#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 2.93 -0.15 5.15 -1.09 -0.42 -4.79 121.20 122.83 1men s ILE 1 Ca 0.00 0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 58.91 1men s ILE 1 Cb 0.00 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1men s ILE 1 CO 0.00 0.06 0.51 -0.76 -1.23 0.00 0.00 174.94 173.52 1men s LEU 2 N 1.04 4.22 -0.04 2.97 1.43 -1.26 0.42 118.68 127.46 1men s LEU 2 Ca 0.67 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1men s LEU 2 Cb -0.41 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1men s LEU 2 CO 0.31 -0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1men s VAL 3 N 1.12 2.72 -0.10 -1.59 1.01 0.32 -0.78 120.40 123.09 1men s VAL 3 Ca 0.26 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1men s VAL 3 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1men s VAL 3 CO 0.10 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.71 1men s ALA 4 N -0.70 2.94 -0.13 5.51 0.00 -0.37 -0.64 121.76 128.36 1men s ALA 4 Ca 0.11 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1men s ALA 4 Cb -0.10 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1men s ALA 4 CO 0.00 0.42 -0.18 0.08 0.00 0.00 0.00 175.76 176.08 1men s VAL 5 N -0.29 2.53 -0.09 0.00 1.01 -0.41 -0.57 120.40 122.59 1men s VAL 5 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1men s VAL 5 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1men s VAL 5 CO 0.02 0.53 0.01 -0.76 0.00 0.00 0.00 175.10 174.91 1men s LEU 6 N 0.58 3.63 0.19 3.92 1.43 0.06 -1.32 118.68 127.17 1men s LEU 6 Ca -0.10 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1men s LEU 6 Cb -0.16 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1men s LEU 6 CO 0.04 0.38 0.12 0.27 0.23 0.00 0.00 176.35 177.39 1men s ILE 7 N -0.89 0.01 0.00 -0.59 -4.36 0.17 -1.39 121.20 114.15 1men s ILE 7 Ca 0.13 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1men s ILE 7 Cb -0.11 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1men s ILE 7 CO 0.02 -0.06 0.02 -1.20 0.24 0.00 0.00 174.94 173.97 1men n SER 8 N -0.25 0.05 0.00 4.36 7.64 -1.11 -2.62 113.62 121.68 1men n SER 8 Ca 0.01 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1men n SER 8 Cb 0.66 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.22 3.75 0.39 0.23 0.00 -1.26 -4.75 105.19 103.77 1men n GLY 9 Ca 0.00 -0.27 0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.70 -0.21 2.61 2.02 -1.93 -1.34 112.91 114.76 1men h THR 10 Ca 0.00 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1men h THR 10 Cb 0.00 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1men h THR 10 CO 0.00 0.08 -0.06 0.61 0.37 0.00 0.00 175.52 176.52 1men n GLY 11 N -1.50 0.52 0.31 2.16 0.00 -1.26 -2.73 105.19 102.68 1men n GLY 11 Ca 0.19 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.14 1.61 4.64 -1.94 0.33 113.55 119.03 1men h SER 12 Ca -0.06 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1men h SER 12 Cb 0.41 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1men h SER 12 CO 0.09 0.96 -0.38 0.78 -0.87 0.00 0.00 176.83 177.41 1men h ASN 13 N 0.97 0.71 -0.56 4.97 2.35 -1.92 -2.33 115.58 119.77 1men h ASN 13 Ca 0.20 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1men h ASN 13 Cb 0.39 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1men h ASN 13 CO 0.01 1.01 0.33 0.25 -1.65 0.00 0.00 177.43 177.38 1men h LEU 14 N 0.55 0.52 -0.46 1.61 5.85 -1.76 -0.58 115.31 121.04 1men h LEU 14 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1men h LEU 14 Cb 0.91 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1men h LEU 14 CO 0.08 0.36 0.28 -0.61 -0.34 0.00 0.00 178.44 178.21 1men h GLN 15 N 0.65 0.63 -0.22 1.25 5.75 -0.62 0.14 115.11 122.69 1men h GLN 15 Ca 0.23 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1men h GLN 15 Cb 0.06 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1men h GLN 15 CO -0.12 0.47 -0.03 0.00 -2.65 0.00 0.00 178.83 176.50 1men h ALA 16 N 1.13 1.53 -0.12 3.38 0.00 -1.00 -0.40 119.26 123.78 1men h ALA 16 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1men h ALA 16 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1men h ALA 16 CO -0.03 0.34 -0.24 -0.07 0.00 0.00 0.00 179.25 179.25 1men h LEU 17 N 0.33 0.41 -0.21 0.00 3.38 -0.13 -1.97 115.31 117.12 1men h LEU 17 Ca 0.07 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1men h LEU 17 Cb 0.28 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1men h LEU 17 CO 0.01 0.89 -0.10 0.40 0.09 0.00 0.00 178.44 179.73 1men h ILE 18 N -0.05 0.67 -0.23 1.22 2.04 -0.44 0.65 117.51 121.36 1men h ILE 18 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1men h ILE 18 Cb 0.83 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1men h ILE 18 CO 0.05 0.00 0.12 0.44 0.00 0.00 0.00 178.15 178.77 1men h ASP 19 N -0.08 0.29 0.21 1.72 3.32 -1.07 -1.95 116.42 118.86 1men h ASP 19 Ca 0.12 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1men h ASP 19 Cb 0.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1men h ASP 19 CO -0.27 0.29 -0.18 0.77 -1.72 0.00 0.00 179.24 178.14 1men h SER 20 N 0.26 0.00 0.70 6.45 4.64 -1.14 -1.44 113.55 123.02 1men h SER 20 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1men h SER 20 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1men h SER 20 CO -0.01 0.18 -0.20 0.74 -0.87 0.00 0.00 176.83 176.67 1men h THR 21 N 0.00 0.58 0.00 2.95 2.02 -0.17 -3.07 112.91 115.22 1men h THR 21 Ca -0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1men h THR 21 Cb 0.34 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1men h THR 21 CO 0.02 0.19 -0.10 0.54 0.37 0.00 0.00 175.52 176.54 1men n ARG 22 N -3.49 0.28 -2.06 6.66 5.12 -0.54 -4.73 116.66 117.88 1men n ARG 22 Ca -0.01 0.20 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 1men n ARG 22 Cb 0.36 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 29.84 1men n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1men s GLU 23 N -3.11 4.29 0.54 5.56 2.02 -1.16 -4.87 118.70 121.96 1men s GLU 23 Ca 0.10 2.22 0.42 0.00 0.02 0.00 0.00 54.97 57.73 1men s GLU 23 Cb 0.12 -3.17 1.62 0.00 0.10 0.00 0.00 34.13 32.81 1men s GLU 23 CO 0.62 -0.45 1.67 -1.35 0.02 0.00 0.00 175.26 175.77 1men h PRO 24 N 6.02 0.02 0.00 0.39 0.11 -1.91 0.16 132.00 136.78 1men h PRO 24 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1men h PRO 24 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1men h PRO 24 CO 0.84 0.01 -0.05 -2.95 -0.21 0.00 0.00 178.00 175.64 1men h ASN 25 N 0.02 0.00 -3.10 -2.05 -1.07 -1.94 -3.48 115.58 103.96 1men h ASN 25 Ca 0.78 -0.01 -0.57 0.00 0.07 0.00 0.00 56.30 56.57 1men h ASN 25 Cb 3.04 0.00 0.10 0.00 -2.07 0.00 0.00 38.32 39.38 1men h ASN 25 CO -0.06 0.01 0.62 -0.24 0.07 0.00 0.00 177.43 177.82 1men n SER 26 N -2.38 2.98 -0.37 6.14 2.88 0.55 -4.91 113.62 118.50 1men n SER 26 Ca 0.05 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.90 1men n SER 26 Cb 0.45 -1.49 0.38 0.00 -0.75 0.00 0.00 64.21 62.80 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 1.48 1.35 -4.34 -3.46 7.64 -1.26 -4.93 113.62 110.10 1men n SER 27 Ca 0.08 -1.19 -0.22 0.00 1.01 0.00 0.00 58.87 58.55 1men n SER 27 Cb 0.35 0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.32 2.05 -0.06 -0.43 0.00 -1.26 -1.30 121.76 118.44 1men s ALA 28 Ca 0.28 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1men s ALA 28 Cb 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1men s ALA 28 CO 0.46 0.25 -0.05 -1.14 0.00 0.00 0.00 175.76 175.28 1men s GLN 29 N -2.77 1.00 -0.38 0.00 0.74 0.17 -4.82 119.66 113.60 1men s GLN 29 Ca 0.16 -0.13 -0.22 0.00 0.05 0.00 0.00 55.36 55.22 1men s GLN 29 Cb -0.06 -1.04 0.01 0.00 1.10 0.00 0.00 33.01 33.02 1men s GLN 29 CO 0.07 -0.13 0.71 0.42 -0.55 0.00 0.00 175.29 175.81 1men s ILE 30 N 1.18 4.80 -0.82 -2.34 1.01 -1.26 0.12 121.20 123.88 1men s ILE 30 Ca -0.07 0.62 0.19 0.00 0.00 0.00 0.00 60.65 61.40 1men s ILE 30 Cb -0.14 -4.17 -0.22 0.00 0.01 0.00 0.00 42.46 37.94 1men s ILE 30 CO -0.01 -0.44 0.78 0.47 0.00 0.00 0.00 174.94 175.74 1men n ASP 31 N 6.29 0.86 -3.61 3.58 9.92 0.18 -4.88 116.55 128.90 1men n ASP 31 Ca 0.01 -0.86 -0.14 0.00 -0.53 0.00 0.00 54.79 53.27 1men n ASP 31 Cb 0.48 1.10 -0.07 0.00 -0.64 0.00 0.00 41.12 41.99 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 -2.88 0.00 -0.10 0.53 1.10 -1.21 -4.47 121.20 114.17 1men s ILE 32 Ca 0.06 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.22 1men s ILE 32 Cb 0.14 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.76 1men s ILE 32 CO 0.80 0.00 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.77 1men s VAL 33 N -0.03 1.56 -0.13 4.00 1.01 -0.86 -1.28 120.40 124.67 1men s VAL 33 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1men s VAL 33 Cb -0.04 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1men s VAL 33 CO 0.02 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.72 1men s ILE 34 N 0.76 2.06 0.02 2.22 1.01 -0.43 -1.37 121.20 125.46 1men s ILE 34 Ca -0.11 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.61 1men s ILE 34 Cb -0.16 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1men s ILE 34 CO 0.02 0.55 -0.15 -0.55 0.00 0.00 0.00 174.94 174.81 1men s SER 35 N 0.72 4.04 0.00 3.58 0.15 -0.46 -0.66 113.70 121.07 1men s SER 35 Ca -0.09 -0.33 0.26 0.00 0.70 0.00 0.00 55.95 56.49 1men s SER 35 Cb -0.16 -0.76 0.94 0.00 -1.71 0.00 0.00 66.02 64.34 1men s SER 35 CO 0.00 0.27 1.68 -0.46 1.20 0.00 0.00 173.24 175.93 1men n ASN 36 N 1.63 1.63 -4.01 5.45 6.94 -1.08 -0.22 115.26 125.61 1men n ASN 36 Ca -0.16 -1.57 -0.19 0.00 -0.02 0.00 0.00 54.58 52.64 1men n ASN 36 Cb 0.52 -0.02 -0.15 0.00 -2.36 0.00 0.00 39.78 37.77 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 -1.95 0.74 0.52 -3.83 1.02 -1.26 -3.97 119.74 111.00 1men s LYS 37 Ca 0.36 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.89 1men s LYS 37 Cb 0.20 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.73 1men s LYS 37 CO 0.32 0.16 0.99 0.00 -0.92 0.00 0.00 175.35 175.90 1men s ALA 38 N -0.10 3.04 -1.43 5.17 0.00 -1.26 -4.31 121.76 122.88 1men s ALA 38 Ca 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1men s ALA 38 Cb -0.04 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1men s ALA 38 CO -0.00 -0.27 0.68 0.00 0.00 0.00 0.00 175.76 176.16 1men n ALA 39 N -1.61 -1.10 -2.68 0.00 0.00 -1.26 -5.00 120.51 108.86 1men n ALA 39 Ca 0.07 0.19 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 1men n ALA 39 Cb 0.54 -3.65 -0.02 0.00 0.00 0.00 0.00 19.45 16.31 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 -3.11 5.13 0.41 0.00 -7.23 -1.26 -4.98 120.40 109.36 1men s VAL 40 Ca 0.45 -0.32 0.16 0.00 -1.81 0.00 0.00 61.98 60.47 1men s VAL 40 Cb -0.22 -3.78 0.37 0.00 0.56 0.00 0.00 36.38 33.31 1men s VAL 40 CO 0.55 -0.34 1.84 0.00 -0.31 0.00 0.00 175.10 176.85 1men h ALA 41 N 1.50 2.16 -0.60 1.32 0.00 -1.82 -2.03 119.26 119.80 1men h ALA 41 Ca -0.49 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.53 1men h ALA 41 Cb 1.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1men h ALA 41 CO 0.65 -0.46 0.40 0.78 0.00 0.00 0.00 179.25 180.62 1men h GLY 42 N 0.44 0.66 1.10 0.00 0.00 -1.04 -1.68 103.07 102.56 1men h GLY 42 Ca 0.49 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1men h GLY 42 CO -0.20 0.14 0.21 1.41 0.00 0.00 0.00 176.54 178.10 1men h LEU 43 N 0.50 1.05 -0.64 3.11 3.38 -1.62 -1.41 115.31 119.68 1men h LEU 43 Ca 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1men h LEU 43 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1men h LEU 43 CO -0.08 0.98 0.28 0.44 0.09 0.00 0.00 178.44 180.16 1men h ASP 44 N 1.07 0.86 -0.42 -0.43 3.32 -1.43 -0.13 116.42 119.27 1men h ASP 44 Ca 0.23 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1men h ASP 44 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1men h ASP 44 CO -0.01 0.77 0.18 0.11 -1.72 0.00 0.00 179.24 178.58 1men h LYS 45 N 0.89 0.62 -0.16 3.56 1.57 -1.17 0.18 116.57 122.06 1men h LYS 45 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1men h LYS 45 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1men h LYS 45 CO -0.02 0.56 0.10 0.00 -0.57 0.00 0.00 179.45 179.52 1men h ALA 46 N 1.03 0.20 -0.28 3.86 0.00 -0.88 -2.27 119.26 120.91 1men h ALA 46 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1men h ALA 46 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1men h ALA 46 CO -0.01 -0.31 0.15 0.93 0.00 0.00 0.00 179.25 180.00 1men h GLU 47 N 0.21 0.40 0.00 0.00 4.39 -0.70 0.11 114.58 118.98 1men h GLU 47 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1men h GLU 47 Cb -0.02 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1men h GLU 47 CO -0.01 0.36 0.00 0.54 -1.16 0.00 0.00 179.01 178.74 1men n ARG 48 N -4.81 0.23 -0.22 2.33 1.74 0.61 -0.06 116.66 116.48 1men n ARG 48 Ca -0.02 0.14 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1men n ARG 48 Cb 0.09 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.25 2.29 -1.67 7.54 0.00 -0.78 -4.95 120.51 121.70 1men n ALA 49 Ca 0.07 -1.11 -0.07 0.00 0.00 0.00 0.00 53.44 52.32 1men n ALA 49 Cb 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 0.97 0.50 3.46 0.00 0.00 0.91 -5.02 105.19 106.03 1men n GLY 50 Ca 0.16 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 4.30 0.60 -0.61 1.01 0.31 -5.00 121.20 119.50 1men s ILE 51 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1men s ILE 51 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1men s ILE 51 CO 0.00 0.36 1.21 -2.16 0.00 0.00 0.00 174.94 174.36 1men s PRO 52 N 1.42 2.95 0.16 2.79 0.04 -1.26 -3.47 135.00 137.62 1men s PRO 52 Ca 0.05 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1men s PRO 52 Cb -0.15 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1men s PRO 52 CO 0.03 -1.23 -0.15 0.95 0.04 0.00 0.00 177.00 176.64 1men s THR 53 N -1.58 1.55 -0.02 1.26 -4.23 -1.26 -2.03 115.64 109.33 1men s THR 53 Ca 0.78 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1men s THR 53 Cb -0.31 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1men s THR 53 CO 0.33 -0.46 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.75 1men s ARG 54 N -3.04 0.74 -0.25 3.99 1.81 -0.47 -4.96 118.95 116.76 1men s ARG 54 Ca 0.15 -0.23 -0.08 0.00 -1.72 0.00 0.00 55.73 53.84 1men s ARG 54 Cb -0.03 -0.72 -0.03 0.00 -0.45 0.00 0.00 34.95 33.71 1men s ARG 54 CO 0.05 0.09 0.10 0.08 -0.68 0.00 0.00 175.30 174.93 1men s VAL 55 N 0.18 4.59 -0.35 3.52 1.01 -1.26 -1.35 120.40 126.74 1men s VAL 55 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1men s VAL 55 Cb -0.07 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.27 1men s VAL 55 CO 0.00 0.33 0.06 -0.63 0.00 0.00 0.00 175.10 174.87 1men s ILE 56 N 1.50 2.29 -0.46 2.22 1.01 0.70 -4.96 121.20 123.50 1men s ILE 56 Ca 0.06 -2.41 -0.29 0.00 0.00 0.00 0.00 60.65 58.02 1men s ILE 56 Cb -0.15 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1men s ILE 56 CO 0.05 -0.61 1.27 0.21 0.00 0.00 0.00 174.94 175.86 1men s ASN 57 N 0.83 6.47 0.63 3.58 3.84 -1.26 -4.03 114.94 125.00 1men s ASN 57 Ca 0.11 0.60 0.38 0.00 0.21 0.00 0.00 52.86 54.16 1men s ASN 57 Cb -0.19 -2.55 2.13 0.00 -0.55 0.00 0.00 41.25 40.09 1men s ASN 57 CO -0.08 -1.37 2.31 1.12 -2.79 0.00 0.00 177.10 176.30 1men h HIS 58 N 9.98 0.00 0.00 0.43 2.07 -1.95 -1.11 115.15 124.57 1men h HIS 58 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1men h HIS 58 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 1men h HIS 58 CO 0.98 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 176.71 1men h LYS 59 N 0.00 0.00 -0.04 5.12 1.57 -1.90 -2.56 116.57 118.76 1men h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1men h LYS 59 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1men h LYS 59 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1men n LEU 60 N -2.90 0.96 -4.78 2.94 4.77 -0.42 -4.90 117.00 112.67 1men n LEU 60 Ca 0.00 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1men n LEU 60 Cb 0.23 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1men n LEU 60 CO 0.24 0.18 -0.13 -0.31 -1.33 0.00 0.00 177.39 176.04 1men s TYR 61 N -1.95 2.69 -0.51 -1.77 1.51 -0.96 -5.05 117.35 111.30 1men s TYR 61 Ca 0.38 -0.47 0.23 0.00 -1.01 0.00 0.00 57.07 56.20 1men s TYR 61 Cb 0.19 -1.88 0.14 0.00 -0.11 0.00 0.00 41.96 40.30 1men s TYR 61 CO 0.31 0.17 1.12 1.63 -1.11 0.00 0.00 175.55 177.67 1men n LYS 62 N -1.29 0.38 -3.88 -0.62 5.02 -1.26 -5.02 118.16 111.48 1men n LYS 62 Ca -0.01 0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1men n LYS 62 Cb 0.62 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1men n LYS 62 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1men s ASN 63 N -4.40 -0.01 0.28 4.39 2.20 -1.26 -5.04 114.94 111.09 1men s ASN 63 Ca 0.03 -0.40 -0.02 0.00 -0.94 0.00 0.00 52.86 51.53 1men s ASN 63 Cb 0.13 0.31 0.39 0.00 -2.00 0.00 0.00 41.25 40.08 1men s ASN 63 CO 0.77 -0.61 1.87 0.03 -2.94 0.00 0.00 177.10 176.22 1men h ARG 64 N 2.00 0.95 -0.56 3.55 3.08 -1.97 -2.60 114.38 118.84 1men h ARG 64 Ca -0.26 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1men h ARG 64 Cb 1.20 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1men h ARG 64 CO 0.33 0.76 0.22 0.28 -1.07 0.00 0.00 179.97 180.48 1men h VAL 65 N 0.94 1.22 -0.10 2.04 2.07 -1.98 0.26 116.25 120.70 1men h VAL 65 Ca 0.23 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1men h VAL 65 Cb 0.15 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1men h VAL 65 CO -0.02 0.27 0.05 -0.33 0.02 0.00 0.00 177.57 177.55 1men h GLU 66 N 0.76 0.15 0.28 1.57 5.08 -1.94 -0.03 114.58 120.45 1men h GLU 66 Ca 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1men h GLU 66 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1men h GLU 66 CO -0.01 0.22 -0.13 0.35 -1.00 0.00 0.00 179.01 178.43 1men h PHE 67 N 0.04 -0.35 -0.60 4.33 3.57 -1.31 -1.01 116.94 121.61 1men h PHE 67 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1men h PHE 67 Cb 0.12 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1men h PHE 67 CO -0.03 -0.20 0.40 -0.44 -2.23 0.00 0.00 178.31 175.81 1men h ASP 68 N -0.40 0.55 -0.45 0.41 5.19 -0.43 -1.21 116.42 120.08 1men h ASP 68 Ca -0.04 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1men h ASP 68 Cb 0.30 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1men h ASP 68 CO 0.06 0.37 -0.13 0.28 -3.12 0.00 0.00 179.24 176.70 1men h SER 69 N 0.63 0.93 -0.76 6.45 0.02 -0.66 0.35 113.55 120.52 1men h SER 69 Ca 0.25 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1men h SER 69 Cb 0.20 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1men h SER 69 CO -0.07 1.06 0.34 0.00 -1.14 0.00 0.00 176.83 177.02 1men h ALA 70 N 1.02 1.15 -0.23 3.77 0.00 0.00 0.31 119.26 125.28 1men h ALA 70 Ca 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1men h ALA 70 Cb 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1men h ALA 70 CO 0.05 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.68 1men h ILE 71 N 1.10 1.29 -0.12 0.00 2.04 -1.02 -2.85 117.51 117.96 1men h ILE 71 Ca 0.26 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1men h ILE 71 Cb 0.16 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1men h ILE 71 CO -0.03 0.33 -0.12 -0.78 0.00 0.00 0.00 178.15 177.56 1men h ASP 72 N 0.19 0.16 -0.82 1.72 3.58 -0.59 -0.69 116.42 119.98 1men h ASP 72 Ca 0.06 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1men h ASP 72 Cb 0.53 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 1men h ASP 72 CO 0.02 0.31 0.41 0.25 -2.88 0.00 0.00 179.24 177.36 1men h LEU 73 N 0.17 1.06 -0.33 2.28 5.85 -0.71 -0.42 115.31 123.21 1men h LEU 73 Ca 0.04 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 1men h LEU 73 Cb 0.32 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1men h LEU 73 CO 0.02 0.88 -0.44 0.58 -0.34 0.00 0.00 178.44 179.14 1men h VAL 74 N 1.16 1.28 -0.68 1.05 2.07 -1.11 -1.82 116.25 118.19 1men h VAL 74 Ca 0.28 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1men h VAL 74 Cb 0.09 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1men h VAL 74 CO -0.04 0.53 0.44 -0.07 0.02 0.00 0.00 177.57 178.46 1men h LEU 75 N 0.69 0.75 -1.00 2.57 3.38 -0.72 -1.45 115.31 119.53 1men h LEU 75 Ca 0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1men h LEU 75 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1men h LEU 75 CO 0.10 0.53 -0.33 -0.33 0.09 0.00 0.00 178.44 178.51 1men h GLU 76 N 0.89 0.30 0.00 1.13 4.39 -1.03 -1.86 114.58 118.40 1men h GLU 76 Ca 0.26 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1men h GLU 76 Cb -0.06 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1men h GLU 76 CO -0.07 0.61 -0.10 1.49 -1.16 0.00 0.00 179.01 179.77 1men h GLU 77 N 0.26 0.00 -0.46 2.33 4.81 -0.39 -2.15 114.58 118.98 1men h GLU 77 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1men h GLU 77 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1men h GLU 77 CO 0.05 0.10 0.00 1.19 -0.73 0.00 0.00 179.01 179.63 1men n PHE 78 N -4.32 0.72 -3.94 0.92 3.01 -0.84 -4.96 117.46 108.05 1men n PHE 78 Ca -0.03 -0.54 -0.31 0.00 1.01 0.00 0.00 57.45 57.59 1men n PHE 78 Cb 0.18 -0.06 0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.78 -4.75 -4.75 4.37 7.64 -0.81 -4.89 113.62 111.21 1men n SER 79 Ca 0.17 -0.79 -0.41 0.00 1.01 0.00 0.00 58.87 58.84 1men n SER 79 Cb 0.55 -3.80 -0.02 0.00 -1.01 0.00 0.00 64.21 59.93 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 -3.29 2.65 -0.24 0.44 -1.09 -0.76 -4.79 121.20 114.13 1men s ILE 80 Ca 0.68 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.74 1men s ILE 80 Cb -0.34 -3.36 -0.20 0.00 -1.58 0.00 0.00 42.46 36.98 1men s ILE 80 CO 0.84 0.10 -0.12 0.47 -1.23 0.00 0.00 174.94 174.99 1men n ASP 81 N 1.96 1.37 -3.99 3.58 8.00 0.04 -4.93 116.55 122.57 1men n ASP 81 Ca 0.05 -0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.26 1men n ASP 81 Cb 0.41 0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.51 0.76 -0.12 0.53 1.01 -0.94 -4.84 121.20 115.09 1men s ILE 82 Ca -0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1men s ILE 82 Cb 0.08 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1men s ILE 82 CO 0.67 0.24 -0.04 -0.69 0.00 0.00 0.00 174.94 175.13 1men s VAL 83 N 0.22 3.94 -0.15 2.92 1.01 0.49 -1.23 120.40 127.61 1men s VAL 83 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1men s VAL 83 Cb -0.09 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1men s VAL 83 CO 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1men s LEU 85 N 0.79 5.71 -0.59 0.00 1.43 0.43 -0.76 118.68 125.69 1men s LEU 85 Ca -0.06 -1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 51.59 1men s LEU 85 Cb -0.15 -2.23 0.15 0.00 0.03 0.00 0.00 46.19 43.99 1men s LEU 85 CO 0.00 -0.77 0.40 0.00 0.23 0.00 0.00 176.35 176.21 1men s ALA 86 N 1.82 3.52 -0.23 4.21 0.00 -0.49 -3.14 121.76 127.45 1men s ALA 86 Ca 0.05 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 48.86 1men s ALA 86 Cb -0.25 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1men s ALA 86 CO 0.06 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1men n GLY 87 N 3.64 0.56 3.64 0.00 0.00 -1.26 -4.35 105.19 107.41 1men n GLY 87 Ca 0.06 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.05 3.05 -0.60 1.61 5.36 -1.26 -2.75 117.98 121.34 1men s PHE 88 Ca 0.00 1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 57.06 1men s PHE 88 Cb 0.00 -3.75 0.20 0.00 -0.34 0.00 0.00 43.02 39.12 1men s PHE 88 CO 0.00 -0.97 2.42 -1.33 -1.46 0.00 0.00 175.22 173.88 1men n MET 89 N 6.98 2.51 -4.34 10.12 2.81 -1.26 -4.92 117.12 129.02 1men n MET 89 Ca 0.12 -2.78 -0.21 0.00 -1.81 0.00 0.00 57.70 53.03 1men n MET 89 Cb 0.47 -2.17 -0.16 0.00 -0.71 0.00 0.00 33.22 30.65 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 -2.70 1.02 -0.22 0.03 1.81 -1.26 -5.10 118.95 112.53 1men s ARG 90 Ca 0.55 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 54.04 1men s ARG 90 Cb 0.40 -0.94 -0.00 0.00 -0.45 0.00 0.00 34.95 33.96 1men s ARG 90 CO -0.27 0.03 0.93 0.96 -0.68 0.00 0.00 175.30 176.27 1men s ILE 91 N 0.50 4.78 0.60 1.52 -0.00 -1.26 -5.01 121.20 122.32 1men s ILE 91 Ca -0.08 1.80 -0.13 0.00 -0.00 0.00 0.00 60.65 62.24 1men s ILE 91 Cb -0.12 -4.21 -0.04 0.00 -0.00 0.00 0.00 42.46 38.09 1men s ILE 91 CO 0.01 -0.10 1.03 -0.76 -0.00 0.00 0.00 174.94 175.12 1men s LEU 92 N 2.82 3.38 0.57 0.37 1.43 -1.26 -5.05 118.68 120.94 1men s LEU 92 Ca 0.40 1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.91 1men s LEU 92 Cb -0.16 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 1men s LEU 92 CO 0.08 -0.94 1.03 -0.94 0.23 0.00 0.00 176.35 175.81 1men s SER 93 N -3.54 6.12 0.16 2.29 1.04 -1.26 -4.86 113.70 113.65 1men s SER 93 Ca 0.58 1.70 -0.18 0.00 0.48 0.00 0.00 55.95 58.52 1men s SER 93 Cb -0.12 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1men s SER 93 CO 0.44 -0.94 1.65 1.23 0.98 0.00 0.00 173.24 176.61 1men h GLY 94 N 0.55 0.17 0.58 7.32 0.00 -1.96 -0.25 103.07 109.47 1men h GLY 94 Ca -0.47 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.11 1men h GLY 94 CO 0.59 -0.17 0.10 -2.55 0.00 0.00 0.00 176.54 174.51 1men h PRO 95 N -0.07 0.23 0.12 4.80 0.11 -1.99 0.19 132.00 135.39 1men h PRO 95 Ca 0.18 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1men h PRO 95 Cb 0.35 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1men h PRO 95 CO -0.42 0.15 -0.17 0.35 -0.21 0.00 0.00 178.00 177.70 1men h PHE 96 N 0.23 -0.43 -0.95 0.65 3.04 -1.80 0.16 116.94 117.85 1men h PHE 96 Ca 0.18 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.26 1men h PHE 96 Cb 0.19 0.18 -0.08 0.00 2.56 0.00 0.00 35.95 38.80 1men h PHE 96 CO -0.18 -0.25 0.57 0.28 -2.02 0.00 0.00 178.31 176.72 1men h VAL 97 N -0.34 0.88 0.43 1.41 2.07 -0.59 -1.06 116.25 119.06 1men h VAL 97 Ca 0.02 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1men h VAL 97 Cb 0.34 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1men h VAL 97 CO -0.07 0.16 -0.21 1.56 0.02 0.00 0.00 177.57 179.03 1men h GLN 98 N 0.90 -0.55 -0.96 1.57 4.20 0.32 -0.92 115.11 119.67 1men h GLN 98 Ca 0.48 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.43 1men h GLN 98 Cb 0.50 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1men h GLN 98 CO -0.28 -0.29 0.61 -0.22 -0.67 0.00 0.00 178.83 177.99 1men h LYS 99 N -0.74 0.55 -0.70 1.46 3.64 -0.14 -0.74 116.57 119.90 1men h LYS 99 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1men h LYS 99 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1men h LYS 99 CO 0.10 0.37 0.00 0.91 -2.27 0.00 0.00 179.45 178.55 1men n TRP 100 N -4.62 0.95 -1.65 1.91 7.02 -0.45 -4.99 117.44 115.60 1men n TRP 100 Ca 0.21 -0.47 -0.51 0.00 -1.02 0.00 0.00 57.50 55.72 1men n TRP 100 Cb 0.66 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.48 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 1.53 2.53 0.00 -0.99 2.85 -0.28 -0.27 115.26 120.63 1men n ASN 101 Ca 0.23 1.07 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1men n ASN 101 Cb 0.59 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.34 1men n ASN 101 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1men n GLY 102 N 3.46 0.72 0.00 8.20 0.00 -1.26 -4.83 105.19 111.48 1men n GLY 102 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.53 0.22 -4.27 1.61 4.01 0.63 -4.78 118.16 113.05 1men n LYS 103 Ca 0.00 -0.53 -0.29 0.00 -0.51 0.00 0.00 58.31 56.98 1men n LYS 103 Cb 0.00 -0.76 -0.17 0.00 -0.51 0.00 0.00 35.03 33.60 1men n LYS 103 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1men s MET 104 N -0.18 2.22 0.07 1.97 1.75 -1.13 -0.38 119.30 123.62 1men s MET 104 Ca 0.00 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1men s MET 104 Cb 0.00 -1.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 1men s MET 104 CO 0.00 -0.14 0.00 -0.51 -0.65 0.00 0.00 175.02 173.73 1men s LEU 105 N 1.20 3.50 0.01 4.11 1.43 0.12 -1.76 118.68 127.30 1men s LEU 105 Ca -0.02 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1men s LEU 105 Cb -0.14 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1men s LEU 105 CO -0.05 0.20 -0.06 0.21 0.23 0.00 0.00 176.35 176.87 1men s ASN 106 N -2.12 0.73 -0.12 2.29 2.47 -0.21 -0.43 114.94 117.56 1men s ASN 106 Ca 0.24 -0.24 -0.02 0.00 0.42 0.00 0.00 52.86 53.27 1men s ASN 106 Cb -0.12 -0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.61 1men s ASN 106 CO 0.17 -0.01 -0.05 -0.51 -3.72 0.00 0.00 177.10 172.97 1men s ILE 107 N -0.52 3.82 -0.05 -5.21 2.07 -1.19 -1.29 121.20 118.84 1men s ILE 107 Ca -0.02 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.85 1men s ILE 107 Cb -0.05 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 39.92 1men s ILE 107 CO 0.00 0.54 -0.14 -2.28 -1.91 0.00 0.00 174.94 171.16 1men s HIS 108 N -0.19 1.47 0.00 3.50 5.65 0.26 -4.74 115.29 121.24 1men s HIS 108 Ca 0.03 -0.45 -0.04 0.00 0.25 0.00 0.00 55.06 54.85 1men s HIS 108 Cb -0.13 -1.02 -0.18 0.00 -1.18 0.00 0.00 32.58 30.07 1men s HIS 108 CO 0.03 -0.18 2.78 -0.35 -0.65 0.00 0.00 174.74 176.37 1men n PRO 109 N 3.36 1.48 -3.72 2.88 -0.04 -1.26 -0.46 135.00 137.23 1men n PRO 109 Ca -0.19 -0.67 -0.07 0.00 -0.04 0.00 0.00 63.50 62.53 1men n PRO 109 Cb 0.53 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 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 2.16 -0.29 -0.79 3.54 1.04 0.10 -4.53 113.70 114.93 1men s SER 110 Ca 0.45 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.27 1men s SER 110 Cb 0.21 0.60 0.09 0.00 0.10 0.00 0.00 66.02 67.02 1men s SER 110 CO 0.00 -1.07 1.08 -0.76 0.98 0.00 0.00 173.24 173.47 1men s LEU 111 N -2.86 4.44 0.76 2.42 1.43 -1.25 -2.67 118.68 120.95 1men s LEU 111 Ca 0.09 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.71 1men s LEU 111 Cb -0.03 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.81 1men s LEU 111 CO 0.01 -1.35 1.22 -0.76 0.23 0.00 0.00 176.35 175.69 1men s LEU 112 N 3.81 3.26 0.00 1.79 1.43 -1.26 -1.51 118.68 126.20 1men s LEU 112 Ca 0.29 2.40 0.12 0.00 -1.03 0.00 0.00 54.13 55.90 1men s LEU 112 Cb -0.11 -4.59 0.70 0.00 0.03 0.00 0.00 46.19 42.22 1men s LEU 112 CO 0.02 -2.45 1.25 -0.81 0.23 0.00 0.00 176.35 174.59 1men n PRO 113 N -2.92 0.73 -2.39 1.29 -0.04 -1.26 -5.09 135.00 125.32 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 0.50 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.64 6.22 -1.09 3.54 0.01 -0.57 -4.24 113.70 115.94 1men s SER 114 Ca 0.18 2.13 -0.22 0.00 1.31 0.00 0.00 55.95 59.34 1men s SER 114 Cb 0.08 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1men s SER 114 CO 0.14 -0.87 0.69 0.49 0.41 0.00 0.00 173.24 174.10 1men n PHE 115 N -0.71 -1.71 -1.66 2.43 3.72 -1.26 -4.53 117.46 113.73 1men n PHE 115 Ca 0.08 0.37 -0.31 0.00 -0.05 0.00 0.00 57.45 57.54 1men n PHE 115 Cb 0.50 -2.96 0.04 0.00 -0.94 0.00 0.00 39.48 36.12 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 -6.37 3.10 0.94 -1.08 1.02 -1.26 -4.65 119.74 111.43 1men s LYS 116 Ca 0.35 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1men s LYS 116 Cb -0.18 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1men s LYS 116 CO 0.92 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1men n GLY 117 N -2.08 -1.78 3.86 -3.33 0.00 -1.26 -4.90 105.19 95.70 1men n GLY 117 Ca 0.07 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.00 6.23 -1.34 1.61 1.04 -1.26 -4.24 113.70 111.74 1men s SER 118 Ca 0.00 1.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.86 1men s SER 118 Cb 0.00 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.66 1men s SER 118 CO 0.00 -0.86 0.98 0.59 0.98 0.00 0.00 173.24 174.93 1men n ASN 119 N -2.50 -3.67 -0.23 7.02 3.02 -1.26 -4.89 115.26 112.76 1men n ASN 119 Ca 0.06 -0.68 0.03 0.00 -0.03 0.00 0.00 54.58 53.96 1men n ASN 119 Cb 0.54 -4.59 0.15 0.00 -0.61 0.00 0.00 39.78 35.26 1men n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1men h ALA 120 N 0.94 0.90 -0.78 5.41 0.00 -1.83 -0.83 119.26 123.08 1men h ALA 120 Ca -0.59 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1men h ALA 120 Cb 1.36 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1men h ALA 120 CO 0.57 -0.22 0.38 0.45 0.00 0.00 0.00 179.25 180.42 1men h HIS 121 N 0.39 1.12 -0.39 0.00 3.86 -1.91 0.29 115.15 118.52 1men h HIS 121 Ca 0.36 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.41 1men h HIS 121 Cb 0.52 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1men h HIS 121 CO -0.19 0.81 -0.22 0.93 0.86 0.00 0.00 177.93 180.13 1men h GLU 122 N 1.10 0.76 -0.39 2.45 5.08 -1.75 0.56 114.58 122.39 1men h GLU 122 Ca 0.27 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1men h GLU 122 Cb 0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1men h GLU 122 CO -0.03 0.91 0.08 1.96 -1.00 0.00 0.00 179.01 180.93 1men h GLN 123 N 0.67 0.62 -0.40 2.33 4.20 -0.24 0.40 115.11 122.69 1men h GLN 123 Ca 0.09 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1men h GLN 123 Cb 0.72 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1men h GLN 123 CO 0.06 0.66 0.15 0.00 -0.67 0.00 0.00 178.83 179.02 1men h ALA 124 N 0.93 0.48 -0.29 3.87 0.00 -0.09 0.11 119.26 124.27 1men h ALA 124 Ca 0.12 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1men h ALA 124 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1men h ALA 124 CO 0.00 -0.24 -0.45 -0.07 0.00 0.00 0.00 179.25 178.49 1men h LEU 125 N 0.31 0.81 -0.47 0.00 3.38 -0.70 -1.37 115.31 117.27 1men h LEU 125 Ca 0.19 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1men h LEU 125 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1men h LEU 125 CO -0.19 1.14 0.20 -0.33 0.09 0.00 0.00 178.44 179.35 1men h GLU 126 N 0.60 0.70 -0.38 1.13 4.39 -0.48 -3.11 114.58 117.44 1men h GLU 126 Ca 0.04 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1men h GLU 126 Cb 1.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1men h GLU 126 CO 0.10 0.63 0.15 1.15 -1.16 0.00 0.00 179.01 179.87 1men h THR 127 N 0.62 1.20 0.00 1.13 2.02 -0.70 -3.48 112.91 113.71 1men h THR 127 Ca 0.16 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1men h THR 127 Cb 0.18 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1men h THR 127 CO -0.01 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.70 1men n GLY 128 N -0.74 1.17 3.72 2.16 0.00 -0.53 -5.09 105.19 105.89 1men n GLY 128 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.36 -1.25 1.61 -7.23 -1.21 -4.91 120.40 107.77 1men s VAL 129 Ca 0.00 0.16 0.13 0.00 -1.81 0.00 0.00 61.98 60.47 1men s VAL 129 Cb 0.00 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1men s VAL 129 CO 0.00 -0.11 0.77 0.35 -0.31 0.00 0.00 175.10 175.80 1men n THR 130 N -3.02 0.00 -3.92 5.32 -2.24 -1.26 -4.81 114.28 104.35 1men n THR 130 Ca 0.13 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 1men n THR 130 Cb 0.51 1.16 -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 -1.63 0.35 0.00 2.28 1.01 -1.26 -0.43 120.40 120.72 1men s VAL 131 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1men s VAL 131 Cb 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1men s VAL 131 CO 0.33 0.22 0.00 1.07 0.00 0.00 0.00 175.10 176.72 1men n THR 132 N 4.59 0.00 -0.29 3.92 5.66 0.25 -4.95 114.28 123.46 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 1.42 -0.52 3.22 1.09 0.00 -1.26 0.72 105.19 109.86 1men n GLY 133 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.17 0.05 -0.12 0.00 -4.23 0.39 -2.01 115.64 106.53 1men s THR 135 Ca -0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1men s THR 135 Cb 0.02 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1men s THR 135 CO -0.07 -0.21 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.04 1men s VAL 136 N -0.71 3.70 0.06 2.29 1.01 0.07 -0.58 120.40 126.25 1men s VAL 136 Ca -0.08 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1men s VAL 136 Cb -0.05 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1men s VAL 136 CO 0.01 0.53 0.31 -1.38 0.00 0.00 0.00 175.10 174.57 1men s HIS 137 N -0.01 -0.10 0.45 5.22 -0.00 -0.42 -1.08 115.29 119.35 1men s HIS 137 Ca -0.00 -0.08 -0.23 0.00 -0.00 0.00 0.00 55.06 54.75 1men s HIS 137 Cb -0.13 0.11 -0.08 0.00 -0.00 0.00 0.00 32.58 32.48 1men s HIS 137 CO 0.03 -0.54 1.15 -0.06 -0.00 0.00 0.00 174.74 175.32 1men s PHE 138 N -2.85 2.95 -0.02 0.38 0.08 -0.07 -1.04 117.98 117.41 1men s PHE 138 Ca -0.03 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.34 1men s PHE 138 Cb 0.00 -3.34 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 1men s PHE 138 CO -0.05 -1.35 0.69 0.08 -0.10 0.00 0.00 175.22 174.49 1men s VAL 139 N -1.56 4.93 0.25 -0.44 1.01 -0.72 -3.47 120.40 120.40 1men s VAL 139 Ca 0.62 1.44 0.11 0.00 0.00 0.00 0.00 61.98 64.15 1men s VAL 139 Cb -0.28 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1men s VAL 139 CO 0.34 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.58 1men s ALA 140 N 0.33 2.49 0.17 5.51 0.00 -1.26 -4.65 121.76 124.35 1men s ALA 140 Ca 0.36 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1men s ALA 140 Cb -0.19 -0.20 0.28 0.00 0.00 0.00 0.00 23.12 23.01 1men s ALA 140 CO 0.19 0.21 0.94 0.39 0.00 0.00 0.00 175.76 177.49 1men n GLU 141 N -0.52 -0.06 -4.34 0.00 -0.58 -1.26 -3.98 120.64 109.90 1men n GLU 141 Ca -0.06 0.94 -0.33 0.00 -0.42 0.00 0.00 57.16 57.29 1men n GLU 141 Cb 0.60 -1.41 -0.09 0.00 -0.57 0.00 0.00 31.44 29.97 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 -5.16 5.08 0.00 1.62 -4.77 -1.26 -4.90 116.67 107.29 1men s ASP 142 Ca -0.09 0.01 -0.01 0.00 -3.30 0.00 0.00 52.55 49.17 1men s ASP 142 Cb 0.16 -1.34 -0.02 0.00 -1.09 0.00 0.00 42.92 40.63 1men s ASP 142 CO 0.47 0.31 1.89 1.33 0.70 0.00 0.00 175.17 179.86 1men n VAL 143 N 1.61 1.82 -0.01 2.11 0.24 -1.26 -2.97 118.33 119.88 1men n VAL 143 Ca -0.16 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1men n VAL 143 Cb 0.53 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1men n VAL 143 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1men n ASP 144 N 1.67 0.00 -0.64 -1.34 9.92 -1.26 -4.85 116.55 120.05 1men n ASP 144 Ca 0.04 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.36 1men n ASP 144 Cb 0.47 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 41.12 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 0.00 2.36 -1.65 2.24 0.00 -1.16 -4.99 120.51 117.30 1men n ALA 145 Ca 0.00 -1.43 -0.47 0.00 0.00 0.00 0.00 53.44 51.54 1men n ALA 145 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 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 0.18 1.44 3.65 0.00 0.00 -1.26 -4.82 105.19 104.37 1men n GLY 146 Ca 0.13 0.85 -0.42 0.00 0.00 0.00 0.00 46.02 46.58 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 4.54 3.95 0.20 1.61 -1.52 -1.23 -4.68 119.66 122.54 1men s GLN 147 Ca 0.94 2.12 -0.31 0.00 -1.95 0.00 0.00 55.36 56.17 1men s GLN 147 Cb -0.62 -4.08 -0.10 0.00 -0.22 0.00 0.00 33.01 27.99 1men s GLN 147 CO 0.48 -1.13 1.47 0.42 -0.25 0.00 0.00 175.29 176.28 1men s ILE 148 N 4.92 2.77 -0.20 1.08 1.01 -1.26 -0.89 121.20 128.63 1men s ILE 148 Ca 0.79 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 1men s ILE 148 Cb -0.33 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 1men s ILE 148 CO 0.33 0.07 -0.26 -0.38 0.00 0.00 0.00 174.94 174.70 1men n ILE 149 N 3.12 1.12 -3.80 2.92 5.41 -0.24 -4.91 119.36 122.98 1men n ILE 149 Ca 0.10 -0.29 -0.12 0.00 1.00 0.00 0.00 62.75 63.44 1men n ILE 149 Cb 0.40 -1.76 -0.09 0.00 -0.71 0.00 0.00 39.64 37.49 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 -7.08 1.09 0.05 1.39 1.43 -1.03 -5.02 118.68 109.52 1men s LEU 150 Ca -0.28 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1men s LEU 150 Cb 0.11 1.11 -0.02 0.00 0.03 0.00 0.00 46.19 47.41 1men s LEU 150 CO 0.36 -0.48 0.06 -1.10 0.23 0.00 0.00 176.35 175.42 1men s GLN 151 N -1.77 0.62 -0.13 1.70 -0.21 -1.26 -0.75 119.66 117.86 1men s GLN 151 Ca -0.11 -0.96 -0.05 0.00 0.02 0.00 0.00 55.36 54.26 1men s GLN 151 Cb -0.04 0.24 0.07 0.00 1.00 0.00 0.00 33.01 34.27 1men s GLN 151 CO 0.01 -0.15 0.26 -2.00 -2.12 0.00 0.00 175.29 171.29 1men s GLU 152 N -3.27 0.15 0.44 2.91 2.12 -0.85 -5.01 118.70 115.19 1men s GLU 152 Ca 0.01 0.73 -0.23 0.00 0.36 0.00 0.00 54.97 55.84 1men s GLU 152 Cb 0.03 -0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.26 1men s GLU 152 CO -0.08 -0.30 1.08 0.00 -0.54 0.00 0.00 175.26 175.42 1men s ALA 153 N 2.42 2.99 -0.04 6.30 0.00 -1.26 -2.07 121.76 130.10 1men s ALA 153 Ca 0.02 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1men s ALA 153 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1men s ALA 153 CO -0.09 -0.38 0.01 0.08 0.00 0.00 0.00 175.76 175.39 1men s VAL 154 N -1.70 0.17 0.60 0.00 1.01 0.22 -4.88 120.40 115.82 1men s VAL 154 Ca 0.62 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 1men s VAL 154 Cb -0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1men s VAL 154 CO 0.28 0.17 1.18 -2.16 0.00 0.00 0.00 175.10 174.57 1men s PRO 155 N 1.33 2.99 -0.20 2.72 0.04 -1.26 -0.58 135.00 140.03 1men s PRO 155 Ca -0.05 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1men s PRO 155 Cb -0.13 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1men s PRO 155 CO -0.02 -1.17 -0.07 0.08 0.04 0.00 0.00 177.00 175.86 1men s VAL 156 N -1.72 3.28 0.17 -0.36 1.01 0.43 -4.80 120.40 118.41 1men s VAL 156 Ca 0.75 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1men s VAL 156 Cb -0.28 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1men s VAL 156 CO 0.33 0.45 0.65 -0.54 0.00 0.00 0.00 175.10 175.99 1men s LYS 157 N 1.20 4.18 0.24 2.72 1.02 -1.26 -4.81 119.74 123.03 1men s LYS 157 Ca 0.02 0.75 -0.30 0.00 0.02 0.00 0.00 55.97 56.47 1men s LYS 157 Cb -0.14 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 1men s LYS 157 CO -0.02 0.47 1.29 1.03 -0.92 0.00 0.00 175.35 177.20 1men s ARG 158 N -1.77 4.40 0.00 1.68 0.52 -1.26 -1.79 118.95 120.73 1men s ARG 158 Ca 0.39 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 1men s ARG 158 Cb -0.17 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1men s ARG 158 CO 0.20 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.74 1men n GLY 159 N 1.88 0.66 3.77 -3.53 0.00 -1.26 -5.05 105.19 101.66 1men n GLY 159 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1men n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1men s ASP 160 N -2.81 6.36 0.52 1.61 1.01 -0.74 -5.06 116.67 117.57 1men s ASP 160 Ca 0.00 2.22 0.06 0.00 0.71 0.00 0.00 52.55 55.54 1men s ASP 160 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1men s ASP 160 CO 0.00 -0.78 0.40 0.42 0.21 0.00 0.00 175.17 175.42 1men s THR 161 N -1.59 1.85 0.29 -1.27 -4.23 -1.26 -4.93 115.64 104.50 1men s THR 161 Ca 0.62 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1men s THR 161 Cb -0.26 -2.32 0.20 0.00 1.34 0.00 0.00 72.50 71.46 1men s THR 161 CO 0.32 0.00 1.89 0.58 -0.54 0.00 0.00 174.62 176.88 1men h VAL 162 N 0.81 1.21 -0.21 2.29 2.07 -1.97 -1.69 116.25 118.77 1men h VAL 162 Ca -0.37 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1men h VAL 162 Cb 1.29 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1men h VAL 162 CO 0.57 0.25 0.03 0.00 0.02 0.00 0.00 177.57 178.45 1men h ALA 163 N 1.42 0.28 -0.32 1.67 0.00 -1.99 -0.55 119.26 119.77 1men h ALA 163 Ca 0.23 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1men h ALA 163 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1men h ALA 163 CO -0.03 -0.04 -0.39 1.79 0.00 0.00 0.00 179.25 180.57 1men h THR 164 N 0.14 1.29 -0.14 0.00 1.35 -1.89 -1.37 112.91 112.29 1men h THR 164 Ca 0.06 -1.57 -0.03 0.00 -0.55 0.00 0.00 66.41 64.32 1men h THR 164 Cb 0.33 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1men h THR 164 CO 0.00 0.51 -0.03 0.25 -0.25 0.00 0.00 175.52 176.00 1men h LEU 165 N 0.62 0.26 -1.21 3.87 5.85 -1.30 -1.95 115.31 121.46 1men h LEU 165 Ca 0.05 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1men h LEU 165 Cb 0.95 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1men h LEU 165 CO 0.09 0.57 0.52 0.77 -0.34 0.00 0.00 178.44 180.04 1men h SER 166 N -0.05 0.91 -0.39 1.25 4.64 -1.07 -0.06 113.55 118.79 1men h SER 166 Ca 0.03 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1men h SER 166 Cb 0.45 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1men h SER 166 CO 0.01 0.67 0.17 -0.33 -0.87 0.00 0.00 176.83 176.48 1men h GLU 167 N 1.07 0.58 -0.54 4.77 5.08 -1.12 -1.06 114.58 123.36 1men h GLU 167 Ca 0.29 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1men h GLU 167 Cb -0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1men h GLU 167 CO -0.06 0.53 0.25 -0.09 -1.00 0.00 0.00 179.01 178.64 1men h ARG 168 N 0.49 0.79 -0.23 2.33 2.43 -0.54 -2.76 114.38 116.89 1men h ARG 168 Ca 0.13 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1men h ARG 168 Cb 0.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1men h ARG 168 CO -0.01 0.66 -0.26 0.28 -1.51 0.00 0.00 179.97 179.12 1men h VAL 169 N 0.73 1.26 -0.38 0.20 2.07 -0.84 -2.65 116.25 116.65 1men h VAL 169 Ca 0.18 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1men h VAL 169 Cb 0.14 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1men h VAL 169 CO -0.02 0.40 0.25 0.11 0.02 0.00 0.00 177.57 178.33 1men h LYS 170 N 0.38 0.38 -0.74 1.57 1.57 -0.90 -0.52 116.57 118.31 1men h LYS 170 Ca 0.06 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1men h LYS 170 Cb 0.67 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1men h LYS 170 CO 0.05 0.25 0.29 -0.07 -0.57 0.00 0.00 179.45 179.41 1men h LEU 171 N 0.39 1.01 -0.28 2.94 3.38 -1.37 0.78 115.31 122.17 1men h LEU 171 Ca 0.15 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1men h LEU 171 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1men h LEU 171 CO -0.04 0.90 -0.44 0.00 0.09 0.00 0.00 178.44 178.95 1men h ALA 172 N 1.25 0.43 -0.93 1.53 0.00 -1.21 -3.00 119.26 117.32 1men h ALA 172 Ca 0.25 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1men h ALA 172 Cb 0.20 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1men h ALA 172 CO -0.02 0.56 0.60 0.93 0.00 0.00 0.00 179.25 181.32 1men h GLU 173 N 0.54 0.95 0.00 0.00 5.08 -0.49 0.15 114.58 120.82 1men h GLU 173 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1men h GLU 173 Cb 1.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1men h GLU 173 CO 0.10 0.63 0.00 0.72 -1.00 0.00 0.00 179.01 179.46 1men n HIS 174 N -4.53 0.64 -0.12 4.33 8.25 0.21 -1.68 115.22 122.32 1men n HIS 174 Ca 0.15 0.26 -0.21 0.00 -0.26 0.00 0.00 57.72 57.67 1men n HIS 174 Cb 0.27 -0.92 -0.08 0.00 1.12 0.00 0.00 29.99 30.38 1men n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1men n LYS 175 N -2.09 0.56 0.11 -0.41 5.02 0.38 -4.43 118.16 117.29 1men n LYS 175 Ca 0.02 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.61 1men n LYS 175 Cb 0.19 -1.54 0.16 0.00 -0.02 0.00 0.00 35.03 33.81 1men n LYS 175 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1men h ILE 176 N -1.00 1.39 0.12 -0.18 3.07 -1.12 -2.72 117.51 117.08 1men h ILE 176 Ca -0.41 -1.95 -0.01 0.00 1.55 0.00 0.00 64.86 64.04 1men h ILE 176 Cb 1.31 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.87 1men h ILE 176 CO -0.25 0.57 -0.06 0.15 -1.05 0.00 0.00 178.15 177.51 1men h PHE 177 N 0.11 -0.15 -0.67 0.16 3.04 -1.56 0.61 116.94 118.48 1men h PHE 177 Ca -0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1men h PHE 177 Cb 1.05 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 1men h PHE 177 CO 0.01 0.08 0.31 -1.35 -2.02 0.00 0.00 178.31 175.35 1men h PRO 178 N -0.37 0.95 -0.40 6.41 0.11 -1.77 -0.13 132.00 136.80 1men h PRO 178 Ca -0.02 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 1men h PRO 178 Cb 0.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1men h PRO 178 CO 0.03 0.74 -0.07 0.00 -0.21 0.00 0.00 178.00 178.49 1men h ALA 179 N 1.40 1.13 -0.08 -0.75 0.00 -1.32 -2.35 119.26 117.30 1men h ALA 179 Ca 0.23 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1men h ALA 179 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1men h ALA 179 CO -0.03 0.55 -0.90 0.00 0.00 0.00 0.00 179.25 178.87 1men h ALA 180 N 1.30 0.25 -0.88 0.00 0.00 0.01 -0.94 119.26 119.00 1men h ALA 180 Ca 0.12 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1men h ALA 180 Cb 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1men h ALA 180 CO 0.03 0.69 0.56 1.25 0.00 0.00 0.00 179.25 181.78 1men h LEU 181 N 0.46 0.91 0.14 0.00 5.85 -0.94 -0.38 115.31 121.36 1men h LEU 181 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1men h LEU 181 Cb 1.53 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1men h LEU 181 CO 0.18 0.61 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.21 1men h GLN 182 N 1.06 -0.18 -0.21 1.25 5.75 -1.32 0.64 115.11 122.11 1men h GLN 182 Ca 0.36 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.93 1men h GLN 182 Cb 0.07 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.59 1men h GLN 182 CO -0.14 0.00 -0.34 -0.07 -2.65 0.00 0.00 178.83 175.63 1men h LEU 183 N -0.32 -1.09 -0.76 -2.39 -0.00 -0.51 0.11 115.31 110.35 1men h LEU 183 Ca -0.02 0.17 -0.11 0.00 -0.00 0.00 0.00 57.88 57.92 1men h LEU 183 Cb 0.26 0.47 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1men h LEU 183 CO 0.03 -0.36 -0.24 0.58 -0.00 0.00 0.00 178.44 178.44 1men h VAL 184 N -0.37 1.27 0.00 1.22 2.07 -0.98 -1.97 116.25 117.49 1men h VAL 184 Ca 0.11 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 1men h VAL 184 Cb 0.56 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1men h VAL 184 CO -0.42 0.44 -0.46 0.00 0.02 0.00 0.00 177.57 177.15 1men h ALA 185 N 1.14 1.14 -0.13 1.67 0.00 0.93 -2.85 119.26 121.16 1men h ALA 185 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1men h ALA 185 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1men h ALA 185 CO 0.06 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 1men n SER 186 N -3.85 2.02 0.00 0.00 3.41 0.34 -4.76 113.62 110.78 1men n SER 186 Ca -0.01 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1men n SER 186 Cb 0.50 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.22 1.81 0.28 5.00 0.00 -1.08 -4.89 105.19 107.54 1men n GLY 187 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.04 -3.68 2.61 2.02 -1.63 -3.41 112.91 109.86 1men h THR 188 Ca 0.00 -0.29 -0.68 0.00 0.77 0.00 0.00 66.41 66.21 1men h THR 188 Cb 0.00 0.14 -0.29 0.00 -1.74 0.00 0.00 68.15 66.25 1men h THR 188 CO 0.00 0.15 -0.83 -0.69 0.37 0.00 0.00 175.52 174.52 1men s VAL 189 N -6.10 2.47 0.08 3.16 1.01 -1.02 -0.38 120.40 119.63 1men s VAL 189 Ca -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1men s VAL 189 Cb 0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1men s VAL 189 CO 0.77 0.56 -0.00 -1.10 0.00 0.00 0.00 175.10 175.33 1men s GLN 190 N 0.00 0.74 -0.22 2.72 -0.21 0.46 -4.25 119.66 118.91 1men s GLN 190 Ca -0.07 -1.31 -0.22 0.00 0.02 0.00 0.00 55.36 53.78 1men s GLN 190 Cb -0.15 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 1men s GLN 190 CO 0.05 -0.15 0.71 -1.17 -2.12 0.00 0.00 175.29 172.61 1men s LEU 191 N -2.98 4.11 0.79 2.90 0.20 -1.26 -0.36 118.68 122.09 1men s LEU 191 Ca 0.13 0.91 -0.11 0.00 0.69 0.00 0.00 54.13 55.75 1men s LEU 191 Cb 0.08 -3.01 0.07 0.00 -0.43 0.00 0.00 46.19 42.90 1men s LEU 191 CO -0.05 -0.37 1.09 -0.83 -0.29 0.00 0.00 176.35 175.89 1men s GLY 192 N 1.29 1.65 0.49 7.98 0.00 0.46 -4.91 107.32 114.28 1men s GLY 192 Ca 0.31 0.04 0.29 0.00 0.00 0.00 0.00 44.72 45.36 1men s GLY 192 CO 0.10 0.43 1.83 0.83 0.00 0.00 0.00 173.10 176.29 1men h GLU 193 N -1.15 0.00 0.00 2.90 4.39 -1.96 -1.33 114.58 117.44 1men h GLU 193 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1men h GLU 193 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1men h GLU 193 CO 0.55 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.67 1men n ASN 194 N -3.03 0.00 0.00 1.42 0.23 -1.26 -4.87 115.26 107.75 1men n ASN 194 Ca 0.02 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.60 1men n ASN 194 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 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 0.73 3.15 3.91 4.83 0.00 -0.50 -5.03 105.19 112.28 1men n GLY 195 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.30 3.04 0.51 1.61 -0.14 -1.26 -4.66 119.74 118.54 1men s LYS 196 Ca 0.00 0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.55 1men s LYS 196 Cb 0.00 -2.23 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 1men s LYS 196 CO 0.00 -0.69 1.32 -1.50 -0.76 0.00 0.00 175.35 173.72 1men s ILE 197 N -3.04 2.34 -0.04 2.17 1.10 -1.26 -0.40 121.20 122.06 1men s ILE 197 Ca 0.54 0.26 -0.02 0.00 -0.51 0.00 0.00 60.65 60.92 1men s ILE 197 Cb -0.11 -3.13 0.03 0.00 0.15 0.00 0.00 42.46 39.40 1men s ILE 197 CO 0.47 0.00 0.05 0.00 -2.11 0.00 0.00 174.94 173.36 1men s TRP 199 N 2.07 3.26 -2.00 0.00 0.52 -1.26 -0.40 118.94 121.12 1men s TRP 199 Ca 0.04 0.08 0.20 0.00 0.02 0.00 0.00 56.10 56.44 1men s TRP 199 Cb -0.12 -2.10 1.19 0.00 -1.15 0.00 0.00 33.47 31.29 1men s TRP 199 CO -0.03 0.14 1.58 1.55 0.02 0.00 0.00 176.95 180.21