#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan h ARG 2 N 0.00 0.70 0.00 0.00 -0.00 -1.78 -3.37 114.38 109.93 2qan h ARG 2 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2qan h ARG 2 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 29.81 2qan h ARG 2 CO 0.00 0.46 0.00 -0.89 0.00 0.00 0.00 179.97 179.54 2qan n ILE 3 N -4.80 0.00 0.00 2.04 5.41 -1.26 0.09 119.36 120.84 2qan n ILE 3 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2qan n ILE 3 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 2qan n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qan n ALA 4 N 0.42 1.90 0.00 -1.39 0.00 -1.26 -4.58 120.51 115.59 2qan n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qan n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qan n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 5 N 1.30 3.63 5.05 0.00 0.00 0.11 -4.95 105.19 110.33 2qan n GLY 5 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qan n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qan n ILE 6 N 0.00 0.00 -0.24 -0.61 5.41 -1.26 -4.82 119.36 117.84 2qan n ILE 6 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 2qan n ILE 6 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 2qan n ILE 6 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qan n ASN 7 N 1.42 0.14 -3.44 4.38 5.03 -1.26 -4.45 115.26 117.08 2qan n ASN 7 Ca 0.00 0.12 -0.26 0.00 0.87 0.00 0.00 54.58 55.31 2qan n ASN 7 Cb 0.00 -0.17 -0.09 0.00 -1.02 0.00 0.00 39.78 38.50 2qan n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2qan n ILE 8 N 1.25 1.24 -2.06 2.41 -6.64 -1.26 -4.38 119.36 109.91 2qan n ILE 8 Ca 0.11 -4.74 -0.41 0.00 -1.77 0.00 0.00 62.75 55.94 2qan n ILE 8 Cb -0.01 -2.05 -0.02 0.00 -1.44 0.00 0.00 39.64 36.13 2qan n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2qan s PRO 9 N -1.82 4.31 0.14 6.28 0.04 -1.26 -4.74 135.00 137.94 2qan s PRO 9 Ca 0.36 2.26 0.02 0.00 0.04 0.00 0.00 61.00 63.67 2qan s PRO 9 Cb 0.12 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2qan s PRO 9 CO -0.07 -0.31 -0.03 -0.51 0.04 0.00 0.00 177.00 176.11 2qan s ASP 10 N -0.04 1.16 0.00 6.66 1.01 -1.26 -4.54 116.67 119.66 2qan s ASP 10 Ca 0.54 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2qan s ASP 10 Cb -0.41 0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.63 2qan s ASP 10 CO 0.48 -0.52 0.00 1.41 0.21 0.00 0.00 175.17 176.75 2qan n HIS 11 N -0.14 0.00 -1.41 4.23 8.25 -1.26 -4.89 115.22 120.01 2qan n HIS 11 Ca -0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.98 2qan n HIS 11 Cb 0.62 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.76 2qan n HIS 11 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qan n LYS 12 N 0.00 0.38 -1.52 -0.41 4.76 -1.26 -4.65 118.16 115.45 2qan n LYS 12 Ca 0.00 0.15 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 2qan n LYS 12 Cb 0.00 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.76 2qan n LYS 12 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qan n HIS 13 N -1.54 0.58 -0.27 2.13 8.25 -1.26 -3.78 115.22 119.33 2qan n HIS 13 Ca 0.11 0.42 0.07 0.00 -0.26 0.00 0.00 57.72 58.05 2qan n HIS 13 Cb 0.46 -2.10 0.21 0.00 1.12 0.00 0.00 29.99 29.69 2qan n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qan h ALA 14 N 0.19 1.11 0.61 -1.41 0.00 0.32 0.10 119.26 120.19 2qan h ALA 14 Ca -0.48 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2qan h ALA 14 Cb 1.36 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.30 2qan h ALA 14 CO 0.49 -0.27 -0.29 0.28 0.00 0.00 0.00 179.25 179.45 2qan h VAL 15 N 0.38 0.00 -0.03 0.00 2.07 -1.83 0.16 116.25 117.00 2qan h VAL 15 Ca 0.45 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.86 2qan h VAL 15 Cb 0.74 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2qan h VAL 15 CO -0.46 0.00 0.06 -0.29 0.02 0.00 0.00 177.57 176.90 2qan h ILE 16 N -0.93 0.30 0.03 4.57 2.10 -1.84 -2.51 117.51 119.23 2qan h ILE 16 Ca -0.08 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.74 2qan h ILE 16 Cb 0.63 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 2qan h ILE 16 CO 0.14 0.00 -0.60 0.00 -1.08 0.00 0.00 178.15 176.61 2qan h ALA 17 N 1.91 0.09 -1.00 0.18 0.00 -0.69 -3.35 119.26 116.40 2qan h ALA 17 Ca 0.02 -0.79 0.24 0.00 0.00 0.00 0.00 54.91 54.38 2qan h ALA 17 Cb 0.14 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2qan h ALA 17 CO -0.00 0.33 0.65 -0.07 0.00 0.00 0.00 179.25 180.16 2qan h LEU 18 N -0.86 0.47 -2.15 0.00 3.38 -0.24 0.35 115.31 116.25 2qan h LEU 18 Ca -0.15 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2qan h LEU 18 Cb 1.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2qan h LEU 18 CO -0.04 0.13 0.28 0.71 0.09 0.00 0.00 178.44 179.61 2qan h THR 19 N 0.43 0.41 -0.04 0.22 1.35 -1.62 0.20 112.91 113.86 2qan h THR 19 Ca 0.56 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.43 2qan h THR 19 Cb 1.36 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2qan h THR 19 CO -0.27 0.00 0.09 0.28 -0.25 0.00 0.00 175.52 175.37 2qan h SER 20 N 0.00 0.00 -2.17 5.36 0.02 -0.48 -3.40 113.55 112.88 2qan h SER 20 Ca 0.11 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.53 2qan h SER 20 Cb 0.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2qan h SER 20 CO -0.00 0.00 1.40 -0.63 -1.14 0.00 0.00 176.83 176.46 2qan s ILE 21 N -4.37 3.28 -1.00 3.27 1.01 0.70 -4.82 121.20 119.28 2qan s ILE 21 Ca -0.05 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 2qan s ILE 21 Cb 0.13 -3.52 -0.29 0.00 0.01 0.00 0.00 42.46 38.80 2qan s ILE 21 CO 0.46 -0.42 2.39 -1.22 0.00 0.00 0.00 174.94 176.15 2qan n TYR 22 N 12.29 0.25 0.00 3.97 0.53 -1.26 -1.90 117.16 131.05 2qan n TYR 22 Ca 0.26 0.17 0.00 0.00 -1.02 0.00 0.00 57.90 57.31 2qan n TYR 22 Cb 0.50 -1.34 0.00 0.00 -1.03 0.00 0.00 39.34 37.46 2qan n TYR 22 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qan n GLY 23 N 5.95 0.02 3.00 2.72 0.00 -1.26 -0.46 105.19 115.16 2qan n GLY 23 Ca 0.67 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 2qan n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qan s VAL 24 N -0.90 0.55 0.53 1.61 -7.23 -0.80 -4.96 120.40 109.21 2qan s VAL 24 Ca 0.00 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 2qan s VAL 24 Cb 0.00 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.45 2qan s VAL 24 CO 0.00 0.06 0.08 -0.83 -0.31 0.00 0.00 175.10 174.10 2qan s GLY 25 N -0.42 2.98 0.38 2.32 0.00 -1.26 -4.59 107.32 106.73 2qan s GLY 25 Ca 0.01 -0.27 0.27 0.00 0.00 0.00 0.00 44.72 44.73 2qan s GLY 25 CO -0.00 -2.17 1.35 0.28 0.00 0.00 0.00 173.10 172.55 2qan n LYS 26 N -1.40 -0.03 0.14 2.90 4.76 -1.26 -1.11 118.16 122.16 2qan n LYS 26 Ca -0.18 1.09 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 2qan n LYS 26 Cb 0.67 -2.13 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2qan n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2qan h THR 27 N 0.00 0.00 -0.68 -0.18 2.02 -1.98 -1.41 112.91 110.67 2qan h THR 27 Ca 0.76 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.77 2qan h THR 27 Cb 2.42 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 2qan h THR 27 CO -0.42 0.00 0.45 -0.09 0.37 0.00 0.00 175.52 175.83 2qan h ARG 28 N -0.63 0.62 -0.12 6.66 1.12 -1.64 -1.91 114.38 118.49 2qan h ARG 28 Ca -0.04 -0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 58.66 2qan h ARG 28 Cb 0.30 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2qan h ARG 28 CO 0.06 0.41 -0.44 1.03 -3.11 0.00 0.00 179.97 177.92 2qan h SER 29 N 0.64 0.60 0.31 -3.80 0.87 -1.21 -1.87 113.55 109.09 2qan h SER 29 Ca 0.30 -0.61 -0.08 0.00 -1.23 0.00 0.00 61.79 60.17 2qan h SER 29 Cb 0.35 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2qan h SER 29 CO -0.10 1.11 -0.36 0.50 -0.53 0.00 0.00 176.83 177.46 2qan h LYS 30 N 0.13 0.07 0.14 2.24 3.64 -0.89 -3.17 116.57 118.72 2qan h LYS 30 Ca -0.02 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 2qan h LYS 30 Cb 1.07 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2qan h LYS 30 CO 0.09 0.42 -0.91 0.00 -2.27 0.00 0.00 179.45 176.79 2qan h ALA 31 N 1.58 -0.05 -0.90 5.00 0.00 -1.39 -3.32 119.26 120.17 2qan h ALA 31 Ca 0.01 -0.76 0.23 0.00 0.00 0.00 0.00 54.91 54.39 2qan h ALA 31 Cb 0.66 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2qan h ALA 31 CO 0.05 0.44 0.62 0.97 0.00 0.00 0.00 179.25 181.33 2qan h ILE 32 N -0.37 0.61 0.00 0.00 2.10 -1.33 -0.44 117.51 118.08 2qan h ILE 32 Ca -0.17 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2qan h ILE 32 Cb 1.66 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 2qan h ILE 32 CO 0.14 0.04 0.00 0.18 -1.08 0.00 0.00 178.15 177.42 2qan n LEU 33 N -4.41 0.04 -0.15 2.19 4.77 -1.20 -1.43 117.00 116.80 2qan n LEU 33 Ca 0.19 0.89 -0.03 0.00 -0.03 0.00 0.00 56.01 57.03 2qan n LEU 33 Cb 0.83 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2qan n LEU 33 CO 0.34 -0.44 0.79 0.00 -1.33 0.00 0.00 177.39 176.75 2qan h ALA 34 N -2.00 0.35 -0.81 -1.18 0.00 -1.47 1.35 119.26 115.50 2qan h ALA 34 Ca 0.00 0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.29 2qan h ALA 34 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2qan h ALA 34 CO 0.00 -0.43 0.56 0.00 0.00 0.00 0.00 179.25 179.38 2qan h ALA 35 N 1.47 2.47 0.00 0.00 0.00 -1.15 0.78 119.26 122.84 2qan h ALA 35 Ca 0.23 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2qan h ALA 35 Cb 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2qan h ALA 35 CO -0.47 -0.71 -1.74 0.00 0.00 0.00 0.00 179.25 176.33 2qan n ALA 36 N -2.61 1.79 0.00 0.00 0.00 0.63 -5.00 120.51 115.32 2qan n ALA 36 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2qan n ALA 36 Cb 0.75 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qan n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 37 N 1.50 0.84 3.12 0.00 0.00 0.43 -4.97 105.19 106.10 2qan n GLY 37 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2qan n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qan s ILE 38 N -1.49 1.09 0.00 -0.61 -1.09 0.03 -4.95 121.20 114.19 2qan s ILE 38 Ca 0.00 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2qan s ILE 38 Cb 0.00 -0.94 0.00 0.00 -1.58 0.00 0.00 42.46 39.94 2qan s ILE 38 CO 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 174.94 173.90 2qan n ALA 39 N 2.43 0.00 -0.09 9.38 0.00 -1.26 -3.22 120.51 127.74 2qan n ALA 39 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2qan n ALA 39 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 2qan n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qan n GLU 40 N -1.33 0.41 0.28 0.00 -0.58 -1.26 -4.54 120.64 113.62 2qan n GLU 40 Ca 0.00 0.17 0.15 0.00 -0.42 0.00 0.00 57.16 57.06 2qan n GLU 40 Cb 0.00 -1.19 0.80 0.00 -0.57 0.00 0.00 31.44 30.48 2qan n GLU 40 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2qan h ASP 41 N -0.61 0.00 -1.75 1.62 3.45 -1.96 -3.01 116.42 114.16 2qan h ASP 41 Ca -0.47 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.31 2qan h ASP 41 Cb 1.44 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 40.25 2qan h ASP 41 CO -0.27 0.08 0.68 1.33 -1.57 0.00 0.00 179.24 179.49 2qan n VAL 42 N -3.43 0.14 -2.64 -1.35 0.24 -1.26 -4.52 118.33 105.50 2qan n VAL 42 Ca -0.01 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 2qan n VAL 42 Cb 0.23 -1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 31.46 2qan n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qan s LYS 43 N 1.72 3.86 0.43 7.34 3.01 -1.26 0.62 119.74 135.46 2qan s LYS 43 Ca 0.88 0.76 0.29 0.00 -1.01 0.00 0.00 55.97 56.89 2qan s LYS 43 Cb -0.93 -3.83 1.41 0.00 -1.01 0.00 0.00 37.83 33.47 2qan s LYS 43 CO 0.51 -1.15 1.63 -0.84 0.51 0.00 0.00 175.35 176.01 2qan h ILE 44 N 6.00 0.13 0.02 2.17 -0.00 -1.83 0.37 117.51 124.36 2qan h ILE 44 Ca -0.22 -0.03 -0.00 0.00 -0.00 0.00 0.00 64.86 64.61 2qan h ILE 44 Cb 1.06 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.91 2qan h ILE 44 CO 1.08 0.02 -0.01 0.77 -0.00 0.00 0.00 178.15 180.00 2qan h SER 45 N 0.09 -0.02 0.42 2.16 4.64 -1.86 -3.21 113.55 115.77 2qan h SER 45 Ca 0.81 -0.51 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 2qan h SER 45 Cb 2.52 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 64.61 2qan h SER 45 CO -0.43 0.51 -0.28 1.05 -0.87 0.00 0.00 176.83 176.81 2qan h GLU 46 N -0.56 0.00 -6.12 4.77 -0.00 -0.94 -3.45 114.58 108.28 2qan h GLU 46 Ca -0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 59.36 58.77 2qan h GLU 46 Cb 0.53 0.00 0.19 0.00 -0.00 0.00 0.00 28.75 29.48 2qan h GLU 46 CO 0.00 0.28 -1.15 1.28 -0.00 0.00 0.00 179.01 179.42 2qan n LEU 47 N -3.91 -3.26 -4.91 3.06 4.77 0.94 -4.96 117.00 108.73 2qan n LEU 47 Ca -0.02 0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2qan n LEU 47 Cb 0.35 -0.90 0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2qan n LEU 47 CO 0.36 -4.71 0.76 -0.44 -1.33 0.00 0.00 177.39 172.03 2qan s SER 48 N -1.07 4.38 0.00 -1.43 0.01 -1.26 -4.93 113.70 109.40 2qan s SER 48 Ca 0.55 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2qan s SER 48 Cb -0.41 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2qan s SER 48 CO 0.68 -1.95 0.47 1.21 0.41 0.00 0.00 173.24 174.05 2qan n GLU 49 N -3.29 0.00 -0.54 12.44 4.07 -1.26 -1.56 120.64 130.50 2qan n GLU 49 Ca 0.09 0.36 0.44 0.00 -0.06 0.00 0.00 57.16 57.99 2qan n GLU 49 Cb 0.61 -0.97 0.72 0.00 -0.06 0.00 0.00 31.44 31.74 2qan n GLU 49 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2qan h GLY 50 N 0.00 0.93 1.29 8.31 0.00 -1.98 0.82 103.07 112.43 2qan h GLY 50 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qan h GLY 50 CO 0.00 -0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.17 2qan n GLN 51 N -4.48 0.16 0.00 4.80 6.02 -0.60 -1.46 117.38 121.82 2qan n GLN 51 Ca 0.41 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2qan n GLN 51 Cb 1.67 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 31.43 2qan n GLN 51 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2qan n ILE 52 N -1.14 0.00 0.42 5.09 0.13 0.28 -4.71 119.36 119.43 2qan n ILE 52 Ca 0.04 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.52 2qan n ILE 52 Cb 0.04 -0.14 -0.09 0.00 -0.84 0.00 0.00 39.64 38.61 2qan n ILE 52 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2qan h ASP 53 N 0.00 -0.90 -0.85 9.51 3.45 -0.69 -3.08 116.42 123.87 2qan h ASP 53 Ca 0.00 0.02 0.18 0.00 0.43 0.00 0.00 57.03 57.65 2qan h ASP 53 Cb 0.36 0.23 -0.11 0.00 -0.56 0.00 0.00 39.33 39.26 2qan h ASP 53 CO 0.00 -0.57 0.38 0.71 -1.57 0.00 0.00 179.24 178.19 2qan h THR 54 N -1.18 0.61 0.00 0.35 1.35 -1.78 -2.65 112.91 109.61 2qan h THR 54 Ca -0.11 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2qan h THR 54 Cb 0.83 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2qan h THR 54 CO 0.18 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.72 2qan n LEU 55 N -4.97 0.00 -0.28 3.87 4.77 -1.17 -0.01 117.00 119.21 2qan n LEU 55 Ca 0.18 0.90 -0.05 0.00 -0.03 0.00 0.00 56.01 57.01 2qan n LEU 55 Cb 0.52 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2qan n LEU 55 CO 0.17 -0.40 0.58 0.03 -1.33 0.00 0.00 177.39 176.44 2qan h ARG 56 N 0.00 -0.11 -0.88 3.23 3.08 -1.48 0.28 114.38 118.50 2qan h ARG 56 Ca 0.00 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.22 2qan h ARG 56 Cb 0.00 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 2qan h ARG 56 CO 0.00 -0.08 0.45 0.22 -1.07 0.00 0.00 179.97 179.50 2qan h ASP 57 N -0.12 0.53 0.43 7.04 3.58 -1.02 -1.73 116.42 125.13 2qan h ASP 57 Ca 0.25 0.10 -0.31 0.00 0.42 0.00 0.00 57.03 57.49 2qan h ASP 57 Cb 0.56 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.64 2qan h ASP 57 CO -0.81 0.19 -1.44 -0.08 -2.88 0.00 0.00 179.24 174.22 2qan h GLU 58 N 0.60 0.36 0.00 0.28 4.81 0.15 -3.24 114.58 117.55 2qan h GLU 58 Ca 0.49 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2qan h GLU 58 Cb 0.75 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2qan h GLU 58 CO -0.39 1.27 0.00 1.55 -0.73 0.00 0.00 179.01 180.71 2qan n VAL 59 N -3.57 0.91 0.32 0.32 3.14 0.80 -2.07 118.33 118.18 2qan n VAL 59 Ca -0.15 0.37 0.21 0.00 -2.96 0.00 0.00 64.34 61.82 2qan n VAL 59 Cb 1.06 -1.32 1.08 0.00 -1.06 0.00 0.00 33.84 33.60 2qan n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qan h ALA 60 N 2.20 1.02 -1.67 1.55 0.00 -1.35 -3.24 119.26 117.77 2qan h ALA 60 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qan h ALA 60 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qan h ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2qan n LYS 61 N -3.11 0.00 -1.86 0.00 4.76 -0.88 -4.76 118.16 112.31 2qan n LYS 61 Ca -0.02 0.22 -0.36 0.00 -2.87 0.00 0.00 58.31 55.28 2qan n LYS 61 Cb 0.13 -1.14 0.05 0.00 -1.84 0.00 0.00 35.03 32.23 2qan n LYS 61 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2qan s PHE 62 N -1.66 2.22 0.36 2.13 5.36 -1.22 -4.97 117.98 120.20 2qan s PHE 62 Ca 0.00 1.50 -0.26 0.00 -0.96 0.00 0.00 56.93 57.21 2qan s PHE 62 Cb 0.00 -3.59 -0.09 0.00 -0.34 0.00 0.00 43.02 39.00 2qan s PHE 62 CO 0.00 -2.58 1.07 0.08 -1.46 0.00 0.00 175.22 172.33 2qan s VAL 63 N -1.51 3.60 0.29 3.12 1.01 -1.26 -4.98 120.40 120.66 2qan s VAL 63 Ca 0.80 1.36 0.02 0.00 0.00 0.00 0.00 61.98 64.16 2qan s VAL 63 Cb -0.34 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2qan s VAL 63 CO 0.37 0.14 0.34 1.33 0.00 0.00 0.00 175.10 177.28 2qan n VAL 64 N 0.38 0.00 0.00 2.92 0.24 -1.26 -4.83 118.33 115.77 2qan n VAL 64 Ca 0.03 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 2qan n VAL 64 Cb 0.48 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 2qan n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qan n GLU 65 N -0.51 0.00 0.00 7.34 -0.58 0.39 -2.67 120.64 124.62 2qan n GLU 65 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2qan n GLU 65 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 2qan n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qan n GLY 66 N 0.00 -3.07 0.25 0.62 0.00 -1.26 -1.83 105.19 99.90 2qan n GLY 66 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.46 2qan n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qan n ASP 67 N -1.78 -0.20 0.02 1.61 8.00 -1.13 0.84 116.55 123.92 2qan n ASP 67 Ca 0.00 1.20 -0.01 0.00 0.71 0.00 0.00 54.79 56.69 2qan n ASP 67 Cb 0.00 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2qan n ASP 67 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qan h LEU 68 N 0.00 -0.04 -1.78 0.64 3.38 -1.30 0.52 115.31 116.72 2qan h LEU 68 Ca 0.36 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.36 2qan h LEU 68 Cb 0.62 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2qan h LEU 68 CO -0.70 -0.03 0.44 0.03 0.09 0.00 0.00 178.44 178.26 2qan h ARG 69 N -0.05 0.00 0.00 1.13 2.47 -0.40 0.46 114.38 117.98 2qan h ARG 69 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2qan h ARG 69 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2qan h ARG 69 CO 0.01 0.00 0.00 -2.13 0.56 0.00 0.00 179.97 178.41 2qan n ARG 70 N -3.01 0.00 0.17 0.04 3.00 0.25 -3.78 116.66 113.33 2qan n ARG 70 Ca 0.00 0.31 0.10 0.00 -0.00 0.00 0.00 57.85 58.27 2qan n ARG 70 Cb 0.51 -0.86 0.63 0.00 0.00 0.00 0.00 32.46 32.73 2qan n ARG 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2qan h GLU 71 N 0.00 0.06 -0.62 -0.14 4.81 0.37 -1.53 114.58 117.54 2qan h GLU 71 Ca 0.00 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2qan h GLU 71 Cb 0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2qan h GLU 71 CO 0.00 0.04 0.41 0.97 -0.73 0.00 0.00 179.01 179.71 2qan h ILE 72 N 0.07 0.90 0.00 2.32 2.10 -0.26 0.25 117.51 122.88 2qan h ILE 72 Ca 0.08 -0.15 -0.10 0.00 1.08 0.00 0.00 64.86 65.76 2qan h ILE 72 Cb 0.22 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 2qan h ILE 72 CO -0.01 0.08 -0.48 0.28 -1.08 0.00 0.00 178.15 176.94 2qan h SER 73 N 0.44 0.00 -0.43 2.19 0.02 -1.37 -3.16 113.55 111.24 2qan h SER 73 Ca 0.28 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 2qan h SER 73 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2qan h SER 73 CO -0.08 0.48 -0.30 0.24 -1.14 0.00 0.00 176.83 176.03 2qan h MET 74 N 0.00 0.96 -0.41 3.45 2.86 -0.46 -1.77 114.93 119.56 2qan h MET 74 Ca -0.00 -0.46 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 2qan h MET 74 Cb 1.37 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 2qan h MET 74 CO 0.06 1.12 -0.04 0.66 1.06 0.00 0.00 176.91 179.77 2qan h SER 75 N 0.79 0.66 -0.29 1.22 4.64 -1.31 0.33 113.55 119.59 2qan h SER 75 Ca 0.08 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 2qan h SER 75 Cb 0.88 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2qan h SER 75 CO 0.08 0.76 -0.06 0.40 -0.87 0.00 0.00 176.83 177.14 2qan h ILE 76 N 0.64 1.24 -0.01 0.95 2.04 -1.47 -3.12 117.51 117.78 2qan h ILE 76 Ca 0.12 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 2qan h ILE 76 Cb 0.46 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2qan h ILE 76 CO 0.02 0.35 -0.11 0.50 0.00 0.00 0.00 178.15 178.91 2qan h LYS 77 N 0.62 0.09 -0.91 2.37 3.64 -0.55 -2.83 116.57 119.00 2qan h LYS 77 Ca 0.12 -0.09 0.37 0.00 -1.27 0.00 0.00 60.65 59.78 2qan h LYS 77 Cb 0.48 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.17 2qan h LYS 77 CO 0.03 0.81 0.50 -2.13 -2.27 0.00 0.00 179.45 176.39 2qan n ARG 78 N -4.63 -0.05 -0.02 1.90 0.63 0.11 0.12 116.66 114.72 2qan n ARG 78 Ca -0.09 1.19 -0.09 0.00 -0.92 0.00 0.00 57.85 57.94 2qan n ARG 78 Cb 0.42 -2.16 -0.14 0.00 0.45 0.00 0.00 32.46 31.03 2qan n ARG 78 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2qan n LEU 79 N -4.92 0.99 0.36 6.15 -0.00 -1.23 -3.21 117.00 115.15 2qan n LEU 79 Ca 0.33 0.41 -0.16 0.00 -0.00 0.00 0.00 56.01 56.60 2qan n LEU 79 Cb 1.15 0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 44.58 2qan n LEU 79 CO 0.02 0.41 0.44 0.24 -0.00 0.00 0.00 177.39 178.50 2qan h MET 80 N 0.00 -0.91 0.00 1.47 2.86 0.12 -1.46 114.93 117.03 2qan h MET 80 Ca -0.29 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2qan h MET 80 Cb 2.01 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.88 2qan h MET 80 CO 0.08 -0.58 0.00 -0.40 1.06 0.00 0.00 176.91 177.07 2qan n ASP 81 N -5.41 0.16 -0.05 1.22 3.85 0.11 -1.62 116.55 114.81 2qan n ASP 81 Ca -0.12 0.57 -0.15 0.00 -0.71 0.00 0.00 54.79 54.38 2qan n ASP 81 Cb 0.38 -0.59 -0.13 0.00 -1.35 0.00 0.00 41.12 39.43 2qan n ASP 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qan h LEU 82 N 0.00 0.09 0.00 -2.12 6.46 -1.37 -3.49 115.31 114.87 2qan h LEU 82 Ca 0.00 -0.99 0.00 0.00 -0.12 0.00 0.00 57.88 56.77 2qan h LEU 82 Cb 0.04 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2qan h LEU 82 CO 0.00 1.07 0.00 0.61 -0.62 0.00 0.00 178.44 179.50 2qan n GLY 83 N 1.62 1.34 3.90 3.75 0.00 -0.61 -5.08 105.19 110.12 2qan n GLY 83 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2qan n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan h TYR 85 N 0.19 0.52 0.02 0.00 3.20 -1.98 0.79 116.97 119.71 2qan h TYR 85 Ca -0.46 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 2qan h TYR 85 Cb 1.20 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2qan h TYR 85 CO 0.60 -0.16 -0.03 0.00 -1.64 0.00 0.00 178.16 176.93 2qan h ARG 86 N 0.28 -0.05 -0.49 1.82 3.08 -1.93 -1.08 114.38 116.00 2qan h ARG 86 Ca 0.58 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.73 2qan h ARG 86 Cb 1.19 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.16 2qan h ARG 86 CO -0.61 -0.03 -0.05 0.78 -1.07 0.00 0.00 179.97 178.98 2qan h GLY 87 N -0.05 0.44 -0.39 0.04 0.00 -1.56 0.24 103.07 101.79 2qan h GLY 87 Ca -0.00 0.10 0.30 0.00 0.00 0.00 0.00 47.33 47.73 2qan h GLY 87 CO -0.01 -0.16 0.62 1.41 0.00 0.00 0.00 176.54 178.40 2qan h LEU 88 N 0.06 0.53 -0.06 3.11 3.38 -0.72 0.52 115.31 122.13 2qan h LEU 88 Ca 0.25 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2qan h LEU 88 Cb 0.37 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qan h LEU 88 CO -0.45 -0.03 0.04 0.03 0.09 0.00 0.00 178.44 178.12 2qan h ARG 89 N 0.39 0.08 -0.22 1.13 2.47 0.40 -3.05 114.38 115.59 2qan h ARG 89 Ca 0.69 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.42 2qan h ARG 89 Cb 1.59 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.88 2qan h ARG 89 CO -0.49 0.09 0.10 0.45 0.56 0.00 0.00 179.97 180.68 2qan h HIS 90 N 0.05 0.18 0.00 3.04 3.86 -0.80 -0.62 115.15 120.86 2qan h HIS 90 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qan h HIS 90 Cb 0.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2qan h HIS 90 CO -0.06 0.10 0.00 2.89 0.86 0.00 0.00 177.93 181.72 2qan n ARG 91 N -5.00 0.39 0.00 2.45 1.85 -0.93 -1.03 116.66 114.38 2qan n ARG 91 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2qan n ARG 91 Cb 0.06 -1.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 2qan n ARG 91 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2qan n ARG 92 N -0.77 0.53 -2.83 2.89 5.12 -0.37 -5.01 116.66 116.22 2qan n ARG 92 Ca 0.05 -0.68 -0.21 0.00 -1.93 0.00 0.00 57.85 55.08 2qan n ARG 92 Cb 0.02 -0.81 0.02 0.00 -1.16 0.00 0.00 32.46 30.53 2qan n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qan n GLY 93 N -0.14 -0.51 3.46 -0.13 0.00 -0.20 -4.99 105.19 102.68 2qan n GLY 93 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2qan n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qan s LEU 94 N -6.39 2.62 0.35 0.99 1.43 -0.45 -3.35 118.68 113.87 2qan s LEU 94 Ca 0.20 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2qan s LEU 94 Cb -0.09 -1.50 -0.12 0.00 0.03 0.00 0.00 46.19 44.51 2qan s LEU 94 CO 0.25 0.21 1.43 -0.81 0.23 0.00 0.00 176.35 177.66 2qan n PRO 95 N 1.17 2.45 -0.06 1.29 -0.04 -1.26 -4.21 135.00 134.35 2qan n PRO 95 Ca -0.16 0.86 -0.02 0.00 -0.04 0.00 0.00 63.50 64.14 2qan n PRO 95 Cb 0.52 -2.54 -0.15 0.00 -0.04 0.00 0.00 33.50 31.29 2qan n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qan n VAL 96 N 0.68 0.95 0.44 0.52 0.31 -1.26 -4.23 118.33 115.74 2qan n VAL 96 Ca 0.04 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2qan n VAL 96 Cb 0.37 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qan n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qan n ARG 97 N -2.63 0.27 -3.08 5.55 3.00 -1.26 -4.78 116.66 113.74 2qan n ARG 97 Ca -0.21 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.49 2qan n ARG 97 Cb 0.94 -1.05 0.06 0.00 0.00 0.00 0.00 32.46 32.42 2qan n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qan n GLY 98 N -0.02 -0.96 2.49 -0.13 0.00 -1.26 -5.05 105.19 100.26 2qan n GLY 98 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 2qan n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qan n GLN 99 N -3.06 0.83 -3.32 1.61 3.00 -1.26 -5.10 117.38 110.08 2qan n GLN 99 Ca -0.06 -2.08 -0.38 0.00 -0.01 0.00 0.00 57.00 54.46 2qan n GLN 99 Cb 0.61 -0.01 -0.06 0.00 0.00 0.00 0.00 30.24 30.78 2qan n GLN 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2qan s ARG 100 N -3.60 4.31 -0.17 -1.09 1.70 -1.26 -4.97 118.95 113.85 2qan s ARG 100 Ca 0.32 0.47 0.06 0.00 -0.47 0.00 0.00 55.73 56.11 2qan s ARG 100 Cb -0.03 -3.41 -0.22 0.00 -0.57 0.00 0.00 34.95 30.72 2qan s ARG 100 CO 0.20 0.21 0.14 0.25 -1.08 0.00 0.00 175.30 175.03 2qan n THR 101 N 3.46 1.55 0.30 4.99 -2.24 -1.26 -4.16 114.28 116.92 2qan n THR 101 Ca -0.07 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2qan n THR 101 Cb 0.52 -1.18 0.72 0.00 -2.10 0.00 0.00 70.33 68.29 2qan n THR 101 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2qan h LYS 102 N 0.02 0.00 -2.27 -0.78 2.10 -2.05 -3.42 116.57 110.17 2qan h LYS 102 Ca -0.49 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.11 2qan h LYS 102 Cb 2.04 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 33.20 2qan h LYS 102 CO 0.01 0.00 0.17 0.99 -2.00 0.00 0.00 179.45 178.62 2qan s THR 103 N -3.94 0.00 -0.04 0.07 2.01 -1.26 -5.09 115.64 107.40 2qan s THR 103 Ca -0.03 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2qan s THR 103 Cb 0.08 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2qan s THR 103 CO 0.24 -0.02 0.07 0.59 -0.69 0.00 0.00 174.62 174.81 2qan n ASN 104 N 0.66 -5.15 0.00 3.53 4.13 -1.26 -4.61 115.26 112.56 2qan n ASN 104 Ca -0.19 1.48 0.00 0.00 1.68 0.00 0.00 54.58 57.55 2qan n ASN 104 Cb 0.59 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 2qan n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qan n ALA 105 N 1.93 0.01 -0.23 5.41 0.00 -1.26 -4.60 120.51 121.77 2qan n ALA 105 Ca -0.11 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.65 2qan n ALA 105 Cb 0.17 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.30 2qan n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qan h ARG 106 N 0.00 0.00 0.00 0.00 2.47 -1.95 0.83 114.38 115.73 2qan h ARG 106 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2qan h ARG 106 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2qan h ARG 106 CO 0.00 0.00 -0.57 1.15 0.56 0.00 0.00 179.97 181.11 2qan h THR 107 N 0.00 1.17 0.00 2.04 2.02 -1.95 -0.56 112.91 115.63 2qan h THR 107 Ca 0.49 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.53 2qan h THR 107 Cb 2.31 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 70.96 2qan h THR 107 CO -0.01 0.56 -0.16 -0.09 0.37 0.00 0.00 175.52 176.20 2qan h ARG 108 N 0.00 0.00 0.11 6.66 9.65 0.33 -3.42 114.38 127.71 2qan h ARG 108 Ca -0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2qan h ARG 108 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2qan h ARG 108 CO 0.07 0.00 -0.05 1.57 2.80 0.00 0.00 179.97 184.36 2qan h LYS 109 N -0.44 -0.14 0.00 0.20 2.10 -1.34 -3.46 116.57 113.49 2qan h LYS 109 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2qan h LYS 109 Cb 0.16 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2qan h LYS 109 CO 0.00 0.37 0.00 0.41 -2.00 0.00 0.00 179.45 178.23 2qan n GLY 110 N 0.64 0.76 3.60 0.07 0.00 -0.22 -5.04 105.19 105.01 2qan n GLY 110 Ca -0.08 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2qan n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qan s PRO 111 N -1.23 0.00 0.03 1.61 0.04 -1.26 -4.27 135.00 129.92 2qan s PRO 111 Ca 0.00 0.75 -0.39 0.00 0.04 0.00 0.00 61.00 61.40 2qan s PRO 111 Cb 0.00 -1.67 -0.19 0.00 0.04 0.00 0.00 34.50 32.69 2qan s PRO 111 CO 0.00 -3.08 1.20 0.54 0.04 0.00 0.00 177.00 175.70 2qan n ARG 112 N -4.45 0.50 0.00 4.56 5.12 -1.26 -5.06 116.66 116.07 2qan n ARG 112 Ca 0.05 0.18 0.14 0.00 -1.93 0.00 0.00 57.85 56.29 2qan n ARG 112 Cb 0.55 -1.75 0.49 0.00 -1.16 0.00 0.00 32.46 30.59 2qan n ARG 112 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33