#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afp n ARG 2 N 0.00 0.29 -2.73 -1.09 0.00 -1.26 -5.11 116.66 106.77 2afp n ARG 2 Ca 0.00 -2.95 -0.43 0.00 -0.00 0.00 0.00 57.85 54.47 2afp n ARG 2 Cb 0.00 -1.60 -0.03 0.00 -0.00 0.00 0.00 32.46 30.83 2afp n ARG 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2afp s ALA 3 N 0.13 3.62 0.00 2.89 0.00 -1.26 -4.87 121.76 122.27 2afp s ALA 3 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2afp s ALA 3 Cb 0.04 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2afp s ALA 3 CO -0.17 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2afp n GLY 4 N 3.62 -1.45 0.05 0.00 0.00 -1.26 -5.10 105.19 101.05 2afp n GLY 4 Ca 0.10 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 2afp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2afp h PRO 5 N 0.00 0.00 0.00 1.61 0.13 -1.99 -3.50 132.00 128.25 2afp h PRO 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2afp h PRO 5 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2afp h PRO 5 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2afp n ASN 6 N -4.40 0.00 -4.98 1.44 3.02 -1.26 -5.04 115.26 104.04 2afp n ASN 6 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.33 2afp n ASN 6 Cb 0.04 0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 2afp n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2afp h PRO 8 N 0.19 0.00 -1.38 0.00 0.13 -2.01 -3.50 132.00 125.43 2afp h PRO 8 Ca -0.42 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.98 2afp h PRO 8 Cb 1.29 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.22 2afp h PRO 8 CO 0.51 0.00 0.84 0.00 -0.23 0.00 0.00 178.00 179.13 2afp s ALA 9 N -2.62 -2.10 -1.31 -0.56 0.00 -1.26 -4.99 121.76 108.91 2afp s ALA 9 Ca -0.01 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.55 2afp s ALA 9 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2afp s ALA 9 CO 0.01 -0.56 0.98 0.41 0.00 0.00 0.00 175.76 176.60 2afp n GLY 10 N -0.03 -0.45 0.20 0.00 0.00 -1.26 -4.98 105.19 98.68 2afp n GLY 10 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 2afp n GLY 10 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2afp n TRP 11 N -4.76 -0.40 -3.61 1.61 7.02 -1.26 -5.04 117.44 111.01 2afp n TRP 11 Ca -0.02 -0.15 -0.29 0.00 -1.02 0.00 0.00 57.50 56.02 2afp n TRP 11 Cb 0.57 0.03 -0.13 0.00 -2.42 0.00 0.00 31.31 29.36 2afp n TRP 11 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2afp s GLN 12 N -2.06 0.82 -1.31 -0.99 -0.21 -1.26 -5.03 119.66 109.63 2afp s GLN 12 Ca 0.02 -1.48 -0.08 0.00 0.02 0.00 0.00 55.36 53.84 2afp s GLN 12 Cb -0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 2afp s GLN 12 CO 0.01 -1.14 2.78 -0.35 -2.12 0.00 0.00 175.29 174.47 2afp n PRO 13 N 4.08 3.85 -1.73 2.91 -0.04 -1.26 -0.05 135.00 142.77 2afp n PRO 13 Ca 0.07 -2.61 -0.42 0.00 -0.04 0.00 0.00 63.50 60.49 2afp n PRO 13 Cb 0.37 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 2afp n PRO 13 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2afp s LEU 14 N -0.89 4.07 0.00 1.53 2.96 -1.22 -4.15 118.68 120.97 2afp s LEU 14 Ca 0.63 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 2afp s LEU 14 Cb 0.21 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.37 2afp s LEU 14 CO -0.08 -1.34 0.00 0.61 -1.32 0.00 0.00 176.35 174.22 2afp n GLY 15 N 4.90 1.87 1.81 7.98 0.00 -1.26 -3.98 105.19 116.50 2afp n GLY 15 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2afp n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2afp n ASP 16 N 5.35 0.01 -3.33 1.61 8.00 -1.26 -5.06 116.55 121.88 2afp n ASP 16 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2afp n ASP 16 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2afp n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2afp n ARG 17 N -2.78 0.78 -3.96 -1.24 1.74 -1.26 -4.76 116.66 105.18 2afp n ARG 17 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2afp n ARG 17 Cb 0.08 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.36 2afp n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2afp s ILE 19 N 0.92 0.17 0.27 0.00 2.07 0.93 0.56 121.20 126.12 2afp s ILE 19 Ca -0.09 -1.51 0.04 0.00 -1.41 0.00 0.00 60.65 57.67 2afp s ILE 19 Cb -0.13 -1.48 -0.06 0.00 0.13 0.00 0.00 42.46 40.92 2afp s ILE 19 CO -0.01 -0.78 0.01 -0.31 -1.91 0.00 0.00 174.94 171.93 2afp s TYR 20 N -3.90 1.74 -0.02 3.50 1.51 0.29 -4.00 117.35 116.48 2afp s TYR 20 Ca 0.07 -0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 54.95 2afp s TYR 20 Cb 0.06 -1.04 0.09 0.00 -0.11 0.00 0.00 41.96 40.95 2afp s TYR 20 CO -0.09 0.02 0.75 -0.47 -1.11 0.00 0.00 175.55 174.65 2afp s TYR 21 N -3.32 -0.54 0.06 2.71 6.14 -1.26 -3.33 117.35 117.80 2afp s TYR 21 Ca 0.31 0.75 0.01 0.00 0.64 0.00 0.00 57.07 58.79 2afp s TYR 21 Cb 0.06 0.46 -0.00 0.00 0.42 0.00 0.00 41.96 42.90 2afp s TYR 21 CO 0.11 -0.60 0.05 -1.91 0.64 0.00 0.00 175.55 173.84 2afp n GLU 22 N 0.46 0.08 0.00 4.97 2.13 -1.05 -5.02 120.64 122.22 2afp n GLU 22 Ca -0.16 -0.56 0.00 0.00 0.66 0.00 0.00 57.16 57.10 2afp n GLU 22 Cb 0.59 0.46 0.00 0.00 0.27 0.00 0.00 31.44 32.76 2afp n GLU 22 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2afp n THR 23 N -0.11 0.00 -1.70 6.31 -2.24 -1.26 -4.62 114.28 110.66 2afp n THR 23 Ca 0.01 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.36 2afp n THR 23 Cb 0.10 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2afp n THR 23 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2afp n THR 24 N -2.04 0.77 -1.58 4.28 5.66 -1.26 -4.52 114.28 115.60 2afp n THR 24 Ca 0.00 -0.19 -0.44 0.00 -3.05 0.00 0.00 64.05 60.36 2afp n THR 24 Cb 0.00 -1.70 -0.04 0.00 -1.55 0.00 0.00 70.33 67.04 2afp n THR 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2afp n ALA 25 N 2.36 1.67 -3.44 1.79 0.00 -1.26 -4.35 120.51 117.28 2afp n ALA 25 Ca 0.12 -0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 2afp n ALA 25 Cb 0.33 -2.85 -0.11 0.00 0.00 0.00 0.00 19.45 16.82 2afp n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp s MET 26 N 6.25 0.27 1.04 0.00 0.00 -0.48 -4.64 119.30 121.74 2afp s MET 26 Ca 1.02 0.03 -0.15 0.00 0.00 0.00 0.00 55.69 56.58 2afp s MET 26 Cb -0.42 -0.88 0.21 0.00 0.00 0.00 0.00 34.83 33.74 2afp s MET 26 CO 0.38 -0.85 1.15 0.99 0.00 0.00 0.00 175.02 176.69 2afp s THR 27 N 2.35 1.86 0.05 3.16 2.01 -1.19 -3.79 115.64 120.08 2afp s THR 27 Ca 0.09 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 2afp s THR 27 Cb -0.15 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.73 2afp s THR 27 CO -0.24 0.00 0.37 1.87 -0.69 0.00 0.00 174.62 175.93 2afp n TRP 28 N -4.19 -0.04 0.13 4.92 -0.00 -1.26 0.12 117.44 117.12 2afp n TRP 28 Ca 0.10 0.29 -0.13 0.00 -0.00 0.00 0.00 57.50 57.77 2afp n TRP 28 Cb 0.59 -0.56 -0.06 0.00 -0.00 0.00 0.00 31.31 31.28 2afp n TRP 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2afp h ALA 29 N 0.24 -0.35 -0.20 5.87 0.00 -1.90 0.87 119.26 123.79 2afp h ALA 29 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2afp h ALA 29 Cb 0.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2afp h ALA 29 CO -0.23 -0.73 -0.34 -0.07 0.00 0.00 0.00 179.25 177.88 2afp h LEU 30 N -0.39 0.64 0.11 0.00 3.38 0.51 -2.87 115.31 116.70 2afp h LEU 30 Ca 0.01 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2afp h LEU 30 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2afp h LEU 30 CO -0.07 1.05 -0.05 0.00 0.09 0.00 0.00 178.44 179.46 2afp h ALA 31 N 0.60 -0.66 -0.89 1.53 0.00 0.10 -2.83 119.26 117.11 2afp h ALA 31 Ca 0.01 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2afp h ALA 31 Cb 0.93 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 2afp h ALA 31 CO 0.08 -0.65 0.04 1.49 0.00 0.00 0.00 179.25 180.21 2afp h GLU 32 N -0.21 0.07 0.60 0.00 4.57 0.61 0.92 114.58 121.14 2afp h GLU 32 Ca -0.01 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2afp h GLU 32 Cb 0.11 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2afp h GLU 32 CO 0.02 0.04 -0.38 1.15 -1.18 0.00 0.00 179.01 178.67 2afp h THR 33 N 0.07 0.24 -0.75 0.32 2.02 -1.59 0.86 112.91 114.08 2afp h THR 33 Ca 0.52 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.68 2afp h THR 33 Cb 1.02 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2afp h THR 33 CO -0.80 0.00 0.35 0.78 0.37 0.00 0.00 175.52 176.22 2afp h ASN 34 N -0.93 0.97 -0.67 4.18 -0.26 -0.95 -2.37 115.58 115.55 2afp h ASN 34 Ca -0.07 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.49 2afp h ASN 34 Cb 0.75 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 2afp h ASN 34 CO 0.07 0.82 0.15 0.00 -1.06 0.00 0.00 177.43 177.41 2afp h MET 36 N 1.00 0.35 -0.07 0.00 2.86 0.12 -1.38 114.93 117.82 2afp h MET 36 Ca 0.21 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2afp h MET 36 Cb 0.39 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2afp h MET 36 CO 0.01 0.23 0.05 0.87 1.06 0.00 0.00 176.91 179.12 2afp h LYS 37 N 0.36 0.00 0.09 1.72 6.56 -1.31 -2.55 116.57 121.44 2afp h LYS 37 Ca 0.11 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2afp h LYS 37 Cb -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2afp h LYS 37 CO -0.04 0.00 -0.04 1.25 -2.06 0.00 0.00 179.45 178.56 2afp h LEU 38 N 0.00 -0.10 0.00 2.94 5.85 -1.01 -3.49 115.31 119.50 2afp h LEU 38 Ca 0.03 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2afp h LEU 38 Cb 0.13 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2afp h LEU 38 CO -0.00 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 2afp n GLY 39 N 0.45 0.77 0.00 3.75 0.00 -0.61 -5.07 105.19 104.48 2afp n GLY 39 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2afp n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afp n GLY 40 N 0.00 -0.60 2.21 -0.02 0.00 -1.25 -4.85 105.19 100.69 2afp n GLY 40 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.88 2afp n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2afp n HIS 41 N 0.00 -0.01 -1.69 1.61 1.44 -1.25 -4.69 115.22 110.64 2afp n HIS 41 Ca 0.00 -0.28 -0.42 0.00 -2.01 0.00 0.00 57.72 55.01 2afp n HIS 41 Cb 0.00 0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.20 2afp n HIS 41 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2afp s LEU 42 N 0.00 4.36 1.19 2.39 1.43 -1.26 -2.52 118.68 124.26 2afp s LEU 42 Ca 0.18 2.60 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 2afp s LEU 42 Cb -0.00 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.91 2afp s LEU 42 CO -0.02 -1.11 0.50 0.00 0.23 0.00 0.00 176.35 175.95 2afp n ALA 43 N 7.81 -3.62 -3.27 4.21 0.00 0.15 -4.77 120.51 121.02 2afp n ALA 43 Ca 0.20 -1.34 -0.05 0.00 0.00 0.00 0.00 53.44 52.25 2afp n ALA 43 Cb 0.41 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2afp n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2afp n SER 44 N -3.40 -0.16 -4.11 0.00 7.64 -1.26 -4.76 113.62 107.58 2afp n SER 44 Ca 0.03 -1.47 -0.14 0.00 1.01 0.00 0.00 58.87 58.30 2afp n SER 44 Cb 0.57 0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 64.03 2afp n SER 44 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2afp s ILE 45 N -2.30 0.69 0.00 0.44 -4.36 -1.26 -4.91 121.20 109.49 2afp s ILE 45 Ca 0.09 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 2afp s ILE 45 Cb 0.00 -0.92 0.00 0.00 1.25 0.00 0.00 42.46 42.79 2afp s ILE 45 CO 0.06 -0.45 0.00 1.57 0.24 0.00 0.00 174.94 176.36 2afp n HIS 46 N 1.11 -0.81 0.78 1.37 -0.00 -1.26 -4.86 115.22 111.55 2afp n HIS 46 Ca -0.20 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.07 2afp n HIS 46 Cb 0.56 0.40 0.45 0.00 -0.12 0.00 0.00 29.99 31.28 2afp n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2afp n SER 47 N -2.30 0.00 0.00 0.26 2.88 -1.26 -4.90 113.62 108.30 2afp n SER 47 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2afp n SER 47 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2afp n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2afp n GLN 48 N -1.42 0.00 0.06 -1.46 6.02 -1.26 -4.38 117.38 114.94 2afp n GLN 48 Ca 0.06 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.25 2afp n GLN 48 Cb 0.21 0.00 0.72 0.00 1.02 0.00 0.00 30.24 32.19 2afp n GLN 48 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2afp h GLU 49 N 0.00 0.00 -0.19 -1.09 4.57 -2.01 0.94 114.58 116.80 2afp h GLU 49 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2afp h GLU 49 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2afp h GLU 49 CO 0.00 0.00 -0.19 0.93 -1.18 0.00 0.00 179.01 178.57 2afp h GLU 50 N 0.00 0.33 -0.76 1.92 4.39 -1.97 -1.53 114.58 116.97 2afp h GLU 50 Ca 0.21 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2afp h GLU 50 Cb 0.90 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 2afp h GLU 50 CO -0.00 0.51 0.46 1.25 -1.16 0.00 0.00 179.01 180.07 2afp h HIS 51 N 0.30 0.99 -0.52 4.33 2.76 0.56 0.22 115.15 123.79 2afp h HIS 51 Ca 0.05 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2afp h HIS 51 Cb 0.51 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2afp h HIS 51 CO 0.01 0.66 0.36 1.03 -1.30 0.00 0.00 177.93 178.69 2afp h SER 52 N 1.03 0.15 0.32 3.26 0.87 -0.99 -2.57 113.55 115.62 2afp h SER 52 Ca 0.27 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2afp h SER 52 Cb -0.05 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2afp h SER 52 CO -0.05 0.09 -0.50 0.15 -0.53 0.00 0.00 176.83 175.99 2afp h PHE 53 N 0.17 -1.41 -0.29 2.24 3.57 -0.62 0.60 116.94 121.20 2afp h PHE 53 Ca 0.24 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2afp h PHE 53 Cb 0.75 0.57 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2afp h PHE 53 CO -0.00 -0.61 0.16 -0.84 -2.23 0.00 0.00 178.31 174.79 2afp h ILE 54 N -0.86 1.09 0.00 1.41 3.07 -1.48 -1.05 117.51 119.69 2afp h ILE 54 Ca -0.04 -0.23 -0.12 0.00 1.55 0.00 0.00 64.86 66.03 2afp h ILE 54 Cb 0.79 0.69 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 2afp h ILE 54 CO -0.16 0.10 -0.58 1.56 -1.05 0.00 0.00 178.15 178.03 2afp h GLN 55 N 0.40 0.00 0.00 0.16 7.50 -1.05 -2.89 115.11 119.23 2afp h GLN 55 Ca 0.11 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.13 2afp h GLN 55 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 2afp h GLN 55 CO -0.02 0.58 -0.61 1.15 -1.50 0.00 0.00 178.83 178.43 2afp h THR 56 N 0.00 1.41 -0.01 -0.54 2.02 0.15 -3.24 112.91 112.70 2afp h THR 56 Ca -0.01 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.06 2afp h THR 56 Cb 1.04 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2afp h THR 56 CO 0.07 0.60 -0.02 -0.07 0.37 0.00 0.00 175.52 176.47 2afp h LEU 57 N 0.00 0.03 -1.72 2.58 3.38 -1.27 -3.50 115.31 114.80 2afp h LEU 57 Ca -0.01 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2afp h LEU 57 Cb 1.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2afp h LEU 57 CO 0.08 0.62 -0.98 0.59 0.09 0.00 0.00 178.44 178.84 2afp n ASN 58 N -4.78 -9.55 -1.29 -0.43 3.02 -1.11 -5.03 115.26 96.10 2afp n ASN 58 Ca -0.09 1.81 -0.03 0.00 -0.03 0.00 0.00 54.58 56.24 2afp n ASN 58 Cb 0.31 -5.22 -0.00 0.00 -0.61 0.00 0.00 39.78 34.26 2afp n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2afp n ALA 59 N 1.85 1.52 0.00 5.41 0.00 -1.26 -5.12 120.51 122.90 2afp n ALA 59 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2afp n ALA 59 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2afp n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afp n GLY 60 N -0.33 0.18 4.01 0.00 0.00 -1.26 -3.24 105.19 104.54 2afp n GLY 60 Ca -0.15 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.66 2afp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2afp s VAL 61 N 0.00 3.09 -0.14 1.61 1.01 -1.26 -4.37 120.40 120.34 2afp s VAL 61 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2afp s VAL 61 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.37 2afp s VAL 61 CO 0.00 -0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.29 2afp s VAL 62 N -2.34 1.31 -1.00 2.92 1.01 -1.25 -2.98 120.40 118.07 2afp s VAL 62 Ca 0.54 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2afp s VAL 62 Cb -0.10 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.02 2afp s VAL 62 CO 0.33 0.38 1.51 0.26 0.00 0.00 0.00 175.10 177.57 2afp s TRP 63 N 1.59 2.43 -0.18 5.22 0.52 -1.26 -3.81 118.94 123.45 2afp s TRP 63 Ca 0.04 -0.63 -0.04 0.00 0.02 0.00 0.00 56.10 55.49 2afp s TRP 63 Cb -0.13 -4.62 0.09 0.00 -1.15 0.00 0.00 33.47 27.66 2afp s TRP 63 CO -0.09 -1.92 0.25 0.42 0.02 0.00 0.00 176.95 175.63 2afp s ILE 64 N 5.64 -0.39 0.00 2.03 1.01 -1.26 -4.76 121.20 123.47 2afp s ILE 64 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2afp s ILE 64 Cb -0.01 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.85 2afp s ILE 64 CO -0.08 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2afp n GLY 65 N 5.34 1.40 0.00 6.18 0.00 -1.26 -4.77 105.19 112.08 2afp n GLY 65 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2afp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afp n GLY 66 N 0.00 0.31 3.59 -0.02 0.00 -1.25 -3.67 105.19 104.15 2afp n GLY 66 Ca 0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2afp n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2afp s SER 67 N -4.00 -0.29 -0.29 1.61 0.15 -1.25 -3.90 113.70 105.74 2afp s SER 67 Ca 0.00 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 2afp s SER 67 Cb 0.00 0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.73 2afp s SER 67 CO 0.00 -0.28 0.58 0.00 1.20 0.00 0.00 173.24 174.74 2afp s ALA 68 N -1.23 -2.10 0.00 5.45 0.00 -0.54 -4.47 121.76 118.86 2afp s ALA 68 Ca 0.01 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2afp s ALA 68 Cb -0.01 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2afp s ALA 68 CO -0.01 -1.27 0.89 0.00 0.00 0.00 0.00 175.76 175.36 2afp n LEU 70 N 0.00 -0.48 0.00 0.00 0.00 -1.26 -4.98 117.00 110.28 2afp n LEU 70 Ca -0.24 -2.11 -0.09 0.00 0.00 0.00 0.00 56.01 53.57 2afp n LEU 70 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 43.42 44.09 2afp n LEU 70 CO -0.12 1.26 0.27 0.00 0.00 0.00 0.00 177.39 178.80 2afp n GLN 71 N 0.00 0.70 -3.76 1.96 6.02 -1.26 -5.11 117.38 115.93 2afp n GLN 71 Ca -0.18 -1.89 -0.34 0.00 -0.01 0.00 0.00 57.00 54.58 2afp n GLN 71 Cb 0.82 2.07 -0.10 0.00 1.02 0.00 0.00 30.24 34.05 2afp n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2afp s ALA 72 N -2.13 3.72 -0.38 -1.58 0.00 -1.26 -4.79 121.76 115.34 2afp s ALA 72 Ca 0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 51.96 48.65 2afp s ALA 72 Cb -0.02 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2afp s ALA 72 CO 0.12 -2.11 0.36 0.41 0.00 0.00 0.00 175.76 174.54 2afp n GLY 73 N 2.97 -0.75 2.79 0.00 0.00 -1.26 -5.06 105.19 103.88 2afp n GLY 73 Ca 0.12 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 2afp n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afp s ALA 74 N -3.01 -0.57 -0.15 4.61 0.00 -1.26 -5.13 121.76 116.24 2afp s ALA 74 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2afp s ALA 74 Cb -0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2afp s ALA 74 CO 0.38 -1.89 -0.05 -1.58 0.00 0.00 0.00 175.76 172.63 2afp s TRP 75 N 2.03 3.00 0.27 0.00 0.52 -1.26 -4.75 118.94 118.76 2afp s TRP 75 Ca 0.12 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.94 2afp s TRP 75 Cb -0.14 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2afp s TRP 75 CO -0.21 -0.07 0.27 0.25 0.02 0.00 0.00 176.95 177.22 2afp n THR 76 N 3.57 0.00 -0.31 2.01 -2.24 -1.26 -4.38 114.28 111.67 2afp n THR 76 Ca -0.17 -1.83 -0.06 0.00 -2.27 0.00 0.00 64.05 59.72 2afp n THR 76 Cb 0.52 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 69.77 2afp n THR 76 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2afp n TRP 77 N -0.50 -2.74 -0.35 4.78 5.03 0.14 -3.77 117.44 120.03 2afp n TRP 77 Ca 0.05 -0.18 0.09 0.00 3.03 0.00 0.00 57.50 60.49 2afp n TRP 77 Cb 0.49 -0.24 0.28 0.00 -1.03 0.00 0.00 31.31 30.80 2afp n TRP 77 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 2afp h SER 78 N -1.88 0.86 -0.02 -0.99 0.02 -1.87 -3.34 113.55 106.33 2afp h SER 78 Ca -0.08 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 2afp h SER 78 Cb 0.26 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 62.53 2afp h SER 78 CO 0.05 0.42 -0.35 -0.67 -1.14 0.00 0.00 176.83 175.14 2afp n ASP 79 N -4.65 -1.03 0.00 3.07 2.03 -1.26 -4.78 116.55 109.93 2afp n ASP 79 Ca 0.20 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.40 2afp n ASP 79 Cb 0.43 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 2afp n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2afp n GLY 80 N -0.77 4.26 3.93 0.27 0.00 -1.25 -5.18 105.19 106.44 2afp n GLY 80 Ca -0.20 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 2afp n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2afp s THR 81 N 3.06 1.94 0.93 2.61 -4.23 -1.26 -4.04 115.64 114.65 2afp s THR 81 Ca 0.00 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2afp s THR 81 Cb 0.00 -2.30 0.18 0.00 1.34 0.00 0.00 72.50 71.72 2afp s THR 81 CO 0.00 0.00 1.29 -2.16 -0.54 0.00 0.00 174.62 173.21 2afp s PRO 82 N -4.33 0.87 0.00 3.99 0.04 -1.26 0.28 135.00 134.58 2afp s PRO 82 Ca 0.43 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2afp s PRO 82 Cb -0.03 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2afp s PRO 82 CO 0.26 -2.27 0.00 -0.12 0.04 0.00 0.00 177.00 174.91 2afp n MET 83 N -3.68 3.85 -2.12 4.56 1.56 -1.26 -4.82 117.12 115.21 2afp n MET 83 Ca 0.14 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.53 2afp n MET 83 Cb 0.60 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.96 2afp n MET 83 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 2afp n ASN 84 N 0.00 -0.46 -2.22 6.12 2.04 -1.26 -5.10 115.26 114.37 2afp n ASN 84 Ca 0.00 -1.51 -0.00 0.00 -0.44 0.00 0.00 54.58 52.63 2afp n ASN 84 Cb 0.00 0.82 -0.00 0.00 -2.53 0.00 0.00 39.78 38.07 2afp n ASN 84 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2afp n PHE 85 N -0.16 -4.34 0.00 -2.53 7.35 -1.26 -5.06 117.46 111.46 2afp n PHE 85 Ca -0.01 2.58 0.00 0.00 -0.76 0.00 0.00 57.45 59.26 2afp n PHE 85 Cb 0.17 -3.67 0.00 0.00 0.35 0.00 0.00 39.48 36.33 2afp n PHE 85 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2afp n ARG 86 N 1.64 0.00 -0.95 -4.13 1.85 -1.26 -5.04 116.66 108.77 2afp n ARG 86 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.81 2afp n ARG 86 Cb 0.03 0.00 0.16 0.00 -1.05 0.00 0.00 32.46 31.60 2afp n ARG 86 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2afp n SER 87 N 0.00 2.56 0.24 2.89 7.64 -1.26 -4.78 113.62 120.91 2afp n SER 87 Ca 0.00 -3.86 -0.13 0.00 1.01 0.00 0.00 58.87 55.88 2afp n SER 87 Cb 0.00 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 2afp n SER 87 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2afp h TRP 88 N 1.28 -0.59 -2.96 1.43 4.06 -2.03 -3.48 115.95 113.66 2afp h TRP 88 Ca 0.11 -0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2afp h TRP 88 Cb 1.18 0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 2afp h TRP 88 CO 0.81 -0.26 0.00 0.00 -3.56 0.00 0.00 178.44 175.43 2afp n SER 90 N -1.64 -2.62 -4.73 0.00 2.88 -1.26 -4.93 113.62 101.32 2afp n SER 90 Ca -0.02 -0.35 -0.34 0.00 -1.33 0.00 0.00 58.87 56.83 2afp n SER 90 Cb 0.34 -1.07 0.09 0.00 -0.75 0.00 0.00 64.21 62.82 2afp n SER 90 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2afp s THR 91 N -2.26 2.46 0.57 2.46 -4.23 -1.26 -4.95 115.64 108.42 2afp s THR 91 Ca 0.62 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 61.14 2afp s THR 91 Cb -0.17 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 2afp s THR 91 CO 0.61 -0.13 1.31 -1.59 -0.54 0.00 0.00 174.62 174.28 2afp s LYS 92 N -3.99 3.03 0.22 3.99 -2.85 -1.26 -4.98 119.74 113.90 2afp s LYS 92 Ca 0.73 2.11 -0.25 0.00 -1.00 0.00 0.00 55.97 57.56 2afp s LYS 92 Cb -0.27 -2.13 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 2afp s LYS 92 CO 0.45 -1.23 0.81 -1.25 0.10 0.00 0.00 175.35 174.23 2afp s PRO 93 N -3.05 4.53 0.42 1.78 0.04 -1.26 -4.91 135.00 132.55 2afp s PRO 93 Ca 0.74 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2afp s PRO 93 Cb -0.38 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2afp s PRO 93 CO 0.43 0.47 0.00 -0.25 0.04 0.00 0.00 177.00 177.69 2afp n ASP 94 N 1.19 -8.79 -1.59 6.66 9.92 -1.26 -4.94 116.55 117.75 2afp n ASP 94 Ca -0.03 0.81 -0.01 0.00 -0.53 0.00 0.00 54.79 55.04 2afp n ASP 94 Cb 0.49 -4.60 0.02 0.00 -0.64 0.00 0.00 41.12 36.39 2afp n ASP 94 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2afp n ASP 95 N -4.32 -0.33 -2.40 -2.24 2.03 -1.26 -5.06 116.55 102.96 2afp n ASP 95 Ca -0.01 -1.15 -0.03 0.00 0.52 0.00 0.00 54.79 54.11 2afp n ASP 95 Cb 0.68 0.15 0.01 0.00 -0.72 0.00 0.00 41.12 41.23 2afp n ASP 95 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2afp n VAL 96 N -0.31 0.00 0.32 5.18 0.24 -1.26 -4.87 118.33 117.63 2afp n VAL 96 Ca -0.05 -0.27 0.19 0.00 -2.04 0.00 0.00 64.34 62.17 2afp n VAL 96 Cb 0.55 -0.89 1.00 0.00 -1.47 0.00 0.00 33.84 33.03 2afp n VAL 96 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2afp h LEU 97 N 0.00 0.00 -1.76 1.34 3.38 -1.93 -2.02 115.31 114.32 2afp h LEU 97 Ca -0.04 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2afp h LEU 97 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2afp h LEU 97 CO 0.06 0.00 0.60 0.00 0.09 0.00 0.00 178.44 179.19 2afp h ALA 98 N 1.67 2.22 -3.46 1.53 0.00 -1.98 -3.37 119.26 115.86 2afp h ALA 98 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2afp h ALA 98 Cb 0.36 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.84 2afp h ALA 98 CO -0.00 -0.86 -0.75 0.00 0.00 0.00 0.00 179.25 177.64 2afp s ALA 99 N -4.52 0.39 -0.01 0.00 0.00 -0.76 -4.26 121.76 112.60 2afp s ALA 99 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2afp s ALA 99 Cb 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2afp s ALA 99 CO 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 175.76 176.14 2afp n MET 102 N 5.02 -0.68 -3.61 0.00 0.00 -1.25 -1.43 117.12 115.15 2afp n MET 102 Ca -0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 57.70 57.30 2afp n MET 102 Cb 0.46 -1.86 -0.07 0.00 0.00 0.00 0.00 33.22 31.76 2afp n MET 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2afp s GLN 103 N -3.67 0.67 -0.51 3.17 0.74 -1.24 -4.47 119.66 114.35 2afp s GLN 103 Ca 0.58 0.60 0.03 0.00 0.05 0.00 0.00 55.36 56.62 2afp s GLN 103 Cb -0.19 0.32 0.14 0.00 1.10 0.00 0.00 33.01 34.38 2afp s GLN 103 CO 0.67 -0.12 0.27 -1.64 -0.55 0.00 0.00 175.29 173.92 2afp s MET 104 N -0.09 1.78 1.02 1.67 -1.94 -1.25 -0.77 119.30 119.72 2afp s MET 104 Ca 0.00 -2.48 -0.21 0.00 -1.71 0.00 0.00 55.69 51.29 2afp s MET 104 Cb -0.04 -2.99 -0.07 0.00 2.01 0.00 0.00 34.83 33.74 2afp s MET 104 CO -0.01 -1.14 -0.69 0.25 -0.01 0.00 0.00 175.02 173.41 2afp n THR 105 N 3.15 0.00 -2.89 2.05 -2.24 -1.25 -3.91 114.28 109.18 2afp n THR 105 Ca 0.08 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 2afp n THR 105 Cb 0.33 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 2afp n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2afp n ALA 106 N -3.51 3.35 0.68 6.98 0.00 -1.26 -4.60 120.51 122.15 2afp n ALA 106 Ca -0.00 -3.71 0.10 0.00 0.00 0.00 0.00 53.44 49.83 2afp n ALA 106 Cb 0.64 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 19.12 2afp n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp n ALA 107 N -0.03 4.15 0.00 0.00 0.00 -1.26 -4.94 120.51 118.43 2afp n ALA 107 Ca 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2afp n ALA 107 Cb 0.65 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2afp n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp n ALA 108 N -1.74 0.00 0.01 0.00 0.00 -1.26 -4.52 120.51 113.00 2afp n ALA 108 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2afp n ALA 108 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2afp n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2afp n ASP 109 N 0.50 0.73 -0.14 0.00 8.00 -1.26 -4.62 116.55 119.76 2afp n ASP 109 Ca 0.00 -0.87 -0.12 0.00 0.71 0.00 0.00 54.79 54.52 2afp n ASP 109 Cb 0.00 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 2afp n ASP 109 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2afp h GLN 110 N 0.03 0.88 -2.57 -1.24 4.15 -1.91 -3.49 115.11 110.96 2afp h GLN 110 Ca 0.00 -0.37 0.27 0.00 0.77 0.00 0.00 58.65 59.32 2afp h GLN 110 Cb 0.01 -0.03 -0.12 0.00 0.21 0.00 0.00 27.48 27.55 2afp h GLN 110 CO 0.00 1.02 -0.77 0.00 -1.93 0.00 0.00 178.83 177.15 2afp s TRP 112 N -3.28 2.26 -0.30 0.00 0.23 -1.26 -3.76 118.94 112.83 2afp s TRP 112 Ca 0.00 1.44 -0.16 0.00 -2.03 0.00 0.00 56.10 55.35 2afp s TRP 112 Cb 0.00 -3.70 0.18 0.00 0.03 0.00 0.00 33.47 29.98 2afp s TRP 112 CO 0.00 -2.74 1.08 -0.51 0.96 0.00 0.00 176.95 175.74 2afp s ASP 113 N -1.22 -0.42 1.02 2.95 1.01 0.05 -4.84 116.67 115.22 2afp s ASP 113 Ca 0.76 0.53 -0.16 0.00 0.71 0.00 0.00 52.55 54.39 2afp s ASP 113 Cb -0.37 1.46 0.03 0.00 1.01 0.00 0.00 42.92 45.04 2afp s ASP 113 CO 0.42 -0.08 0.01 0.47 0.21 0.00 0.00 175.17 176.20 2afp n ASP 114 N 4.93 -2.65 -4.13 0.27 9.92 -1.22 -3.63 116.55 120.04 2afp n ASP 114 Ca -0.08 0.13 -0.10 0.00 -0.53 0.00 0.00 54.79 54.20 2afp n ASP 114 Cb 0.54 -1.02 -0.09 0.00 -0.64 0.00 0.00 41.12 39.90 2afp n ASP 114 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2afp s LEU 115 N 0.35 1.33 0.00 0.64 1.02 -0.52 -4.65 118.68 116.85 2afp s LEU 115 Ca 0.53 -1.21 0.30 0.00 0.02 0.00 0.00 54.13 53.78 2afp s LEU 115 Cb -0.15 0.56 1.55 0.00 0.02 0.00 0.00 46.19 48.16 2afp s LEU 115 CO 0.68 -0.82 2.04 -0.81 0.02 0.00 0.00 176.35 177.46 2afp n PRO 116 N -0.20 0.85 0.00 1.29 -0.04 -1.26 -2.01 135.00 133.63 2afp n PRO 116 Ca -0.03 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2afp n PRO 116 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2afp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2afp s PRO 118 N 0.00 3.43 -0.35 0.00 0.04 -1.26 -4.70 135.00 132.16 2afp s PRO 118 Ca 0.00 0.10 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 2afp s PRO 118 Cb 0.00 -4.06 0.26 0.00 0.04 0.00 0.00 34.50 30.74 2afp s PRO 118 CO 0.00 -1.78 1.18 0.00 0.04 0.00 0.00 177.00 176.44 2afp n ALA 119 N 8.60 -3.43 -1.51 8.56 0.00 -1.26 -5.09 120.51 126.38 2afp n ALA 119 Ca 0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 2afp n ALA 119 Cb 0.49 -3.07 -0.15 0.00 0.00 0.00 0.00 19.45 16.71 2afp n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2afp n SER 120 N 1.76 0.13 -4.47 0.00 2.88 -1.26 -4.55 113.62 108.12 2afp n SER 120 Ca 0.04 -0.30 -0.26 0.00 -1.33 0.00 0.00 58.87 57.02 2afp n SER 120 Cb 0.69 -0.95 -0.11 0.00 -0.75 0.00 0.00 64.21 63.09 2afp n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2afp s HIS 121 N 7.10 2.38 1.02 0.66 3.76 -1.26 -4.24 115.29 124.71 2afp s HIS 121 Ca 1.26 -0.32 -0.19 0.00 -0.15 0.00 0.00 55.06 55.65 2afp s HIS 121 Cb -0.88 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2afp s HIS 121 CO 0.45 0.54 -0.49 0.36 -0.85 0.00 0.00 174.74 174.75 2afp n LYS 122 N 0.04 -0.51 -4.80 1.40 2.85 -1.16 -1.38 118.16 114.61 2afp n LYS 122 Ca -0.11 -0.13 -0.33 0.00 -1.05 0.00 0.00 58.31 56.69 2afp n LYS 122 Cb 0.57 -1.39 -0.13 0.00 -0.65 0.00 0.00 35.03 33.43 2afp n LYS 122 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2afp s SER 123 N -1.47 4.21 -0.30 -5.58 1.04 -1.26 -4.50 113.70 105.84 2afp s SER 123 Ca 0.47 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2afp s SER 123 Cb -0.10 -1.02 0.09 0.00 0.10 0.00 0.00 66.02 65.10 2afp s SER 123 CO 0.70 0.33 0.07 -0.69 0.98 0.00 0.00 173.24 174.64 2afp s VAL 124 N -0.64 1.22 0.09 5.02 1.01 -1.26 -2.52 120.40 123.32 2afp s VAL 124 Ca 0.09 -1.54 0.10 0.00 0.00 0.00 0.00 61.98 60.63 2afp s VAL 124 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2afp s VAL 124 CO 0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 175.10 174.28 2afp s ALA 126 N -0.96 2.42 0.01 0.00 0.00 0.57 0.11 121.76 123.91 2afp s ALA 126 Ca 0.14 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 2afp s ALA 126 Cb -0.10 0.99 0.11 0.00 0.00 0.00 0.00 23.12 24.12 2afp s ALA 126 CO 0.05 -0.44 1.24 0.00 0.00 0.00 0.00 175.76 176.61 2afp s MET 127 N -3.72 0.52 0.36 0.00 0.23 0.19 -3.74 119.30 113.15 2afp s MET 127 Ca 0.31 -0.29 -0.01 0.00 -1.03 0.00 0.00 55.69 54.67 2afp s MET 127 Cb 0.04 0.17 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 2afp s MET 127 CO 0.17 -0.24 0.49 0.99 -2.03 0.00 0.00 175.02 174.41 2afp s THR 128 N -2.51 0.00 0.00 3.16 2.01 -1.26 -2.25 115.64 114.79 2afp s THR 128 Ca 0.15 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.54 2afp s THR 128 Cb 0.04 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2afp s THR 128 CO -0.03 0.00 0.00 2.22 -0.69 0.00 0.00 174.62 176.12