08 0.00 0.00 0.00 175.76 176.16 1men s VAL 5 N 0.10 3.31 -0.14 0.00 1.01 -1.05 -0.55 120.40 123.09 1men s VAL 5 Ca -0.11 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1men s VAL 5 Cb -0.16 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1men s VAL 5 CO 0.06 0.45 0.20 -0.76 0.00 0.00 0.00 175.10 175.05 1men s LEU 6 N 1.21 4.31 0.21 3.92 1.43 0.39 -1.93 118.68 128.22 1men s LEU 6 Ca 0.02 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1men s LEU 6 Cb -0.14 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1men s LEU 6 CO -0.02 0.27 0.07 0.27 0.23 0.00 0.00 176.35 177.17 1men s ILE 7 N -0.30 0.44 0.00 -0.59 -4.36 0.07 -0.67 121.20 115.79 1men s ILE 7 Ca 0.14 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1men s ILE 7 Cb -0.12 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1men s ILE 7 CO 0.03 -0.20 0.00 -1.20 0.24 0.00 0.00 174.94 173.81 1men n SER 8 N -0.32 0.20 0.00 4.36 7.64 -1.17 -2.96 113.62 121.37 1men n SER 8 Ca -0.02 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1men n SER 8 Cb 0.65 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1men n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1men n GLY 9 N 0.31 3.84 0.29 0.23 0.00 -1.26 -4.73 105.19 103.88 1men n GLY 9 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1men n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1men h THR 10 N 0.00 0.27 0.00 2.61 2.02 -1.93 -1.50 112.91 114.38 1men h THR 10 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1men h THR 10 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1men h THR 10 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1men n GLY 11 N -1.43 0.78 0.33 2.16 0.00 -1.26 -1.04 105.19 104.72 1men n GLY 11 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1men n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1men h SER 12 N 0.00 0.98 -0.43 1.61 4.64 -1.93 0.33 113.55 118.74 1men h SER 12 Ca 0.00 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1men h SER 12 Cb 0.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1men h SER 12 CO 0.00 0.70 -0.11 0.78 -0.87 0.00 0.00 176.83 177.33 1men h ASN 13 N 1.15 0.90 -0.44 4.97 2.35 -1.93 -1.43 115.58 121.14 1men h ASN 13 Ca 0.32 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1men h ASN 13 Cb -0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 37.98 1men h ASN 13 CO -0.08 1.02 0.27 0.25 -1.65 0.00 0.00 177.43 177.24 1men h LEU 14 N 0.81 0.44 -0.03 1.61 5.85 -1.56 -1.78 115.31 120.64 1men h LEU 14 Ca 0.13 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1men h LEU 14 Cb 0.64 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1men h LEU 14 CO 0.04 0.31 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.75 1men h GLN 15 N 0.54 -0.14 -0.70 1.25 5.75 0.10 -0.20 115.11 121.70 1men h GLN 15 Ca 0.18 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.77 1men h GLN 15 Cb 0.00 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 1men h GLN 15 CO -0.08 -0.09 0.46 0.00 -2.65 0.00 0.00 178.83 176.47 1men h ALA 16 N 0.86 1.83 -0.13 3.38 0.00 -0.98 -0.14 119.26 124.07 1men h ALA 16 Ca 0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1men h ALA 16 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1men h ALA 16 CO -0.12 0.04 -0.66 -0.07 0.00 0.00 0.00 179.25 178.44 1men h LEU 17 N 0.63 0.60 0.02 0.00 3.38 -0.65 -1.84 115.31 117.45 1men h LEU 17 Ca 0.32 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1men h LEU 17 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1men h LEU 17 CO -0.11 1.09 -0.01 0.40 0.09 0.00 0.00 178.44 179.91 1men h ILE 18 N 0.37 1.08 -0.21 1.22 2.04 0.56 -0.84 117.51 121.72 1men h ILE 18 Ca -0.02 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1men h ILE 18 Cb 1.23 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1men h ILE 18 CO 0.12 0.07 0.06 0.44 0.00 0.00 0.00 178.15 178.84 1men h ASP 19 N -0.15 0.05 0.33 1.72 3.32 -1.03 -0.23 116.42 120.43 1men h ASP 19 Ca -0.00 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1men h ASP 19 Cb 0.14 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1men h ASP 19 CO 0.00 0.06 -0.29 0.77 -1.72 0.00 0.00 179.24 178.07 1men h SER 20 N 0.15 0.00 1.44 6.45 4.64 -1.28 -1.99 113.55 122.96 1men h SER 20 Ca 0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1men h SER 20 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1men h SER 20 CO -0.11 0.29 -0.37 0.74 -0.87 0.00 0.00 176.83 176.51 1men h THR 21 N 0.00 0.68 -0.20 2.95 2.02 -0.66 -2.85 112.91 114.85 1men h THR 21 Ca -0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1men h THR 21 Cb 0.53 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1men h THR 21 CO 0.04 0.36 0.00 0.54 0.37 0.00 0.00 175.52 176.83 1men n ARG 22 N -3.25 1.61 -2.88 6.66 5.12 -0.14 -4.73 116.66 119.05 1men n ARG 22 Ca 0.02 -0.94 -0.34 0.00 -1.93 0.00 0.00 57.85 54.66 1men n ARG 22 Cb 0.64 -1.31 -0.07 0.00 -1.16 0.00 0.00 32.46 30.57 1men n ARG 22 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1men s GLU 23 N -1.74 4.27 0.21 5.56 2.56 -1.08 -4.99 118.70 123.49 1men s GLU 23 Ca 0.26 1.07 -0.16 0.00 0.00 0.00 0.00 54.97 56.14 1men s GLU 23 Cb 0.14 -2.39 0.21 0.00 2.00 0.00 0.00 34.13 34.09 1men s GLU 23 CO 0.20 0.09 1.60 -1.00 -0.56 0.00 0.00 175.26 175.58 1men h PRO 24 N 2.32 -0.07 -0.40 4.30 0.13 -1.89 -2.72 132.00 133.66 1men h PRO 24 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1men h PRO 24 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1men h PRO 24 CO 0.63 -0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 1men n ASN 25 N -5.46 2.27 -4.70 1.44 5.03 -1.26 -4.98 115.26 107.60 1men n ASN 25 Ca 0.07 -1.97 -0.40 0.00 0.87 0.00 0.00 54.58 53.15 1men n ASN 25 Cb 0.37 -0.27 0.03 0.00 -1.02 0.00 0.00 39.78 38.88 1men n ASN 25 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1men n SER 26 N 0.74 2.31 -0.88 6.41 2.88 -1.03 -4.90 113.62 119.14 1men n SER 26 Ca 0.15 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1men n SER 26 Cb 0.37 -1.50 0.18 0.00 -0.75 0.00 0.00 64.21 62.50 1men n SER 26 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1men n SER 27 N -0.27 2.75 -4.15 -3.46 7.64 -1.26 -4.97 113.62 109.92 1men n SER 27 Ca 0.09 -1.91 -0.10 0.00 1.01 0.00 0.00 58.87 57.95 1men n SER 27 Cb 0.42 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 1men n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1men s ALA 28 N -1.98 0.86 0.01 -0.43 0.00 -1.26 0.17 121.76 119.13 1men s ALA 28 Ca 0.30 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1men s ALA 28 Cb 0.20 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1men s ALA 28 CO 0.31 -0.24 -0.04 1.14 0.00 0.00 0.00 175.76 176.93 1men s GLN 29 N -3.63 0.29 -0.35 0.00 -2.07 -0.22 -4.74 119.66 108.95 1men s GLN 29 Ca 0.09 -0.36 -0.22 0.00 -1.82 0.00 0.00 55.36 53.05 1men s GLN 29 Cb 0.04 -0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 1men s GLN 29 CO -0.05 0.03 0.71 0.42 -1.32 0.00 0.00 175.29 175.07 1men s ILE 30 N -0.68 4.83 -1.80 3.63 1.01 -1.26 -0.33 121.20 126.59 1men s ILE 30 Ca -0.06 0.80 0.21 0.00 0.00 0.00 0.00 60.65 61.61 1men s ILE 30 Cb -0.05 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1men s ILE 30 CO -0.00 -0.33 1.02 0.47 0.00 0.00 0.00 174.94 176.10 1men n ASP 31 N 6.18 1.82 -3.60 3.58 9.92 -0.16 -4.91 116.55 129.38 1men n ASP 31 Ca 0.01 -1.41 -0.09 0.00 -0.53 0.00 0.00 54.79 52.77 1men n ASP 31 Cb 0.48 0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 41.47 1men n ASP 31 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1men s ILE 32 N -2.49 0.00 -0.07 0.53 1.10 -1.23 -4.55 121.20 114.49 1men s ILE 32 Ca 0.16 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.32 1men s ILE 32 Cb 0.17 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.79 1men s ILE 32 CO 0.60 0.00 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.62 1men s VAL 33 N -0.85 1.09 -0.08 4.00 1.01 -0.65 -2.51 120.40 122.41 1men s VAL 33 Ca 0.01 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1men s VAL 33 Cb -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1men s VAL 33 CO -0.01 0.35 -0.22 -0.63 0.00 0.00 0.00 175.10 174.59 1men s ILE 34 N 0.71 2.33 -0.00 2.22 1.01 -0.81 -1.87 121.20 124.78 1men s ILE 34 Ca -0.14 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1men s ILE 34 Cb -0.16 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1men s ILE 34 CO 0.03 0.56 -0.19 -0.55 0.00 0.00 0.00 174.94 174.80 1men s SER 35 N -0.06 2.22 0.00 3.58 0.15 -0.60 -0.75 113.70 118.24 1men s SER 35 Ca -0.06 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.50 1men s SER 35 Cb -0.14 -0.23 0.99 0.00 -1.71 0.00 0.00 66.02 64.92 1men s SER 35 CO 0.05 0.21 1.71 -0.46 1.20 0.00 0.00 173.24 175.95 1men n ASN 36 N 2.48 0.99 -4.08 5.45 6.94 -1.16 -0.40 115.26 125.48 1men n ASN 36 Ca -0.15 -1.00 -0.26 0.00 -0.02 0.00 0.00 54.58 53.15 1men n ASN 36 Cb 0.54 0.05 -0.16 0.00 -2.36 0.00 0.00 39.78 37.84 1men n ASN 36 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1men s LYS 37 N -2.33 1.88 0.42 -3.83 1.02 -1.26 -3.92 119.74 111.72 1men s LYS 37 Ca 0.30 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 1men s LYS 37 Cb 0.20 -1.55 -0.07 0.00 -0.52 0.00 0.00 37.83 35.89 1men s LYS 37 CO 0.45 0.12 0.81 0.00 -0.92 0.00 0.00 175.35 175.81 1men s ALA 38 N 0.40 3.29 -0.41 5.17 0.00 -1.26 -4.23 121.76 124.73 1men s ALA 38 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1men s ALA 38 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1men s ALA 38 CO 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 175.76 175.76 1men n ALA 39 N -1.30 -0.06 -2.25 0.00 0.00 -1.26 -5.03 120.51 110.61 1men n ALA 39 Ca 0.03 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 1men n ALA 39 Cb 0.54 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1men n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1men s VAL 40 N -2.03 4.79 0.43 0.00 -7.23 -1.26 -4.98 120.40 110.11 1men s VAL 40 Ca 0.00 0.72 0.13 0.00 -1.81 0.00 0.00 61.98 61.02 1men s VAL 40 Cb 0.00 -3.63 0.33 0.00 0.56 0.00 0.00 36.38 33.64 1men s VAL 40 CO 0.00 -0.18 1.97 0.00 -0.31 0.00 0.00 175.10 176.58 1men h ALA 41 N 2.25 2.00 -0.35 1.32 0.00 -1.79 -1.44 119.26 121.25 1men h ALA 41 Ca -0.47 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.52 1men h ALA 41 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1men h ALA 41 CO 0.67 -0.14 0.25 0.78 0.00 0.00 0.00 179.25 180.81 1men h GLY 42 N 0.45 0.07 1.01 0.00 0.00 0.02 0.10 103.07 104.71 1men h GLY 42 Ca 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1men h GLY 42 CO -0.09 0.01 0.14 1.41 0.00 0.00 0.00 176.54 178.01 1men h LEU 43 N 0.05 0.88 -0.83 3.11 3.38 -1.50 -2.18 115.31 118.22 1men h LEU 43 Ca 0.16 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1men h LEU 43 Cb 0.59 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1men h LEU 43 CO -0.01 0.89 0.21 0.44 0.09 0.00 0.00 178.44 180.06 1men h ASP 44 N 0.83 1.01 -0.58 -0.43 3.32 -1.09 -1.55 116.42 117.93 1men h ASP 44 Ca 0.18 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1men h ASP 44 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1men h ASP 44 CO 0.00 0.94 0.19 0.11 -1.72 0.00 0.00 179.24 178.77 1men h LYS 45 N 1.04 0.94 -0.41 3.56 1.57 -0.99 0.24 116.57 122.53 1men h LYS 45 Ca 0.23 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1men h LYS 45 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1men h LYS 45 CO -0.01 0.81 -0.27 0.00 -0.57 0.00 0.00 179.45 179.41 1men h ALA 46 N 1.30 0.59 0.32 3.86 0.00 -1.07 -2.91 119.26 121.35 1men h ALA 46 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1men h ALA 46 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1men h ALA 46 CO -0.01 0.61 -0.16 1.49 0.00 0.00 0.00 179.25 181.18 1men h GLU 47 N 0.73 -0.42 0.00 0.00 4.81 -0.86 0.57 114.58 119.41 1men h GLU 47 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1men h GLU 47 Cb 0.85 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1men h GLU 47 CO 0.07 -0.12 0.00 0.54 -0.73 0.00 0.00 179.01 178.77 1men n ARG 48 N -5.16 0.08 0.00 1.92 1.74 0.82 0.56 116.66 116.62 1men n ARG 48 Ca -0.10 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.02 1men n ARG 48 Cb 0.26 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1men n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1men n ALA 49 N -0.98 2.50 -2.07 7.54 0.00 -0.81 -4.98 120.51 121.71 1men n ALA 49 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1men n ALA 49 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 1men n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1men n GLY 50 N 0.41 0.15 3.39 0.00 0.00 0.19 -5.02 105.19 104.32 1men n GLY 50 Ca 0.04 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1men n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1men s ILE 51 N -2.31 3.86 0.66 -0.61 1.01 0.19 -5.00 121.20 119.00 1men s ILE 51 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1men s ILE 51 Cb 0.00 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 1men s ILE 51 CO 0.00 0.39 1.24 -0.81 0.00 0.00 0.00 174.94 175.77 1men n PRO 52 N 4.71 0.98 -4.26 2.79 -0.04 -1.26 -3.86 135.00 134.06 1men n PRO 52 Ca -0.17 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 1men n PRO 52 Cb 0.51 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 1men n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1men s THR 53 N -1.48 0.67 -0.11 0.52 -4.23 -1.26 -1.64 115.64 108.10 1men s THR 53 Ca 0.81 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.24 1men s THR 53 Cb -0.37 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1men s THR 53 CO 0.42 -0.36 0.30 -0.13 -0.54 0.00 0.00 174.62 174.31 1men s ARG 54 N -3.94 0.32 -0.26 3.99 1.81 -0.78 -4.95 118.95 115.14 1men s ARG 54 Ca 0.27 0.46 -0.07 0.00 -1.72 0.00 0.00 55.73 54.68 1men s ARG 54 Cb 0.06 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1men s ARG 54 CO 0.06 -0.07 0.06 0.08 -0.68 0.00 0.00 175.30 174.75 1men s VAL 55 N 0.46 4.12 -0.48 3.52 1.01 -1.26 -1.56 120.40 126.22 1men s VAL 55 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1men s VAL 55 Cb -0.04 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.49 1men s VAL 55 CO -0.02 0.28 0.26 -0.63 0.00 0.00 0.00 175.10 174.98 1men s ILE 56 N 1.57 3.13 -0.40 2.22 1.01 0.46 -4.96 121.20 124.22 1men s ILE 56 Ca 0.05 -2.59 -0.29 0.00 0.00 0.00 0.00 60.65 57.83 1men s ILE 56 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1men s ILE 56 CO 0.03 -0.75 1.36 0.21 0.00 0.00 0.00 174.94 175.78 1men s ASN 57 N 0.97 6.43 0.54 3.58 3.84 -1.25 -3.99 114.94 125.06 1men s ASN 57 Ca 0.13 0.83 0.20 0.00 0.21 0.00 0.00 52.86 54.23 1men s ASN 57 Cb -0.22 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.33 1men s ASN 57 CO -0.04 -1.36 2.13 1.12 -2.79 0.00 0.00 177.10 176.17 1men h HIS 58 N 10.28 0.00 0.00 0.43 2.07 -1.95 -1.45 115.15 124.53 1men h HIS 58 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1men h HIS 58 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 1men h HIS 58 CO 0.96 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.45 1men n LYS 59 N -4.37 0.14 -0.13 5.12 5.02 -1.26 -2.01 118.16 120.67 1men n LYS 59 Ca -0.00 0.51 0.10 0.00 -2.02 0.00 0.00 58.31 56.89 1men n LYS 59 Cb 0.20 -1.84 0.30 0.00 -0.02 0.00 0.00 35.03 33.67 1men n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1men n LEU 60 N -2.11 2.16 -4.73 -0.35 4.77 -0.55 -4.92 117.00 111.27 1men n LEU 60 Ca 0.01 -0.95 -0.26 0.00 -0.03 0.00 0.00 56.01 54.78 1men n LEU 60 Cb 0.12 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1men n LEU 60 CO 0.13 0.47 -0.17 -0.31 -1.33 0.00 0.00 177.39 176.19 1men s TYR 61 N -1.65 2.51 -0.05 -1.77 1.51 -0.85 -5.06 117.35 111.98 1men s TYR 61 Ca 0.33 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1men s TYR 61 Cb 0.18 -1.92 -0.25 0.00 -0.11 0.00 0.00 41.96 39.86 1men s TYR 61 CO 0.26 0.19 0.63 0.87 -1.11 0.00 0.00 175.55 176.39 1men h LYS 62 N 1.43 0.12 -3.58 -0.62 1.57 -1.91 -3.50 116.57 110.09 1men h LYS 62 Ca -0.43 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 57.98 1men h LYS 62 Cb 1.26 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1men h LYS 62 CO 0.71 0.84 0.05 0.54 -0.57 0.00 0.00 179.45 181.02 1men s ASN 63 N -6.56 0.55 0.14 0.86 2.20 -1.26 -5.06 114.94 105.80 1men s ASN 63 Ca -0.10 -1.37 -0.16 0.00 -0.94 0.00 0.00 52.86 50.28 1men s ASN 63 Cb 0.07 0.77 -0.00 0.00 -2.00 0.00 0.00 41.25 40.09 1men s ASN 63 CO 0.81 -1.53 1.71 0.03 -2.94 0.00 0.00 177.10 175.19 1men h ARG 64 N 2.04 0.56 -0.64 3.55 3.08 -1.95 -2.58 114.38 118.44 1men h ARG 64 Ca -0.31 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 59.77 1men h ARG 64 Cb 1.24 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 1men h ARG 64 CO 0.40 0.50 0.20 0.28 -1.07 0.00 0.00 179.97 180.28 1men h VAL 65 N 0.49 0.69 -0.15 2.04 2.07 -1.97 0.28 116.25 119.70 1men h VAL 65 Ca 0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1men h VAL 65 Cb 0.12 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1men h VAL 65 CO -0.02 0.06 0.01 -0.08 0.02 0.00 0.00 177.57 177.57 1men h GLU 66 N 0.35 0.26 -0.34 1.57 4.81 -1.95 -1.23 114.58 118.05 1men h GLU 66 Ca 0.33 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1men h GLU 66 Cb 0.47 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1men h GLU 66 CO -0.37 0.46 0.22 0.35 -0.73 0.00 0.00 179.01 178.95 1men h PHE 67 N 0.02 0.42 0.00 0.92 3.57 -1.02 -2.34 116.94 118.51 1men h PHE 67 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1men h PHE 67 Cb 0.34 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1men h PHE 67 CO 0.03 0.26 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.67 1men h ASP 68 N 0.45 0.00 -0.17 0.41 3.32 -0.38 -2.43 116.42 117.61 1men h ASP 68 Ca 0.13 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1men h ASP 68 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1men h ASP 68 CO -0.03 0.26 -0.45 0.28 -1.72 0.00 0.00 179.24 177.58 1men h SER 69 N 0.00 0.79 -0.24 6.45 0.02 -0.80 0.66 113.55 120.43 1men h SER 69 Ca -0.00 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1men h SER 69 Cb 0.57 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1men h SER 69 CO 0.03 1.12 0.06 0.00 -1.14 0.00 0.00 176.83 176.91 1men h ALA 70 N 0.90 0.31 -0.31 3.77 0.00 -1.01 -1.35 119.26 121.58 1men h ALA 70 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1men h ALA 70 Cb 1.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1men h ALA 70 CO 0.10 -0.04 0.11 0.82 0.00 0.00 0.00 179.25 180.24 1men h ILE 71 N 0.21 0.92 0.00 0.00 2.04 -1.28 -1.54 117.51 117.86 1men h ILE 71 Ca 0.08 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1men h ILE 71 Cb 0.27 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1men h ILE 71 CO 0.00 0.05 -0.01 -0.78 0.00 0.00 0.00 178.15 177.41 1men h ASP 72 N 0.25 0.00 -0.54 1.72 3.58 -0.62 -1.73 116.42 119.08 1men h ASP 72 Ca 0.14 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 1men h ASP 72 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1men h ASP 72 CO -0.14 0.01 0.02 -0.07 -2.88 0.00 0.00 179.24 176.18 1men h LEU 73 N 0.00 0.95 -0.21 2.28 3.38 -0.19 -2.15 115.31 119.37 1men h LEU 73 Ca -0.00 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1men h LEU 73 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1men h LEU 73 CO 0.00 0.99 -0.27 0.58 0.09 0.00 0.00 178.44 179.84 1men h VAL 74 N 0.90 1.33 -0.37 1.22 2.07 -1.16 -1.60 116.25 118.63 1men h VAL 74 Ca 0.17 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1men h VAL 74 Cb 0.50 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1men h VAL 74 CO 0.02 0.45 0.22 -0.07 0.02 0.00 0.00 177.57 178.22 1men h LEU 75 N 0.24 0.36 -0.84 2.57 3.38 -1.33 -0.81 115.31 118.88 1men h LEU 75 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1men h LEU 75 Cb 0.84 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1men h LEU 75 CO 0.06 0.26 0.45 -0.33 0.09 0.00 0.00 178.44 178.98 1men h GLU 76 N 0.45 1.18 0.00 1.13 4.39 -1.40 -1.08 114.58 119.26 1men h GLU 76 Ca 0.15 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1men h GLU 76 Cb -0.00 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1men h GLU 76 CO -0.06 0.87 -0.01 1.49 -1.16 0.00 0.00 179.01 180.14 1men h GLU 77 N 1.18 0.00 -0.27 2.33 4.81 -0.24 -1.08 114.58 121.30 1men h GLU 77 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1men h GLU 77 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1men h GLU 77 CO -0.05 0.01 0.00 1.19 -0.73 0.00 0.00 179.01 179.43 1men n PHE 78 N -3.41 0.59 -4.13 0.92 3.01 -0.41 -4.97 117.46 109.06 1men n PHE 78 Ca -0.03 -0.67 -0.32 0.00 1.01 0.00 0.00 57.45 57.44 1men n PHE 78 Cb 0.09 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 1men n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1men n SER 79 N -0.07 -1.99 -4.75 4.37 7.64 -0.41 -4.85 113.62 113.56 1men n SER 79 Ca 0.15 -1.03 -0.41 0.00 1.01 0.00 0.00 58.87 58.59 1men n SER 79 Cb 0.61 -2.80 -0.03 0.00 -1.01 0.00 0.00 64.21 60.98 1men n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1men s ILE 80 N -3.60 2.95 -0.27 0.44 -1.09 -0.53 -4.77 121.20 114.33 1men s ILE 80 Ca 0.43 0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 59.55 1men s ILE 80 Cb -0.24 -3.54 -0.13 0.00 -1.58 0.00 0.00 42.46 36.98 1men s ILE 80 CO 0.92 0.16 -0.28 0.47 -1.23 0.00 0.00 174.94 174.97 1men n ASP 81 N 1.92 1.95 -4.27 3.58 8.00 0.49 -4.92 116.55 123.30 1men n ASP 81 Ca 0.04 0.35 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1men n ASP 81 Cb 0.42 -0.84 -0.16 0.00 -0.02 0.00 0.00 41.12 40.52 1men n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1men s ILE 82 N -2.50 2.02 -0.16 0.53 -1.09 -0.79 -4.86 121.20 114.35 1men s ILE 82 Ca -0.37 -1.06 -0.03 0.00 -2.23 0.00 0.00 60.65 56.96 1men s ILE 82 Cb 0.13 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1men s ILE 82 CO 0.50 0.56 -0.06 -0.69 -1.23 0.00 0.00 174.94 174.02 1men s VAL 83 N -0.21 3.61 -0.17 2.92 1.01 0.55 -1.32 120.40 126.79 1men s VAL 83 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1men s VAL 83 Cb -0.13 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1men s VAL 83 CO 0.03 0.49 -0.11 0.00 0.00 0.00 0.00 175.10 175.51 1men s LEU 85 N 0.92 5.20 -0.70 0.00 1.43 0.68 -0.46 118.68 125.76 1men s LEU 85 Ca -0.02 -1.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 1men s LEU 85 Cb -0.15 -2.34 0.17 0.00 0.03 0.00 0.00 46.19 43.90 1men s LEU 85 CO -0.00 -0.77 0.50 0.00 0.23 0.00 0.00 176.35 176.30 1men s ALA 86 N 2.22 3.79 0.00 4.21 0.00 0.15 -3.10 121.76 129.04 1men s ALA 86 Ca 0.11 -3.67 0.00 0.00 0.00 0.00 0.00 51.96 48.39 1men s ALA 86 Cb -0.21 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1men s ALA 86 CO 0.10 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.18 1men n GLY 87 N 2.43 0.77 3.63 0.00 0.00 -1.26 -4.42 105.19 106.33 1men n GLY 87 Ca 0.16 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1men n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1men s PHE 88 N -2.00 2.26 -0.55 1.61 5.36 -1.25 -3.02 117.98 120.38 1men s PHE 88 Ca 0.00 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 56.59 1men s PHE 88 Cb 0.00 -3.97 0.36 0.00 -0.34 0.00 0.00 43.02 39.07 1men s PHE 88 CO 0.00 -2.60 2.04 -1.33 -1.46 0.00 0.00 175.22 171.88 1men n MET 89 N 7.59 2.38 -4.76 10.12 2.81 -1.26 -4.92 117.12 129.07 1men n MET 89 Ca 0.18 -2.68 -0.24 0.00 -1.81 0.00 0.00 57.70 53.14 1men n MET 89 Cb 0.46 -2.05 -0.15 0.00 -0.71 0.00 0.00 33.22 30.76 1men n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1men s ARG 90 N -3.11 1.33 -0.14 0.03 1.81 -1.26 -5.10 118.95 112.51 1men s ARG 90 Ca 0.53 -0.61 -0.24 0.00 -1.72 0.00 0.00 55.73 53.68 1men s ARG 90 Cb 0.41 -1.30 -0.02 0.00 -0.45 0.00 0.00 34.95 33.60 1men s ARG 90 CO -0.02 0.35 0.77 0.42 -0.68 0.00 0.00 175.30 176.14 1men s ILE 91 N -0.42 4.95 0.40 1.52 1.09 -1.26 -5.03 121.20 122.44 1men s ILE 91 Ca 0.06 1.52 -0.22 0.00 -1.10 0.00 0.00 60.65 60.91 1men s ILE 91 Cb -0.07 -4.08 -0.11 0.00 -1.06 0.00 0.00 42.46 37.15 1men s ILE 91 CO -0.00 0.10 0.94 -0.76 -0.10 0.00 0.00 174.94 175.12 1men s LEU 92 N 1.73 4.06 0.58 2.97 1.43 -1.26 -5.01 118.68 123.17 1men s LEU 92 Ca 0.37 1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 1men s LEU 92 Cb -0.17 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1men s LEU 92 CO 0.14 -0.27 1.11 -0.94 0.23 0.00 0.00 176.35 176.62 1men s SER 93 N -2.02 5.59 0.14 2.29 1.04 -1.26 -4.82 113.70 114.66 1men s SER 93 Ca 0.58 2.09 -0.22 0.00 0.48 0.00 0.00 55.95 58.88 1men s SER 93 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1men s SER 93 CO 0.16 -1.30 1.65 1.23 0.98 0.00 0.00 173.24 175.96 1men h GLY 94 N 0.84 -0.09 0.81 7.32 0.00 -1.96 -0.39 103.07 109.61 1men h GLY 94 Ca -0.49 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.19 1men h GLY 94 CO 0.56 -0.17 0.48 -2.55 0.00 0.00 0.00 176.54 174.86 1men h PRO 95 N -0.20 0.47 -0.03 4.80 0.11 -1.98 0.66 132.00 135.83 1men h PRO 95 Ca 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1men h PRO 95 Cb 0.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1men h PRO 95 CO -0.30 0.31 -0.06 0.35 -0.21 0.00 0.00 178.00 178.10 1men h PHE 96 N 0.49 0.12 -0.96 0.65 3.04 -1.67 -0.07 116.94 118.54 1men h PHE 96 Ca 0.35 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.28 1men h PHE 96 Cb 0.67 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.11 1men h PHE 96 CO -0.00 0.63 0.63 0.28 -2.02 0.00 0.00 178.31 177.83 1men h VAL 97 N -0.43 1.19 -0.10 1.41 2.07 -0.07 -0.58 116.25 119.73 1men h VAL 97 Ca 0.00 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1men h VAL 97 Cb 0.62 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1men h VAL 97 CO 0.01 0.23 0.00 -0.61 0.02 0.00 0.00 177.57 177.22 1men h GLN 98 N 1.24 0.04 -0.59 1.57 5.75 0.36 0.32 115.11 123.80 1men h GLN 98 Ca 0.37 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.92 1men h GLN 98 Cb -0.05 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 1men h GLN 98 CO -0.11 0.03 0.31 -0.22 -2.65 0.00 0.00 178.83 176.19 1men h LYS 99 N 0.04 0.57 -0.65 1.69 3.64 -0.20 -2.52 116.57 119.15 1men h LYS 99 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1men h LYS 99 Cb 0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1men h LYS 99 CO -0.08 0.38 0.00 0.91 -2.27 0.00 0.00 179.45 178.39 1men n TRP 100 N -4.84 1.33 -1.63 1.91 7.02 -0.30 -4.98 117.44 115.95 1men n TRP 100 Ca 0.07 -0.50 -0.49 0.00 -1.02 0.00 0.00 57.50 55.56 1men n TRP 100 Cb 0.16 -0.29 -0.05 0.00 -2.42 0.00 0.00 31.31 28.71 1men n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1men n ASN 101 N 0.69 2.41 0.00 -0.99 4.05 0.07 -0.55 115.26 120.95 1men n ASN 101 Ca 0.21 1.10 0.00 0.00 0.45 0.00 0.00 54.58 56.33 1men n ASN 101 Cb 0.82 -1.31 0.00 0.00 1.23 0.00 0.00 39.78 40.52 1men n ASN 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1men n GLY 102 N 3.06 0.62 0.00 8.20 0.00 -1.26 -4.80 105.19 111.01 1men n GLY 102 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1men n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1men n LYS 103 N -2.35 -0.22 -4.72 1.61 5.02 0.29 -4.83 118.16 112.97 1men n LYS 103 Ca 0.00 -0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.79 1men n LYS 103 Cb 0.03 -0.66 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 1men n LYS 103 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1men s MET 104 N -0.02 2.87 0.14 1.97 1.75 -1.06 -0.33 119.30 124.62 1men s MET 104 Ca 0.00 -0.80 0.08 0.00 -1.25 0.00 0.00 55.69 53.71 1men s MET 104 Cb 0.00 -2.30 -0.04 0.00 2.84 0.00 0.00 34.83 35.33 1men s MET 104 CO 0.00 0.01 -0.07 -0.51 -0.65 0.00 0.00 175.02 173.79 1men s LEU 105 N 0.77 3.09 0.05 4.11 1.43 0.29 -2.00 118.68 126.42 1men s LEU 105 Ca -0.09 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1men s LEU 105 Cb -0.16 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1men s LEU 105 CO -0.00 0.13 -0.09 0.21 0.23 0.00 0.00 176.35 176.83 1men s ASN 106 N -2.57 1.08 -0.09 2.29 2.47 -0.34 -0.23 114.94 117.55 1men s ASN 106 Ca 0.24 -0.59 0.01 0.00 0.42 0.00 0.00 52.86 52.95 1men s ASN 106 Cb -0.10 0.02 -0.02 0.00 -1.45 0.00 0.00 41.25 39.70 1men s ASN 106 CO 0.15 -0.18 -0.13 -0.51 -3.72 0.00 0.00 177.10 172.72 1men s ILE 107 N -1.44 3.16 -0.02 -5.21 1.10 -1.18 -1.77 121.20 115.83 1men s ILE 107 Ca -0.07 -0.66 0.04 0.00 -0.51 0.00 0.00 60.65 59.45 1men s ILE 107 Cb -0.09 -2.29 -0.01 0.00 0.15 0.00 0.00 42.46 40.22 1men s ILE 107 CO 0.01 0.56 -0.14 -2.28 -2.11 0.00 0.00 174.94 170.97 1men s HIS 108 N -0.20 1.34 -0.08 3.50 5.65 0.89 -4.78 115.29 121.60 1men s HIS 108 Ca 0.01 -0.31 -0.05 0.00 0.25 0.00 0.00 55.06 54.96 1men s HIS 108 Cb -0.13 -0.89 -0.18 0.00 -1.18 0.00 0.00 32.58 30.20 1men s HIS 108 CO 0.03 -0.08 3.28 -0.35 -0.65 0.00 0.00 174.74 176.97 1men n PRO 109 N 2.96 1.95 -3.83 2.88 -0.04 -1.26 -0.16 135.00 137.50 1men n PRO 109 Ca -0.16 -1.12 -0.08 0.00 -0.04 0.00 0.00 63.50 62.10 1men n PRO 109 Cb 0.54 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1men n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1men s SER 110 N 1.69 -0.11 -0.75 3.54 1.04 -0.09 -4.50 113.70 114.51 1men s SER 110 Ca 0.58 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1men s SER 110 Cb 0.29 0.79 0.16 0.00 0.10 0.00 0.00 66.02 67.36 1men s SER 110 CO -0.04 -1.52 0.78 -0.76 0.98 0.00 0.00 173.24 172.69 1men s LEU 111 N -3.01 6.06 0.60 2.42 1.43 -1.25 -2.23 118.68 122.70 1men s LEU 111 Ca 0.14 -2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 50.88 1men s LEU 111 Cb -0.05 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1men s LEU 111 CO 0.09 -0.83 1.07 0.18 0.23 0.00 0.00 176.35 177.10 1men n LEU 112 N 5.16 4.30 0.00 1.79 4.32 -1.26 -1.10 117.00 130.20 1men n LEU 112 Ca 0.07 0.84 0.07 0.00 -0.02 0.00 0.00 56.01 56.96 1men n LEU 112 Cb 0.45 -1.44 0.40 0.00 -1.62 0.00 0.00 43.42 41.22 1men n LEU 112 CO 0.45 -1.55 0.67 -0.81 -1.22 0.00 0.00 177.39 174.94 1men n PRO 113 N -1.14 0.77 -2.45 3.23 -0.04 -1.26 -5.10 135.00 129.01 1men n PRO 113 Ca 0.14 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 1men n PRO 113 Cb 0.47 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1men n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1men s SER 114 N -1.66 6.36 -1.17 3.54 0.01 -0.26 -4.24 113.70 116.27 1men s SER 114 Ca 0.20 2.07 -0.27 0.00 1.31 0.00 0.00 55.95 59.27 1men s SER 114 Cb 0.09 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1men s SER 114 CO 0.16 -0.77 0.75 0.49 0.41 0.00 0.00 173.24 174.27 1men n PHE 115 N -0.63 -1.69 -1.42 2.43 3.72 -1.26 -4.42 117.46 114.18 1men n PHE 115 Ca 0.08 0.29 -0.30 0.00 -0.05 0.00 0.00 57.45 57.46 1men n PHE 115 Cb 0.50 -3.16 0.09 0.00 -0.94 0.00 0.00 39.48 35.98 1men n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1men s LYS 116 N -6.58 2.07 0.52 -1.08 1.02 -1.26 -4.65 119.74 109.77 1men s LYS 116 Ca 0.49 0.83 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1men s LYS 116 Cb -0.21 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1men s LYS 116 CO 0.91 -1.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1men n GLY 117 N -1.70 -2.12 3.84 -3.33 0.00 -1.26 -4.87 105.19 95.76 1men n GLY 117 Ca 0.07 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 1men n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1men s SER 118 N -3.58 5.80 -1.28 1.61 1.04 -1.26 -4.19 113.70 111.84 1men s SER 118 Ca 0.00 1.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.92 1men s SER 118 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.64 1men s SER 118 CO 0.00 -1.16 1.00 0.59 0.98 0.00 0.00 173.24 174.65 1men n ASN 119 N -2.93 -3.21 -0.19 7.02 5.03 -1.26 -4.92 115.26 114.80 1men n ASN 119 Ca 0.07 -0.64 -0.06 0.00 0.87 0.00 0.00 54.58 54.82 1men n ASN 119 Cb 0.54 -4.87 0.03 0.00 -1.02 0.00 0.00 39.78 34.46 1men n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1men h ALA 120 N 0.93 0.69 -0.60 5.41 0.00 -1.83 -1.43 119.26 122.44 1men h ALA 120 Ca -0.59 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.35 1men h ALA 120 Cb 1.35 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1men h ALA 120 CO 0.54 0.10 0.31 0.45 0.00 0.00 0.00 179.25 180.65 1men h HIS 121 N 0.71 0.58 -0.62 0.00 3.86 -1.92 0.10 115.15 117.86 1men h HIS 121 Ca 0.21 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1men h HIS 121 Cb -0.05 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1men h HIS 121 CO -0.05 0.27 0.23 0.93 0.86 0.00 0.00 177.93 180.18 1men h GLU 122 N 0.59 0.93 -0.42 2.45 5.08 -1.87 -1.78 114.58 119.56 1men h GLU 122 Ca 0.27 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1men h GLU 122 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1men h GLU 122 CO -0.18 0.80 0.27 1.96 -1.00 0.00 0.00 179.01 180.86 1men h GLN 123 N 0.87 0.53 -0.43 2.33 4.20 -0.31 -0.60 115.11 121.69 1men h GLN 123 Ca 0.20 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.92 1men h GLN 123 Cb 0.23 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1men h GLN 123 CO -0.01 0.35 0.22 0.00 -0.67 0.00 0.00 178.83 178.72 1men h ALA 124 N 1.16 0.54 -0.02 3.87 0.00 -0.50 0.34 119.26 124.65 1men h ALA 124 Ca 0.16 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1men h ALA 124 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1men h ALA 124 CO -0.05 -0.13 -0.51 -0.07 0.00 0.00 0.00 179.25 178.49 1men h LEU 125 N 0.44 0.07 -0.12 0.00 3.38 -1.11 0.25 115.31 118.23 1men h LEU 125 Ca 0.19 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1men h LEU 125 Cb 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1men h LEU 125 CO -0.13 0.57 -0.20 -0.33 0.09 0.00 0.00 178.44 178.44 1men h GLU 126 N 0.05 0.34 -0.57 1.13 4.39 -0.69 -3.25 114.58 115.99 1men h GLU 126 Ca -0.00 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1men h GLU 126 Cb 0.92 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1men h GLU 126 CO 0.07 0.80 0.28 1.15 -1.16 0.00 0.00 179.01 180.15 1men h THR 127 N -0.07 1.20 -0.04 1.13 2.02 -0.68 -3.48 112.91 112.99 1men h THR 127 Ca 0.01 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1men h THR 127 Cb 0.77 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1men h THR 127 CO 0.05 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.78 1men n GLY 128 N -0.95 1.52 3.82 2.16 0.00 0.85 -5.09 105.19 107.51 1men n GLY 128 Ca 0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1men n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1men s VAL 129 N -2.04 4.07 -1.35 1.61 -7.23 -1.16 -4.96 120.40 109.34 1men s VAL 129 Ca 0.00 0.90 0.18 0.00 -1.81 0.00 0.00 61.98 61.24 1men s VAL 129 Cb 0.00 -3.49 -0.07 0.00 0.56 0.00 0.00 36.38 33.38 1men s VAL 129 CO 0.00 -0.66 0.86 0.35 -0.31 0.00 0.00 175.10 175.34 1men n THR 130 N -2.21 0.00 -3.97 5.32 -2.24 -1.26 -4.75 114.28 105.17 1men n THR 130 Ca 0.08 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1men n THR 130 Cb 0.53 1.14 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 1men n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1men s VAL 131 N -2.27 0.47 0.00 2.28 1.01 -1.26 -0.51 120.40 120.12 1men s VAL 131 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1men s VAL 131 Cb 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1men s VAL 131 CO 0.55 0.24 0.00 1.07 0.00 0.00 0.00 175.10 176.96 1men n THR 132 N 4.57 0.00 -3.80 3.92 5.66 0.30 -4.93 114.28 119.99 1men n THR 132 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1men n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1men n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1men n GLY 133 N 2.94 -0.42 3.15 1.09 0.00 -1.26 0.11 105.19 110.79 1men n GLY 133 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1men n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1men s THR 135 N -3.81 -0.02 -0.07 0.00 2.01 0.77 -2.31 115.64 112.22 1men s THR 135 Ca 0.15 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.25 1men s THR 135 Cb 0.07 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.48 1men s THR 135 CO -0.04 0.03 -0.17 0.54 -0.69 0.00 0.00 174.62 174.29 1men s VAL 136 N 0.38 2.75 0.24 3.82 0.11 -0.63 -0.08 120.40 126.98 1men s VAL 136 Ca -0.03 -0.82 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 1men s VAL 136 Cb -0.04 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 1men s VAL 136 CO -0.01 0.57 0.55 -1.38 -3.33 0.00 0.00 175.10 171.50 1men s HIS 137 N -0.33 0.07 0.24 1.54 -0.00 -0.73 -1.19 115.29 114.89 1men s HIS 137 Ca 0.02 -0.45 -0.30 0.00 -0.00 0.00 0.00 55.06 54.33 1men s HIS 137 Cb -0.13 0.38 -0.09 0.00 -0.00 0.00 0.00 32.58 32.75 1men s HIS 137 CO 0.02 -1.03 0.98 -0.06 -0.00 0.00 0.00 174.74 174.66 1men s PHE 138 N -3.95 3.88 -0.04 0.38 0.08 0.77 -1.20 117.98 117.91 1men s PHE 138 Ca 0.15 1.86 -0.30 0.00 0.12 0.00 0.00 56.93 58.76 1men s PHE 138 Cb -0.02 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1men s PHE 138 CO 0.05 0.19 0.98 0.08 -0.10 0.00 0.00 175.22 176.42 1men s VAL 139 N -1.11 4.84 0.29 -0.44 1.01 -0.85 -3.10 120.40 121.05 1men s VAL 139 Ca 0.42 2.05 0.10 0.00 0.00 0.00 0.00 61.98 64.55 1men s VAL 139 Cb -0.27 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1men s VAL 139 CO 0.34 0.11 -0.15 0.00 0.00 0.00 0.00 175.10 175.40 1men s ALA 140 N 1.34 2.70 0.19 5.51 0.00 -1.26 -4.70 121.76 125.54 1men s ALA 140 Ca 0.51 -1.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 1men s ALA 140 Cb -0.20 -0.13 0.26 0.00 0.00 0.00 0.00 23.12 23.04 1men s ALA 140 CO 0.24 0.16 1.14 0.39 0.00 0.00 0.00 175.76 177.70 1men n GLU 141 N -0.64 -0.12 -4.60 0.00 -0.58 -1.26 -3.91 120.64 109.53 1men n GLU 141 Ca -0.05 1.13 -0.33 0.00 -0.42 0.00 0.00 57.16 57.49 1men n GLU 141 Cb 0.61 -1.69 -0.13 0.00 -0.57 0.00 0.00 31.44 29.67 1men n GLU 141 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1men s ASP 142 N -5.23 4.46 0.00 1.62 -4.77 -1.26 -4.91 116.67 106.59 1men s ASP 142 Ca -0.11 -0.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.96 1men s ASP 142 Cb 0.17 -1.58 0.00 0.00 -1.09 0.00 0.00 42.92 40.43 1men s ASP 142 CO 0.55 0.21 0.00 0.52 0.70 0.00 0.00 175.17 177.15 1men n VAL 143 N 3.25 0.00 0.07 2.11 0.31 -1.25 -1.51 118.33 121.32 1men n VAL 143 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.20 1men n VAL 143 Cb 0.53 -0.49 -0.07 0.00 -0.91 0.00 0.00 33.84 32.90 1men n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1men n ASP 144 N -0.41 2.35 -0.88 4.52 9.92 -1.26 -4.55 116.55 126.23 1men n ASP 144 Ca 0.00 -0.13 0.09 0.00 -0.53 0.00 0.00 54.79 54.22 1men n ASP 144 Cb 0.00 1.37 0.18 0.00 -0.64 0.00 0.00 41.12 42.03 1men n ASP 144 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1men n ALA 145 N -1.73 2.34 -1.68 2.24 0.00 -0.57 -4.98 120.51 116.13 1men n ALA 145 Ca -0.01 -1.02 -0.51 0.00 0.00 0.00 0.00 53.44 51.89 1men n ALA 145 Cb 0.24 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1men n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1men n GLY 146 N 1.03 1.21 3.66 0.00 0.00 -1.25 -4.84 105.19 105.01 1men n GLY 146 Ca 0.15 0.89 -0.42 0.00 0.00 0.00 0.00 46.02 46.64 1men n GLY 146 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1men s GLN 147 N 4.08 4.17 0.03 1.61 -1.52 -1.18 -4.70 119.66 122.16 1men s GLN 147 Ca 0.96 2.32 -0.30 0.00 -1.95 0.00 0.00 55.36 56.39 1men s GLN 147 Cb -0.82 -3.97 -0.05 0.00 -0.22 0.00 0.00 33.01 27.95 1men s GLN 147 CO 0.56 -0.86 1.16 0.42 -0.25 0.00 0.00 175.29 176.32 1men s ILE 148 N 3.91 4.24 -0.27 1.08 1.01 -1.26 -0.16 121.20 129.75 1men s ILE 148 Ca 0.77 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.98 1men s ILE 148 Cb -0.37 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1men s ILE 148 CO 0.33 0.10 -0.28 -0.38 0.00 0.00 0.00 174.94 174.72 1men n ILE 149 N 4.03 1.50 -3.63 2.92 5.41 -0.33 -4.92 119.36 124.33 1men n ILE 149 Ca 0.09 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 1men n ILE 149 Cb 0.47 -1.59 -0.07 0.00 -0.71 0.00 0.00 39.64 37.74 1men n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1men s LEU 150 N -6.89 0.16 -0.00 1.39 1.02 -1.08 -5.02 118.68 108.25 1men s LEU 150 Ca -0.36 0.23 -0.13 0.00 0.02 0.00 0.00 54.13 53.88 1men s LEU 150 Cb 0.11 1.90 0.02 0.00 0.02 0.00 0.00 46.19 48.24 1men s LEU 150 CO 0.55 -0.61 0.27 -1.10 0.02 0.00 0.00 176.35 175.48 1men s GLN 151 N -1.89 0.64 -0.05 1.70 -0.21 -1.26 -1.60 119.66 116.99 1men s GLN 151 Ca -0.09 -0.28 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1men s GLN 151 Cb -0.02 0.28 0.03 0.00 1.00 0.00 0.00 33.01 34.30 1men s GLN 151 CO 0.02 -0.18 -0.01 -2.00 -2.12 0.00 0.00 175.29 171.01 1men s GLU 152 N -1.49 0.57 0.28 2.91 2.12 -0.98 -5.00 118.70 117.10 1men s GLU 152 Ca -0.13 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 54.96 1men s GLU 152 Cb -0.05 -0.77 -0.09 0.00 0.26 0.00 0.00 34.13 33.47 1men s GLU 152 CO 0.03 -0.18 0.96 0.00 -0.54 0.00 0.00 175.26 175.52 1men s ALA 153 N 1.37 3.29 -0.04 6.30 0.00 -1.26 -2.02 121.76 129.40 1men s ALA 153 Ca -0.04 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1men s ALA 153 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1men s ALA 153 CO -0.02 0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.91 1men s VAL 154 N -1.34 0.64 0.53 0.00 1.01 0.29 -4.88 120.40 116.65 1men s VAL 154 Ca 0.45 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 1men s VAL 154 Cb -0.24 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1men s VAL 154 CO 0.30 0.23 1.08 -2.16 0.00 0.00 0.00 175.10 174.55 1men s PRO 155 N 0.64 3.53 -0.20 2.72 0.04 -1.26 0.11 135.00 140.57 1men s PRO 155 Ca -0.09 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 1men s PRO 155 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1men s PRO 155 CO 0.01 -0.67 -0.02 0.08 0.04 0.00 0.00 177.00 176.44 1men s VAL 156 N -1.97 3.77 0.31 -0.36 1.01 0.34 -4.77 120.40 118.73 1men s VAL 156 Ca 0.69 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1men s VAL 156 Cb -0.19 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 1men s VAL 156 CO 0.25 0.43 0.73 -0.54 0.00 0.00 0.00 175.10 175.97 1men s LYS 157 N 1.11 4.02 0.53 2.72 1.02 -1.26 -4.79 119.74 123.09 1men s LYS 157 Ca 0.02 0.68 0.18 0.00 0.02 0.00 0.00 55.97 56.87 1men s LYS 157 Cb -0.14 -2.48 1.32 0.00 -0.52 0.00 0.00 37.83 36.00 1men s LYS 157 CO 0.01 0.18 2.13 0.00 -0.92 0.00 0.00 175.35 176.75 1men h ARG 158 N 2.38 0.00 0.00 1.68 3.08 -1.99 -2.47 114.38 117.07 1men h ARG 158 Ca -0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 1men h ARG 158 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1men h ARG 158 CO 0.65 0.00 -0.66 0.78 -1.07 0.00 0.00 179.97 179.68 1men h GLY 159 N 0.00 0.00 -3.01 0.04 0.00 -2.05 -3.48 103.07 94.57 1men h GLY 159 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.96 1men h GLY 159 CO -0.00 0.00 -0.40 1.22 0.00 0.00 0.00 176.54 177.36 1men n ASP 160 N -3.08 -1.06 -4.71 0.19 8.00 -0.93 -5.02 116.55 109.93 1men n ASP 160 Ca -0.00 0.65 -0.30 0.00 0.71 0.00 0.00 54.79 55.85 1men n ASP 160 Cb 0.70 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1men n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1men s THR 161 N -0.74 1.63 0.25 -3.53 -4.23 -1.26 -4.96 115.64 102.80 1men s THR 161 Ca 0.39 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1men s THR 161 Cb -0.53 -2.58 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1men s THR 161 CO 0.36 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 176.90 1men h VAL 162 N 1.50 1.11 0.67 2.29 2.07 -1.95 -2.37 116.25 119.57 1men h VAL 162 Ca -0.44 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1men h VAL 162 Cb 1.28 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1men h VAL 162 CO 0.76 0.21 -0.42 0.00 0.02 0.00 0.00 177.57 178.14 1men h ALA 163 N 1.42 -1.07 -0.40 1.67 0.00 -1.98 -0.91 119.26 117.98 1men h ALA 163 Ca 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1men h ALA 163 Cb 0.10 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1men h ALA 163 CO -0.15 -1.12 0.26 1.79 0.00 0.00 0.00 179.25 180.03 1men h THR 164 N -1.03 1.11 0.03 0.00 1.35 -1.91 -1.04 112.91 111.43 1men h THR 164 Ca -0.08 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1men h THR 164 Cb 0.84 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1men h THR 164 CO 0.08 0.11 -0.02 0.25 -0.25 0.00 0.00 175.52 175.69 1men h LEU 165 N 0.54 -0.04 -0.80 3.87 5.85 -1.47 -1.58 115.31 121.69 1men h LEU 165 Ca 0.15 -0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.94 1men h LEU 165 Cb -0.04 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 1men h LEU 165 CO -0.03 0.06 0.33 -1.28 -0.34 0.00 0.00 178.44 177.18 1men h SER 166 N -0.13 0.31 -0.24 1.25 0.87 -1.00 0.17 113.55 114.78 1men h SER 166 Ca -0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1men h SER 166 Cb 0.12 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1men h SER 166 CO 0.01 0.09 0.02 -0.08 -0.53 0.00 0.00 176.83 176.34 1men h GLU 167 N 0.45 0.41 -0.80 2.24 4.57 -0.89 -1.57 114.58 118.99 1men h GLU 167 Ca 0.45 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1men h GLU 167 Cb 0.72 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 1men h GLU 167 CO -0.43 0.57 0.44 -0.09 -1.18 0.00 0.00 179.01 178.32 1men h ARG 168 N 0.20 1.11 -0.27 1.92 2.43 -0.17 -2.56 114.38 117.04 1men h ARG 168 Ca 0.07 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1men h ARG 168 Cb 0.37 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1men h ARG 168 CO 0.01 0.81 -0.38 0.28 -1.51 0.00 0.00 179.97 179.19 1men h VAL 169 N 1.12 1.29 -0.34 0.20 2.07 -0.53 -2.93 116.25 117.13 1men h VAL 169 Ca 0.28 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1men h VAL 169 Cb 0.02 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1men h VAL 169 CO -0.05 0.49 0.13 0.11 0.02 0.00 0.00 177.57 178.27 1men h LYS 170 N 0.52 0.48 -0.95 1.57 1.57 -0.88 -1.49 116.57 117.39 1men h LYS 170 Ca 0.05 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1men h LYS 170 Cb 0.89 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1men h LYS 170 CO 0.08 0.40 0.63 -0.07 -0.57 0.00 0.00 179.45 179.92 1men h LEU 171 N 0.48 1.08 -0.27 2.94 4.07 -1.31 -1.17 115.31 121.13 1men h LEU 171 Ca 0.12 -0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.90 1men h LEU 171 Cb 0.11 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 1men h LEU 171 CO -0.01 0.78 -0.43 0.00 -1.08 0.00 0.00 178.44 177.70 1men h ALA 172 N 1.41 0.42 -0.80 1.53 0.00 -1.39 -3.20 119.26 117.23 1men h ALA 172 Ca 0.35 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1men h ALA 172 Cb -0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1men h ALA 172 CO -0.08 0.55 0.45 0.93 0.00 0.00 0.00 179.25 181.10 1men h GLU 173 N 0.52 0.74 0.00 0.00 5.08 -0.48 0.12 114.58 120.56 1men h GLU 173 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1men h GLU 173 Cb 1.03 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1men h GLU 173 CO 0.10 0.49 -0.00 0.45 -1.00 0.00 0.00 179.01 179.05 1men h HIS 174 N 0.76 0.00 0.00 4.33 3.86 -1.25 -0.44 115.15 122.42 1men h HIS 174 Ca 0.38 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1men h HIS 174 Cb 0.35 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1men h HIS 174 CO -0.07 0.00 -0.10 0.87 0.86 0.00 0.00 177.93 179.50 1men h LYS 175 N 0.00 0.00 0.00 2.45 1.57 -0.79 -3.37 116.57 116.42 1men h LYS 175 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1men h LYS 175 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1men h LYS 175 CO 0.00 0.35 -0.46 -0.84 -0.57 0.00 0.00 179.45 177.93 1men h ILE 176 N -1.00 0.89 -0.03 1.86 3.07 -1.15 -2.96 117.51 118.19 1men h ILE 176 Ca -0.02 -1.91 -0.01 0.00 1.55 0.00 0.00 64.86 64.48 1men h ILE 176 Cb 0.40 2.19 -0.00 0.00 -0.27 0.00 0.00 36.82 39.14 1men h ILE 176 CO -0.01 0.45 -0.01 0.15 -1.05 0.00 0.00 178.15 177.68 1men h PHE 177 N 0.00 0.06 -0.55 0.16 3.04 -1.29 0.14 116.94 118.50 1men h PHE 177 Ca -0.00 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1men h PHE 177 Cb 1.16 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.61 1men h PHE 177 CO 0.00 0.41 0.31 -1.35 -2.02 0.00 0.00 178.31 175.66 1men h PRO 178 N -0.31 0.58 -0.68 6.41 0.11 -1.73 0.19 132.00 136.58 1men h PRO 178 Ca 0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1men h PRO 178 Cb 0.39 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1men h PRO 178 CO 0.00 0.39 0.23 0.00 -0.21 0.00 0.00 178.00 178.40 1men h ALA 179 N 1.27 0.88 -0.60 -0.75 0.00 -1.44 -0.54 119.26 118.09 1men h ALA 179 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1men h ALA 179 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1men h ALA 179 CO -0.13 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 1men h ALA 180 N 1.10 0.81 -0.11 0.00 0.00 -0.18 0.86 119.26 121.74 1men h ALA 180 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1men h ALA 180 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1men h ALA 180 CO -0.01 0.65 0.06 1.25 0.00 0.00 0.00 179.25 181.21 1men h LEU 181 N 0.96 0.13 -0.30 0.00 5.85 -0.27 -0.29 115.31 121.38 1men h LEU 181 Ca 0.17 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1men h LEU 181 Cb 0.57 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1men h LEU 181 CO 0.03 0.14 0.13 -0.61 -0.34 0.00 0.00 178.44 177.80 1men h GLN 182 N 0.10 0.27 -0.49 1.25 5.75 -0.89 0.89 115.11 122.00 1men h GLN 182 Ca 0.04 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.60 1men h GLN 182 Cb 0.04 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.46 1men h GLN 182 CO -0.01 0.18 0.09 -0.07 -2.65 0.00 0.00 178.83 176.37 1men h LEU 183 N 0.28 -0.01 -0.03 -2.39 3.38 -0.44 0.76 115.31 116.86 1men h LEU 183 Ca 0.13 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1men h LEU 183 Cb 0.06 0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1men h LEU 183 CO -0.10 0.02 -0.31 0.58 0.09 0.00 0.00 178.44 178.72 1men h VAL 184 N 0.22 1.48 -0.82 1.22 2.07 -0.48 -0.45 116.25 119.49 1men h VAL 184 Ca 0.24 -1.85 0.08 0.00 0.82 0.00 0.00 66.70 65.99 1men h VAL 184 Cb 0.33 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 1men h VAL 184 CO -0.32 0.52 0.49 0.00 0.02 0.00 0.00 177.57 178.27 1men h ALA 185 N 0.34 1.15 0.00 1.67 0.00 0.11 -0.68 119.26 121.84 1men h ALA 185 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1men h ALA 185 Cb 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1men h ALA 185 CO 0.06 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1men n SER 186 N -4.69 0.00 0.00 0.00 3.41 0.24 -4.90 113.62 107.68 1men n SER 186 Ca 0.12 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1men n SER 186 Cb 0.22 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1men n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1men n GLY 187 N 0.91 0.82 0.30 5.00 0.00 -0.26 -4.91 105.19 107.06 1men n GLY 187 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1men n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1men h THR 188 N 0.00 1.25 -4.01 2.61 2.02 -1.32 -3.42 112.91 110.03 1men h THR 188 Ca 0.00 -0.98 -0.69 0.00 0.77 0.00 0.00 66.41 65.51 1men h THR 188 Cb 0.00 0.72 -0.25 0.00 -1.74 0.00 0.00 68.15 66.88 1men h THR 188 CO 0.00 0.36 -0.79 -0.69 0.37 0.00 0.00 175.52 174.77 1men s VAL 189 N -5.13 2.85 0.21 3.16 1.01 -0.90 -1.31 120.40 120.30 1men s VAL 189 Ca -0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1men s VAL 189 Cb 0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1men s VAL 189 CO 0.83 0.58 0.39 -1.10 0.00 0.00 0.00 175.10 175.79 1men s GLN 190 N -0.53 1.39 -0.32 2.72 -0.21 -0.54 -4.44 119.66 117.73 1men s GLN 190 Ca 0.07 -1.24 -0.14 0.00 0.02 0.00 0.00 55.36 54.07 1men s GLN 190 Cb -0.11 0.43 -0.02 0.00 1.00 0.00 0.00 33.01 34.30 1men s GLN 190 CO 0.01 -0.55 0.32 -0.51 -2.12 0.00 0.00 175.29 172.44 1men s LEU 191 N -3.01 4.31 0.00 2.90 1.43 -1.26 -0.31 118.68 122.74 1men s LEU 191 Ca 0.22 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 1men s LEU 191 Cb 0.01 -2.29 0.28 0.00 0.03 0.00 0.00 46.19 44.23 1men s LEU 191 CO 0.06 -0.25 0.72 0.61 0.23 0.00 0.00 176.35 177.72 1men n GLY 192 N 4.95 -3.62 0.23 -3.19 0.00 0.41 -4.82 105.19 99.15 1men n GLY 192 Ca -0.10 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1men n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1men h GLU 193 N 0.00 0.00 -0.00 1.61 4.39 -1.98 -2.31 114.58 116.29 1men h GLU 193 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1men h GLU 193 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1men h GLU 193 CO 0.19 0.13 -0.05 0.27 -1.16 0.00 0.00 179.01 178.40 1men n ASN 194 N -3.21 0.50 0.00 1.42 0.23 -1.26 -4.90 115.26 108.04 1men n ASN 194 Ca 0.01 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 1men n ASN 194 Cb 0.45 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 1men n ASN 194 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1men n GLY 195 N 1.17 1.03 3.89 4.83 0.00 -0.87 -5.04 105.19 110.21 1men n GLY 195 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1men n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1men s LYS 196 N -0.32 3.67 0.81 1.61 3.01 -1.26 -4.72 119.74 122.55 1men s LYS 196 Ca 0.00 0.03 -0.14 0.00 -1.01 0.00 0.00 55.97 54.84 1men s LYS 196 Cb 0.00 -2.75 0.03 0.00 -1.01 0.00 0.00 37.83 34.10 1men s LYS 196 CO 0.00 0.37 0.80 1.51 0.51 0.00 0.00 175.35 178.55 1men n ILE 197 N -0.20 1.52 -3.74 2.17 3.06 -1.26 -0.45 119.36 120.47 1men n ILE 197 Ca -0.01 -0.27 -0.12 0.00 -2.50 0.00 0.00 62.75 59.84 1men n ILE 197 Cb 0.52 -0.92 -0.13 0.00 0.54 0.00 0.00 39.64 39.66 1men n ILE 197 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1men s TRP 199 N 1.03 2.54 -0.38 0.00 0.52 -1.26 -1.46 118.94 119.93 1men s TRP 199 Ca -0.07 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.78 1men s TRP 199 Cb -0.09 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1men s TRP 199 CO -0.07 0.34 0.09 0.28 0.02 0.00 0.00 176.95 177.61