#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afp s ARG 2 N 0.00 0.59 -0.38 2.61 0.52 -1.26 -5.13 118.95 115.91 2afp s ARG 2 Ca 0.00 -1.16 0.06 0.00 -0.52 0.00 0.00 55.73 54.11 2afp s ARG 2 Cb 0.00 0.17 0.18 0.00 0.52 0.00 0.00 34.95 35.82 2afp s ARG 2 CO 0.00 -0.10 0.55 0.00 0.02 0.00 0.00 175.30 175.77 2afp s ALA 3 N -3.62 -1.83 0.76 2.13 0.00 -1.26 -5.16 121.76 112.78 2afp s ALA 3 Ca 0.05 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 2afp s ALA 3 Cb 0.06 -2.51 0.05 0.00 0.00 0.00 0.00 23.12 20.72 2afp s ALA 3 CO -0.09 -2.12 1.09 0.20 0.00 0.00 0.00 175.76 174.85 2afp s GLY 4 N 1.91 1.63 0.00 0.00 0.00 -1.26 -5.08 107.32 104.52 2afp s GLY 4 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.64 2afp s GLY 4 CO -0.10 0.17 0.00 -1.55 0.00 0.00 0.00 173.10 171.62 2afp n PRO 5 N -3.28 0.50 -1.72 2.90 -0.04 -1.26 -4.97 135.00 127.14 2afp n PRO 5 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2afp n PRO 5 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2afp n PRO 5 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2afp n ASN 6 N -1.93 -8.21 -4.76 3.54 5.15 -1.26 -4.90 115.26 102.89 2afp n ASN 6 Ca 0.00 1.17 -0.38 0.00 -0.60 0.00 0.00 54.58 54.78 2afp n ASN 6 Cb 0.00 -4.35 0.02 0.00 -0.53 0.00 0.00 39.78 34.92 2afp n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2afp h PRO 8 N 1.71 0.00 0.00 0.00 0.13 -1.98 -3.49 132.00 128.37 2afp h PRO 8 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2afp h PRO 8 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2afp h PRO 8 CO 0.59 0.42 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 2afp n ALA 9 N -2.96 0.00 -1.35 -0.56 0.00 -1.26 -5.01 120.51 109.36 2afp n ALA 9 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2afp n ALA 9 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 2afp n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afp n GLY 10 N -1.02 3.40 0.00 0.00 0.00 -1.26 -4.79 105.19 101.52 2afp n GLY 10 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 6.56 -0.18 -3.19 1.61 7.02 -1.26 -5.10 117.44 122.90 2afp n TRP 11 Ca 0.51 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.77 2afp n TRP 11 Cb 0.37 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.21 2afp n TRP 11 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2afp n GLN 12 N 0.00 1.35 -2.66 -0.99 6.02 -1.10 -5.05 117.38 114.95 2afp n GLN 12 Ca 0.00 -3.67 -0.42 0.00 -0.01 0.00 0.00 57.00 52.90 2afp n GLN 12 Cb 0.00 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.58 2afp n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2afp s PRO 13 N -2.08 4.54 0.02 -1.09 0.04 -1.26 -2.43 135.00 132.74 2afp s PRO 13 Ca 0.39 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 2afp s PRO 13 Cb 0.25 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 2afp s PRO 13 CO -0.09 -0.09 1.10 1.25 0.04 0.00 0.00 177.00 179.21 2afp h LEU 14 N 6.81 -0.37 0.00 -3.56 6.46 -1.90 -3.47 115.31 119.28 2afp h LEU 14 Ca -0.41 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2afp h LEU 14 Cb 1.22 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 2afp h LEU 14 CO 0.76 -0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.94 2afp n GLY 15 N -0.98 -0.27 1.74 3.75 0.00 -1.26 -4.96 105.19 103.21 2afp n GLY 15 Ca -0.05 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2afp n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2afp n ASP 16 N -2.32 1.42 -0.54 1.61 5.68 -1.26 -5.08 116.55 116.05 2afp n ASP 16 Ca 0.00 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 2afp n ASP 16 Cb 0.00 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 2afp n ASP 16 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2afp n ARG 17 N -0.02 0.00 -3.74 0.11 1.74 -1.26 -4.97 116.66 108.52 2afp n ARG 17 Ca 0.10 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 2afp n ARG 17 Cb 1.00 0.00 -0.18 0.00 -1.02 0.00 0.00 32.46 32.27 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 1.99 0.16 0.28 0.00 2.07 -1.02 0.14 121.20 124.82 2afp s ILE 19 Ca 0.04 -1.77 0.02 0.00 -1.41 0.00 0.00 60.65 57.53 2afp s ILE 19 Cb -0.12 -1.72 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 2afp s ILE 19 CO -0.04 -0.73 0.15 -0.31 -1.91 0.00 0.00 174.94 172.10 2afp s TYR 20 N -3.97 1.52 -0.02 3.50 2.02 0.33 -2.72 117.35 118.02 2afp s TYR 20 Ca 0.14 -1.36 -0.29 0.00 -0.37 0.00 0.00 57.07 55.20 2afp s TYR 20 Cb 0.07 -0.81 0.10 0.00 -0.40 0.00 0.00 41.96 40.93 2afp s TYR 20 CO -0.05 -0.53 0.87 -0.47 -1.57 0.00 0.00 175.55 173.80 2afp s TYR 21 N -3.72 -0.38 0.32 2.71 6.14 -1.26 -3.28 117.35 117.87 2afp s TYR 21 Ca 0.37 0.33 0.06 0.00 0.64 0.00 0.00 57.07 58.47 2afp s TYR 21 Cb 0.06 0.52 -0.03 0.00 0.42 0.00 0.00 41.96 42.93 2afp s TYR 21 CO 0.16 -0.55 0.25 -1.21 0.64 0.00 0.00 175.55 174.85 2afp s GLU 22 N -2.78 1.68 -0.00 4.97 2.02 -1.20 -5.02 118.70 118.37 2afp s GLU 22 Ca 0.03 -1.97 0.22 0.00 0.02 0.00 0.00 54.97 53.27 2afp s GLU 22 Cb -0.01 0.25 0.37 0.00 0.10 0.00 0.00 34.13 34.85 2afp s GLU 22 CO -0.07 -0.60 1.15 0.25 0.02 0.00 0.00 175.26 176.01 2afp n THR 23 N -0.59 0.00 -5.02 3.63 -2.24 -1.26 -4.57 114.28 104.23 2afp n THR 23 Ca 0.06 -0.87 -0.32 0.00 -2.27 0.00 0.00 64.05 60.65 2afp n THR 23 Cb 0.63 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.64 2afp n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2afp s THR 24 N -0.01 2.62 -0.53 4.28 2.01 -1.26 -4.95 115.64 117.80 2afp s THR 24 Ca 0.29 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 2afp s THR 24 Cb 0.34 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.75 2afp s THR 24 CO -0.15 0.56 2.40 0.00 -0.69 0.00 0.00 174.62 176.75 2afp s ALA 25 N -0.18 1.51 -0.26 7.40 0.00 -1.26 -3.24 121.76 125.74 2afp s ALA 25 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 2afp s ALA 25 Cb -0.14 -4.38 0.10 0.00 0.00 0.00 0.00 23.12 18.71 2afp s ALA 25 CO 0.03 -4.66 0.18 0.00 0.00 0.00 0.00 175.76 171.32 2afp s MET 26 N 8.34 0.20 1.05 0.00 0.00 -1.26 -4.75 119.30 122.88 2afp s MET 26 Ca 0.96 -0.23 -0.15 0.00 0.00 0.00 0.00 55.69 56.27 2afp s MET 26 Cb -0.16 -1.15 0.21 0.00 0.00 0.00 0.00 34.83 33.73 2afp s MET 26 CO 0.24 -0.90 1.14 0.99 0.00 0.00 0.00 175.02 176.48 2afp s THR 27 N 2.21 1.86 0.06 3.16 2.01 -1.26 -3.89 115.64 119.78 2afp s THR 27 Ca 0.08 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 2afp s THR 27 Cb -0.15 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.77 2afp s THR 27 CO -0.27 0.00 0.44 1.87 -0.69 0.00 0.00 174.62 175.97 2afp n TRP 28 N -4.25 -0.05 -0.18 4.92 -0.00 -1.26 0.13 117.44 116.75 2afp n TRP 28 Ca 0.09 0.35 -0.01 0.00 -0.00 0.00 0.00 57.50 57.94 2afp n TRP 28 Cb 0.59 -0.57 0.09 0.00 -0.00 0.00 0.00 31.31 31.42 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 0.27 0.61 0.10 5.87 0.00 -1.90 0.61 119.26 124.82 2afp h ALA 29 Ca 0.07 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 2afp h ALA 29 Cb 0.14 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2afp h ALA 29 CO -0.27 -0.33 -1.45 -0.07 0.00 0.00 0.00 179.25 177.13 2afp h LEU 30 N 0.21 0.32 0.00 0.00 3.38 0.84 -3.18 115.31 116.89 2afp h LEU 30 Ca 0.28 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2afp h LEU 30 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2afp h LEU 30 CO -0.39 1.35 0.00 0.00 0.09 0.00 0.00 178.44 179.49 2afp n ALA 31 N -2.61 -0.25 -0.19 1.53 0.00 0.34 -2.00 120.51 117.33 2afp n ALA 31 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 2afp n ALA 31 Cb 1.03 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.57 2afp n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2afp h GLU 32 N 0.00 0.20 0.24 0.00 4.22 0.00 0.55 114.58 119.78 2afp h GLU 32 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 2afp h GLU 32 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2afp h GLU 32 CO 0.00 0.13 -0.20 1.15 -2.18 0.00 0.00 179.01 177.91 2afp h THR 33 N 0.20 0.58 -0.50 0.32 2.02 -1.59 0.17 112.91 114.11 2afp h THR 33 Ca 0.30 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 2afp h THR 33 Cb 0.45 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2afp h THR 33 CO -0.42 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.44 2afp h ASN 34 N -0.45 0.66 -0.12 4.18 2.35 -0.90 -1.82 115.58 119.47 2afp h ASN 34 Ca -0.01 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2afp h ASN 34 Cb 0.40 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2afp h ASN 34 CO -0.02 0.60 -0.09 0.00 -1.65 0.00 0.00 177.43 176.27 2afp h MET 36 N 0.41 0.77 -0.20 0.00 -1.53 0.22 -0.69 114.93 113.91 2afp h MET 36 Ca 0.08 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.27 2afp h MET 36 Cb 0.41 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 2afp h MET 36 CO 0.02 0.51 -0.00 0.87 0.14 0.00 0.00 176.91 178.44 2afp h LYS 37 N 0.79 0.28 -0.02 0.39 1.79 -1.40 -2.78 116.57 115.62 2afp h LYS 37 Ca 0.23 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 2afp h LYS 37 Cb -0.03 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2afp h LYS 37 CO -0.06 0.31 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.29 2afp h LEU 38 N 0.28 0.27 0.00 2.94 3.38 -1.19 -3.49 115.31 117.51 2afp h LEU 38 Ca 0.07 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2afp h LEU 38 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2afp h LEU 38 CO 0.00 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2afp n GLY 39 N 0.90 4.19 0.00 0.83 0.00 -0.73 -5.10 105.19 105.29 2afp n GLY 39 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.06 1.83 -0.02 0.00 -1.25 -4.91 105.19 99.78 2afp n GLY 40 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.03 -1.60 1.61 1.44 -1.21 -4.49 115.22 110.93 2afp n HIS 41 Ca 0.00 -0.24 -0.44 0.00 -2.01 0.00 0.00 57.72 55.03 2afp n HIS 41 Cb 0.00 0.10 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 2afp n HIS 41 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2afp n LEU 42 N 0.00 3.37 -4.50 2.39 4.77 -1.25 -2.07 117.00 119.70 2afp n LEU 42 Ca 0.03 0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 56.18 2afp n LEU 42 Cb 0.26 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.08 2afp n LEU 42 CO 0.06 -0.42 0.45 0.00 -1.33 0.00 0.00 177.39 176.15 2afp n ALA 43 N 10.00 -2.47 0.00 -1.18 0.00 0.56 -4.89 120.51 122.53 2afp n ALA 43 Ca 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2afp n ALA 43 Cb 0.40 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2afp n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2afp n SER 44 N -4.41 0.20 -1.22 0.00 2.88 -1.26 -4.88 113.62 104.92 2afp n SER 44 Ca 0.05 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.74 2afp n SER 44 Cb 0.54 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 2afp n SER 44 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2afp n ILE 45 N -2.40 -0.60 -0.01 2.46 5.41 -1.26 -4.92 119.36 118.05 2afp n ILE 45 Ca 0.00 0.71 -0.01 0.00 1.00 0.00 0.00 62.75 64.45 2afp n ILE 45 Cb 0.11 -1.12 -0.01 0.00 -0.71 0.00 0.00 39.64 37.91 2afp n ILE 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2afp n HIS 46 N -4.00 0.00 -1.13 1.39 8.25 -1.26 -5.06 115.22 113.42 2afp n HIS 46 Ca -0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 2afp n HIS 46 Cb 0.58 -0.07 0.18 0.00 1.12 0.00 0.00 29.99 31.80 2afp n HIS 46 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2afp n SER 47 N -2.36 -1.31 -0.05 0.41 7.64 -1.26 -5.03 113.62 111.66 2afp n SER 47 Ca -0.03 -1.10 -0.06 0.00 1.01 0.00 0.00 58.87 58.68 2afp n SER 47 Cb 0.54 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 2afp n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2afp n GLN 48 N -3.79 0.43 0.05 1.43 6.02 -1.26 -4.34 117.38 115.92 2afp n GLN 48 Ca 0.12 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.20 2afp n GLN 48 Cb 0.44 -1.19 0.43 0.00 1.02 0.00 0.00 30.24 30.94 2afp n GLN 48 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2afp h GLU 49 N 0.00 0.42 -0.13 -1.09 5.08 -1.99 0.16 114.58 117.03 2afp h GLU 49 Ca -0.21 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2afp h GLU 49 Cb 1.34 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2afp h GLU 49 CO -0.03 0.34 -0.26 0.93 -1.00 0.00 0.00 179.01 178.98 2afp h GLU 50 N 0.43 0.24 -0.45 2.33 5.08 -1.99 -1.27 114.58 118.96 2afp h GLU 50 Ca 0.11 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2afp h GLU 50 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2afp h GLU 50 CO -0.02 0.49 0.11 1.25 -1.00 0.00 0.00 179.01 179.85 2afp h HIS 51 N 0.22 0.75 -0.74 4.33 2.76 -0.92 -1.61 115.15 119.94 2afp h HIS 51 Ca 0.03 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 58.20 2afp h HIS 51 Cb 0.59 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 2afp h HIS 51 CO 0.01 0.69 0.48 1.03 -1.30 0.00 0.00 177.93 178.84 2afp h SER 52 N 0.59 0.62 -0.62 3.26 0.87 -0.47 -2.00 113.55 115.80 2afp h SER 52 Ca 0.14 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2afp h SER 52 Cb 0.32 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2afp h SER 52 CO 0.00 0.39 0.31 0.15 -0.53 0.00 0.00 176.83 177.14 2afp h PHE 53 N 0.70 0.89 0.00 2.24 3.57 -0.30 0.89 116.94 124.93 2afp h PHE 53 Ca 0.33 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2afp h PHE 53 Cb 0.37 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2afp h PHE 53 CO -0.00 0.67 0.00 0.44 -2.23 0.00 0.00 178.31 177.19 2afp n ILE 54 N -4.51 0.62 -0.00 1.41 -5.35 -0.76 -3.11 119.36 107.65 2afp n ILE 54 Ca 0.04 0.15 -0.00 0.00 -0.27 0.00 0.00 62.75 62.67 2afp n ILE 54 Cb 0.12 -0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 37.20 2afp n ILE 54 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2afp n GLN 55 N -1.55 1.43 0.00 6.28 0.00 -1.03 -4.44 117.38 118.07 2afp n GLN 55 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.16 2afp n GLN 55 Cb 0.24 -1.00 0.60 0.00 0.00 0.00 0.00 30.24 30.07 2afp n GLN 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2afp n THR 56 N -2.33 0.21 0.00 1.69 -1.04 0.30 -4.38 114.28 108.74 2afp n THR 56 Ca -0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2afp n THR 56 Cb 0.51 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2afp n THR 56 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2afp n LEU 57 N -1.20 0.00 0.00 -4.42 4.32 -1.18 -5.02 117.00 109.51 2afp n LEU 57 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2afp n LEU 57 Cb 0.15 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 2afp n LEU 57 CO 0.16 -0.21 0.00 0.59 -1.22 0.00 0.00 177.39 176.71 2afp n ASN 58 N -1.71 0.00 0.00 -1.43 3.02 -1.26 -5.09 115.26 108.79 2afp n ASN 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2afp n ASN 58 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.00 0.00 -0.64 5.41 0.00 -1.26 -5.04 120.51 115.98 2afp n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2afp n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.35 4.00 0.00 0.00 -1.26 -4.84 105.19 102.73 2afp n GLY 60 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 3.35 -0.31 1.61 1.01 -0.89 -4.38 120.40 120.79 2afp s VAL 61 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2afp s VAL 61 Cb 0.00 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.33 2afp s VAL 61 CO 0.00 -0.06 0.06 -0.69 0.00 0.00 0.00 175.10 174.41 2afp s VAL 62 N -2.33 1.53 0.17 2.92 1.01 -1.23 -4.32 120.40 118.15 2afp s VAL 62 Ca 0.52 -1.76 -0.32 0.00 0.00 0.00 0.00 61.98 60.42 2afp s VAL 62 Cb -0.10 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 2afp s VAL 62 CO 0.33 -0.57 1.78 0.79 0.00 0.00 0.00 175.10 177.43 2afp n TRP 63 N 4.58 2.70 -2.80 5.22 7.02 -1.26 -3.66 117.44 129.24 2afp n TRP 63 Ca -0.01 -0.05 -0.10 0.00 -1.02 0.00 0.00 57.50 56.32 2afp n TRP 63 Cb 0.42 -2.70 0.06 0.00 -2.42 0.00 0.00 31.31 26.67 2afp n TRP 63 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2afp n ILE 64 N 4.31 -0.05 -4.09 -0.99 0.13 -1.24 -4.77 119.36 112.66 2afp n ILE 64 Ca 0.17 -1.93 -0.10 0.00 -1.10 0.00 0.00 62.75 59.79 2afp n ILE 64 Cb 0.36 1.15 -0.08 0.00 -0.84 0.00 0.00 39.64 40.23 2afp n ILE 64 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2afp s GLY 65 N -1.50 0.93 0.00 4.50 0.00 -1.18 -4.55 107.32 105.52 2afp s GLY 65 Ca 0.27 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2afp s GLY 65 CO -0.12 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.49 2afp n GLY 66 N -0.24 0.44 2.96 0.20 0.00 -1.10 -4.00 105.19 103.44 2afp n GLY 66 Ca -0.03 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.10 0.23 -0.46 1.61 0.15 -1.25 -4.50 113.70 108.39 2afp s SER 67 Ca 0.00 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.18 2afp s SER 67 Cb 0.00 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.93 2afp s SER 67 CO 0.00 -0.21 0.61 0.00 1.20 0.00 0.00 173.24 174.84 2afp s ALA 68 N 1.91 -1.57 -0.14 5.45 0.00 -0.85 -4.60 121.76 121.96 2afp s ALA 68 Ca -0.02 -0.55 0.16 0.00 0.00 0.00 0.00 51.96 51.55 2afp s ALA 68 Cb -0.12 -2.51 -0.22 0.00 0.00 0.00 0.00 23.12 20.27 2afp s ALA 68 CO -0.07 -2.19 0.12 0.00 0.00 0.00 0.00 175.76 173.61 2afp n LEU 70 N -2.55 2.97 -3.78 0.00 4.32 -1.26 -4.64 117.00 112.07 2afp n LEU 70 Ca -0.24 -3.69 -0.28 0.00 -0.02 0.00 0.00 56.01 51.78 2afp n LEU 70 Cb 0.96 -0.09 -0.16 0.00 -1.62 0.00 0.00 43.42 42.51 2afp n LEU 70 CO 0.37 1.43 -0.38 -1.10 -1.22 0.00 0.00 177.39 176.49 2afp s GLN 71 N -3.08 0.84 -1.14 3.23 -0.21 -1.26 -5.06 119.66 112.97 2afp s GLN 71 Ca 0.39 -0.50 -0.21 0.00 0.02 0.00 0.00 55.36 55.05 2afp s GLN 71 Cb 0.37 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 32.24 2afp s GLN 71 CO -0.03 -0.62 1.75 0.00 -2.12 0.00 0.00 175.29 174.27 2afp s ALA 72 N 1.78 2.53 -0.68 6.09 0.00 -1.26 -3.80 121.76 126.43 2afp s ALA 72 Ca -0.02 -2.35 -0.00 0.00 0.00 0.00 0.00 51.96 49.59 2afp s ALA 72 Cb -0.17 -4.61 -0.01 0.00 0.00 0.00 0.00 23.12 18.33 2afp s ALA 72 CO -0.08 -4.09 0.57 0.41 0.00 0.00 0.00 175.76 172.57 2afp n GLY 73 N 6.09 -0.05 2.86 0.00 0.00 -1.26 -5.02 105.19 107.81 2afp n GLY 73 Ca 0.43 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.21 -1.17 0.00 4.61 0.00 -1.25 -5.13 121.76 115.61 2afp s ALA 74 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2afp s ALA 74 Cb -0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2afp s ALA 74 CO 0.42 -2.17 0.00 -2.67 0.00 0.00 0.00 175.76 171.34 2afp n TRP 75 N 3.90 0.00 -4.15 0.00 4.27 -1.26 -4.78 117.44 115.42 2afp n TRP 75 Ca 0.14 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.60 2afp n TRP 75 Cb 0.51 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.40 2afp n TRP 75 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 2afp s THR 76 N -2.25 0.00 0.00 -1.67 -1.32 -1.26 -5.09 115.64 104.05 2afp s THR 76 Ca 0.00 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2afp s THR 76 Cb 0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2afp s THR 76 CO 0.00 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.20 2afp n TRP 77 N -0.52 -2.04 -0.04 9.09 5.03 -1.26 -3.57 117.44 124.13 2afp n TRP 77 Ca 0.03 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.46 2afp n TRP 77 Cb 0.62 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.87 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 -0.81 0.04 -0.03 -0.99 0.02 -1.80 -2.92 113.55 107.07 2afp h SER 78 Ca 0.00 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2afp h SER 78 Cb 0.00 0.02 -0.20 0.00 0.14 0.00 0.00 62.40 62.36 2afp h SER 78 CO 0.00 0.05 -0.48 -0.90 -1.14 0.00 0.00 176.83 174.37 2afp n ASP 79 N -5.06 -0.56 -0.04 3.07 5.68 -1.26 -4.58 116.55 113.80 2afp n ASP 79 Ca -0.03 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2afp n ASP 79 Cb 0.08 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2afp n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2afp n GLY 80 N -0.23 1.16 3.75 6.12 0.00 -1.26 -5.08 105.19 109.65 2afp n GLY 80 Ca -0.18 -0.43 -0.30 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 -2.07 1.84 0.90 2.61 -4.23 -1.26 -5.03 115.64 108.39 2afp s THR 81 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 2afp s THR 81 Cb 0.00 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.33 2afp s THR 81 CO 0.00 0.00 1.17 -0.81 -0.54 0.00 0.00 174.62 174.44 2afp n PRO 82 N -4.18 -1.33 0.00 3.99 -0.04 -1.26 -4.87 135.00 127.30 2afp n PRO 82 Ca 0.12 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 2afp n PRO 82 Cb 0.59 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2afp n PRO 82 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2afp n MET 83 N -3.61 0.00 -4.05 0.54 2.81 -1.26 -4.97 117.12 106.58 2afp n MET 83 Ca 0.15 0.23 -0.13 0.00 -1.81 0.00 0.00 57.70 56.14 2afp n MET 83 Cb 0.52 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 31.88 2afp n MET 83 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2afp s ASN 84 N -2.26 0.69 0.02 7.83 6.03 -1.26 -5.06 114.94 120.94 2afp s ASN 84 Ca 0.00 -1.38 0.04 0.00 -1.03 0.00 0.00 52.86 50.48 2afp s ASN 84 Cb 0.00 0.67 -0.25 0.00 -3.03 0.00 0.00 41.25 38.64 2afp s ASN 84 CO 0.00 -1.31 0.92 -0.26 -2.03 0.00 0.00 177.10 174.42 2afp h PHE 85 N 2.13 0.21 -1.67 1.54 -1.00 -1.97 -3.47 116.94 112.70 2afp h PHE 85 Ca -0.29 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.39 2afp h PHE 85 Cb 1.24 -0.01 -0.25 0.00 3.61 0.00 0.00 35.95 40.55 2afp h PHE 85 CO 1.32 1.18 0.41 1.03 -1.61 0.00 0.00 178.31 180.64 2afp s ARG 86 N -2.64 0.59 -0.96 1.51 0.52 -1.26 -5.01 118.95 111.71 2afp s ARG 86 Ca -0.05 0.57 -0.15 0.00 -0.52 0.00 0.00 55.73 55.58 2afp s ARG 86 Cb 0.08 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.74 2afp s ARG 86 CO 0.83 -0.10 2.08 0.43 0.02 0.00 0.00 175.30 178.57 2afp n SER 87 N 1.99 3.82 0.10 0.23 7.64 -1.26 -4.64 113.62 121.49 2afp n SER 87 Ca -0.13 -2.58 -0.04 0.00 1.01 0.00 0.00 58.87 57.13 2afp n SER 87 Cb 0.56 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 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 6.97 -0.24 0.00 1.43 4.06 -1.96 -3.41 115.95 122.81 2afp h TRP 88 Ca 0.49 -0.01 -0.29 0.00 2.06 0.00 0.00 58.89 61.14 2afp h TRP 88 Cb 0.48 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.67 2afp h TRP 88 CO 1.53 -0.15 -2.10 0.00 -3.56 0.00 0.00 178.44 174.17 2afp n SER 90 N -2.71 -7.33 -3.11 0.00 2.88 -1.26 -5.00 113.62 97.09 2afp n SER 90 Ca -0.28 0.86 -0.16 0.00 -1.33 0.00 0.00 58.87 57.96 2afp n SER 90 Cb 0.98 -4.89 0.15 0.00 -0.75 0.00 0.00 64.21 59.70 2afp n SER 90 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2afp n THR 91 N 0.13 0.00 0.00 2.46 5.66 -1.26 -4.96 114.28 116.30 2afp n THR 91 Ca 0.06 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2afp n THR 91 Cb 0.22 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 2afp n THR 91 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2afp n LYS 92 N -3.94 0.00 -0.09 1.09 4.81 -1.26 -5.16 118.16 113.61 2afp n LYS 92 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2afp n LYS 92 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 2afp n LYS 92 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2afp n PRO 93 N 0.00 0.69 -1.38 1.64 -0.04 -1.26 -4.99 135.00 129.66 2afp n PRO 93 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2afp n PRO 93 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2afp n PRO 93 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2afp n ASP 94 N -1.66 -7.56 -0.45 3.54 2.03 -1.26 -5.07 116.55 106.13 2afp n ASP 94 Ca 0.00 1.26 0.00 0.00 0.52 0.00 0.00 54.79 56.57 2afp n ASP 94 Cb 0.00 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.25 2afp n ASP 94 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2afp n ASP 95 N -1.40 0.00 0.00 1.67 -0.08 -1.26 -5.00 116.55 110.48 2afp n ASP 95 Ca 0.00 -0.45 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 2afp n ASP 95 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 2afp n ASP 95 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2afp n VAL 96 N 0.00 0.00 0.30 5.18 0.31 -1.26 -2.51 118.33 120.35 2afp n VAL 96 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2afp n VAL 96 Cb 0.00 0.00 0.96 0.00 -0.91 0.00 0.00 33.84 33.89 2afp n VAL 96 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2afp h LEU 97 N 0.00 0.00 -1.93 7.52 5.85 -1.90 -1.53 115.31 123.33 2afp h LEU 97 Ca 0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 2afp h LEU 97 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2afp h LEU 97 CO 0.00 0.00 0.50 0.00 -0.34 0.00 0.00 178.44 178.60 2afp h ALA 98 N 1.67 2.23 -3.65 1.25 0.00 -1.89 -3.39 119.26 115.48 2afp h ALA 98 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2afp h ALA 98 Cb 0.41 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 17.92 2afp h ALA 98 CO -0.00 -0.76 -0.74 0.00 0.00 0.00 0.00 179.25 177.76 2afp s ALA 99 N -4.64 0.18 0.00 0.00 0.00 -0.58 -3.09 121.76 113.63 2afp s ALA 99 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2afp s ALA 99 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2afp s ALA 99 CO 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 175.76 176.30 2afp n MET 102 N -3.03 -3.90 -3.71 0.00 1.56 -0.84 -3.11 117.12 104.09 2afp n MET 102 Ca -0.24 2.97 0.00 0.00 -0.27 0.00 0.00 57.70 60.16 2afp n MET 102 Cb 1.08 -3.53 0.01 0.00 2.15 0.00 0.00 33.22 32.93 2afp n MET 102 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2afp n GLN 103 N -1.76 0.35 -3.79 2.12 10.64 -1.20 -3.37 117.38 120.36 2afp n GLN 103 Ca 0.00 -0.98 -0.30 0.00 -1.83 0.00 0.00 57.00 53.90 2afp n GLN 103 Cb 0.23 1.44 -0.15 0.00 -0.86 0.00 0.00 30.24 30.90 2afp n GLN 103 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2afp s MET 104 N -2.03 0.92 0.46 2.61 -2.45 -1.24 -2.35 119.30 115.22 2afp s MET 104 Ca 0.24 -1.00 -0.07 0.00 -1.25 0.00 0.00 55.69 53.61 2afp s MET 104 Cb -0.02 -2.22 0.11 0.00 1.25 0.00 0.00 34.83 33.95 2afp s MET 104 CO 0.02 -0.85 0.24 0.25 1.05 0.00 0.00 175.02 175.73 2afp n THR 105 N 4.80 0.00 -2.49 10.11 -2.24 -1.18 -3.52 114.28 119.77 2afp n THR 105 Ca -0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.58 2afp n THR 105 Cb 0.43 -0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.26 4.08 -2.54 6.98 0.00 -1.26 -4.73 120.51 119.78 2afp n ALA 106 Ca -0.05 -3.53 -0.26 0.00 0.00 0.00 0.00 53.44 49.60 2afp n ALA 106 Cb 0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 2afp n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp s ALA 107 N -3.52 2.91 -1.23 0.00 0.00 -1.26 -5.00 121.76 113.67 2afp s ALA 107 Ca 0.39 -2.09 0.20 0.00 0.00 0.00 0.00 51.96 50.45 2afp s ALA 107 Cb 0.40 -0.00 0.92 0.00 0.00 0.00 0.00 23.12 24.43 2afp s ALA 107 CO -0.04 0.05 1.62 0.00 0.00 0.00 0.00 175.76 177.39 2afp n ALA 108 N -0.79 1.97 -1.22 0.00 0.00 -1.26 -2.62 120.51 116.60 2afp n ALA 108 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.32 2afp n ALA 108 Cb 0.64 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.79 2afp n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2afp n ASP 109 N -1.39 0.67 -0.07 0.00 -0.08 -1.26 -4.77 116.55 109.65 2afp n ASP 109 Ca 0.07 -1.83 -0.18 0.00 -1.51 0.00 0.00 54.79 51.34 2afp n ASP 109 Cb 0.19 -0.14 -0.13 0.00 2.34 0.00 0.00 41.12 43.38 2afp n ASP 109 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2afp n GLN 110 N -0.30 0.69 0.00 -0.67 3.00 -1.08 -5.06 117.38 113.97 2afp n GLN 110 Ca 0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2afp n GLN 110 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.19 2afp n GLN 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2afp s TRP 112 N 0.00 3.72 -0.27 0.00 1.48 -1.26 -3.08 118.94 119.53 2afp s TRP 112 Ca 0.00 1.24 -0.28 0.00 -1.06 0.00 0.00 56.10 56.00 2afp s TRP 112 Cb 0.00 -2.49 0.18 0.00 -1.16 0.00 0.00 33.47 30.00 2afp s TRP 112 CO 0.00 0.49 1.31 0.16 -4.06 0.00 0.00 176.95 174.85 2afp s ASP 113 N -1.41 -0.11 1.08 -2.66 1.47 -0.99 -4.73 116.67 109.33 2afp s ASP 113 Ca 0.35 0.14 -0.15 0.00 1.18 0.00 0.00 52.55 54.07 2afp s ASP 113 Cb -0.18 0.12 0.15 0.00 -0.34 0.00 0.00 42.92 42.67 2afp s ASP 113 CO 0.20 -0.08 0.47 -0.90 0.68 0.00 0.00 175.17 175.54 2afp n ASP 114 N 0.85 -1.89 -3.49 2.11 5.68 -1.26 -3.26 116.55 115.29 2afp n ASP 114 Ca -0.04 0.01 -0.09 0.00 -0.50 0.00 0.00 54.79 54.16 2afp n ASP 114 Cb 0.58 -1.14 -0.02 0.00 -1.14 0.00 0.00 41.12 39.40 2afp n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2afp s LEU 115 N -3.36 -0.42 0.18 -2.12 2.96 -1.26 -4.66 118.68 110.01 2afp s LEU 115 Ca 0.61 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 2afp s LEU 115 Cb -0.18 2.21 -0.08 0.00 0.50 0.00 0.00 46.19 48.63 2afp s LEU 115 CO 0.65 -0.74 0.91 -2.16 -1.32 0.00 0.00 176.35 173.69 2afp s PRO 116 N -3.32 4.75 0.24 0.98 0.04 -1.18 -1.81 135.00 134.70 2afp s PRO 116 Ca 0.04 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 2afp s PRO 116 Cb -0.01 -3.31 0.39 0.00 0.04 0.00 0.00 34.50 31.61 2afp s PRO 116 CO -0.10 0.44 1.62 0.00 0.04 0.00 0.00 177.00 179.00 2afp s PRO 118 N -6.17 3.25 -0.44 0.00 0.04 -1.26 -4.57 135.00 125.84 2afp s PRO 118 Ca -0.14 -0.86 0.06 0.00 0.04 0.00 0.00 61.00 60.10 2afp s PRO 118 Cb 0.22 -5.26 0.32 0.00 0.04 0.00 0.00 34.50 29.82 2afp s PRO 118 CO 0.75 -2.60 1.16 0.00 0.04 0.00 0.00 177.00 176.35 2afp n ALA 119 N 10.59 -1.18 -1.33 8.56 0.00 -1.24 -5.10 120.51 130.81 2afp n ALA 119 Ca 0.36 -1.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.11 2afp n ALA 119 Cb 0.50 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 0.41 0.32 -3.44 0.00 2.88 -1.26 -4.71 113.62 107.82 2afp n SER 120 Ca 0.04 0.22 -0.27 0.00 -1.33 0.00 0.00 58.87 57.54 2afp n SER 120 Cb 0.71 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 63.24 2afp n SER 120 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2afp n HIS 121 N 9.19 -0.02 -1.05 0.66 8.25 -1.26 -4.39 115.22 126.60 2afp n HIS 121 Ca 0.59 -3.53 0.07 0.00 -0.26 0.00 0.00 57.72 54.58 2afp n HIS 121 Cb 0.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 2afp n HIS 121 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2afp n LYS 122 N 2.40 -1.00 -3.92 -0.41 4.01 -1.20 -2.09 118.16 115.95 2afp n LYS 122 Ca 0.27 0.66 -0.10 0.00 -0.51 0.00 0.00 58.31 58.62 2afp n LYS 122 Cb 0.46 -1.21 -0.11 0.00 -0.51 0.00 0.00 35.03 33.66 2afp n LYS 122 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2afp s SER 123 N -3.84 0.13 -0.15 4.39 0.15 -1.26 -4.27 113.70 108.85 2afp s SER 123 Ca 0.00 -0.33 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 2afp s SER 123 Cb 0.00 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 2afp s SER 123 CO 0.00 -0.32 -0.08 -0.69 1.20 0.00 0.00 173.24 173.35 2afp s VAL 124 N -1.36 1.20 -0.11 4.45 1.01 -1.26 -3.21 120.40 121.12 2afp s VAL 124 Ca -0.15 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2afp s VAL 124 Cb -0.08 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2afp s VAL 124 CO 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 175.10 175.14 2afp s ALA 126 N 0.42 1.16 0.05 0.00 0.00 -0.88 0.12 121.76 122.62 2afp s ALA 126 Ca -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2afp s ALA 126 Cb -0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2afp s ALA 126 CO 0.07 0.05 0.03 -1.64 0.00 0.00 0.00 175.76 174.27 2afp s MET 127 N -2.35 0.60 0.08 0.00 -1.94 0.37 -3.33 119.30 112.73 2afp s MET 127 Ca 0.03 -1.01 -0.01 0.00 -1.71 0.00 0.00 55.69 52.99 2afp s MET 127 Cb -0.06 0.22 0.00 0.00 2.01 0.00 0.00 34.83 37.00 2afp s MET 127 CO 0.01 -0.13 0.11 0.25 -0.01 0.00 0.00 175.02 175.25 2afp n THR 128 N 0.41 0.00 0.00 2.05 -2.24 -1.26 -2.80 114.28 110.43 2afp n THR 128 Ca -0.16 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2afp n THR 128 Cb 0.60 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2afp n THR 128 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99