#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fq4 s ASN 10 N 0.00 6.33 0.31 6.15 3.84 -1.26 -4.90 114.94 125.42 2fq4 s ASN 10 Ca 0.00 -1.10 0.07 0.00 0.21 0.00 0.00 52.86 52.04 2fq4 s ASN 10 Cb 0.00 -2.51 0.53 0.00 -0.55 0.00 0.00 41.25 38.72 2fq4 s ASN 10 CO 0.00 -1.54 1.75 -0.29 -2.79 0.00 0.00 177.10 174.23 2fq4 h ILE 11 N 6.22 1.28 -0.54 -5.21 6.09 -2.05 -2.14 117.51 121.16 2fq4 h ILE 11 Ca -0.07 -1.34 -0.10 0.00 -1.37 0.00 0.00 64.86 61.97 2fq4 h ILE 11 Cb 1.04 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 39.87 2fq4 h ILE 11 CO 1.28 0.40 -0.05 -0.33 -3.07 0.00 0.00 178.15 176.38 2fq4 h GLU 12 N 0.22 0.98 -0.14 2.19 5.08 -1.99 -0.03 114.58 120.90 2fq4 h GLU 12 Ca 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2fq4 h GLU 12 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2fq4 h GLU 12 CO 0.05 1.01 0.06 1.15 -1.00 0.00 0.00 179.01 180.29 2fq4 h THR 13 N 0.86 1.14 -0.45 1.13 2.02 -1.93 -1.64 112.91 114.03 2fq4 h THR 13 Ca 0.15 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.95 2fq4 h THR 13 Cb 0.60 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2fq4 h THR 13 CO 0.04 0.12 0.25 -0.61 0.37 0.00 0.00 175.52 175.69 2fq4 h GLN 14 N 0.08 0.49 -0.58 6.66 4.15 -1.26 -1.73 115.11 122.92 2fq4 h GLN 14 Ca 0.05 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.48 2fq4 h GLN 14 Cb 0.14 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2fq4 h GLN 14 CO -0.00 0.32 0.33 -0.22 -1.93 0.00 0.00 178.83 177.33 2fq4 h LYS 15 N 0.50 0.61 -0.33 1.69 3.64 -0.86 -1.09 116.57 120.73 2fq4 h LYS 15 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2fq4 h LYS 15 Cb 0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2fq4 h LYS 15 CO -0.10 0.40 0.15 0.00 -2.27 0.00 0.00 179.45 177.64 2fq4 h ALA 16 N 1.29 0.43 -0.39 5.00 0.00 -0.89 0.53 119.26 125.23 2fq4 h ALA 16 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2fq4 h ALA 16 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2fq4 h ALA 16 CO -0.14 0.00 0.18 0.82 0.00 0.00 0.00 179.25 180.11 2fq4 h ILE 17 N 0.40 1.18 -0.55 0.00 2.04 -1.09 -1.43 117.51 118.05 2fq4 h ILE 17 Ca 0.11 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2fq4 h ILE 17 Cb 0.13 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2fq4 h ILE 17 CO -0.01 0.19 -0.07 -0.07 0.00 0.00 0.00 178.15 178.19 2fq4 h LEU 18 N 0.50 1.02 -0.46 1.44 3.38 -1.09 -0.99 115.31 119.10 2fq4 h LEU 18 Ca 0.13 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2fq4 h LEU 18 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2fq4 h LEU 18 CO -0.02 1.11 -0.01 0.28 0.09 0.00 0.00 178.44 179.90 2fq4 h SER 19 N 0.90 0.81 -0.40 -0.43 0.02 -0.86 -2.62 113.55 110.98 2fq4 h SER 19 Ca 0.15 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2fq4 h SER 19 Cb 0.63 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2fq4 h SER 19 CO 0.04 0.93 0.25 0.00 -1.14 0.00 0.00 176.83 176.91 2fq4 h ALA 20 N 0.91 0.50 -0.78 3.77 0.00 -1.17 -0.07 119.26 122.42 2fq4 h ALA 20 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2fq4 h ALA 20 Cb 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2fq4 h ALA 20 CO 0.03 -0.03 0.43 0.66 0.00 0.00 0.00 179.25 180.34 2fq4 h SER 21 N 0.53 0.97 -0.05 0.00 4.64 -1.07 -0.83 113.55 117.75 2fq4 h SER 21 Ca 0.14 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 2fq4 h SER 21 Cb -0.04 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2fq4 h SER 21 CO -0.03 0.78 -0.88 0.22 -0.87 0.00 0.00 176.83 176.05 2fq4 h TYR 22 N 1.09 0.98 -0.03 4.77 3.20 -1.21 -1.10 116.97 124.67 2fq4 h TYR 22 Ca 0.28 -0.50 0.03 0.00 3.14 0.00 0.00 58.73 61.67 2fq4 h TYR 22 Cb 0.03 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2fq4 h TYR 22 CO 0.01 1.33 -0.13 0.93 -1.64 0.00 0.00 178.16 178.66 2fq4 h GLU 23 N 0.36 -0.19 -0.91 1.82 5.08 -0.82 -0.64 114.58 119.27 2fq4 h GLU 23 Ca -0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2fq4 h GLU 23 Cb 1.54 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 2fq4 h GLU 23 CO 0.18 -0.13 0.58 -0.07 -1.00 0.00 0.00 179.01 178.57 2fq4 h LEU 24 N -0.20 1.06 -0.10 1.33 3.38 -1.13 -1.03 115.31 118.61 2fq4 h LEU 24 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fq4 h LEU 24 Cb 0.28 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2fq4 h LEU 24 CO -0.15 0.79 0.06 0.25 0.09 0.00 0.00 178.44 179.48 2fq4 h LEU 25 N 1.24 0.12 -0.63 1.67 5.85 -0.73 -1.22 115.31 121.61 2fq4 h LEU 25 Ca 0.33 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2fq4 h LEU 25 Cb -0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2fq4 h LEU 25 CO -0.07 0.13 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.02 2fq4 h LEU 26 N 0.10 1.00 -0.15 2.25 3.38 -0.91 -0.45 115.31 120.53 2fq4 h LEU 26 Ca 0.04 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2fq4 h LEU 26 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2fq4 h LEU 26 CO -0.01 1.09 0.03 -0.33 0.09 0.00 0.00 178.44 179.31 2fq4 h GLU 27 N 0.90 0.24 0.00 1.13 5.08 -1.08 -3.40 114.58 117.45 2fq4 h GLU 27 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2fq4 h GLU 27 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2fq4 h GLU 27 CO 0.04 0.40 -0.22 -1.13 -1.00 0.00 0.00 179.01 177.10 2fq4 n SER 28 N -4.82 1.11 0.00 1.42 3.41 -0.47 -5.10 113.62 109.16 2fq4 n SER 28 Ca -0.05 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 2fq4 n SER 28 Cb 0.16 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 2fq4 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fq4 n GLY 29 N 1.17 -1.17 0.14 5.00 0.00 -0.18 -4.44 105.19 105.71 2fq4 n GLY 29 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2fq4 n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fq4 h PHE 30 N 0.00 0.37 -0.87 1.61 3.57 -1.90 -2.85 116.94 116.87 2fq4 h PHE 30 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2fq4 h PHE 30 Cb 0.00 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2fq4 h PHE 30 CO 0.00 0.29 0.57 -0.22 -2.23 0.00 0.00 178.31 176.72 2fq4 h LYS 31 N 0.35 1.04 0.00 1.11 1.63 -1.97 -2.16 116.57 116.56 2fq4 h LYS 31 Ca 0.10 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2fq4 h LYS 31 Cb 0.03 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 2fq4 h LYS 31 CO -0.02 0.69 -0.09 0.00 -3.45 0.00 0.00 179.45 176.58 2fq4 h ALA 32 N 1.50 0.97 -2.87 5.00 0.00 -1.72 -3.44 119.26 118.69 2fq4 h ALA 32 Ca 0.35 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.64 2fq4 h ALA 32 Cb 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 17.90 2fq4 h ALA 32 CO -0.11 0.12 0.72 0.08 0.00 0.00 0.00 179.25 180.06 2fq4 s VAL 33 N -3.45 2.45 0.06 0.00 1.01 -0.82 -5.01 120.40 114.65 2fq4 s VAL 33 Ca 0.03 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2fq4 s VAL 33 Cb 0.08 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2fq4 s VAL 33 CO 0.62 0.10 -0.05 0.42 0.00 0.00 0.00 175.10 176.18 2fq4 s THR 34 N -0.87 0.45 0.24 3.92 -4.23 -1.26 -5.03 115.64 108.86 2fq4 s THR 34 Ca 0.53 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 2fq4 s THR 34 Cb -0.43 -1.20 0.24 0.00 1.34 0.00 0.00 72.50 72.46 2fq4 s THR 34 CO 0.54 -0.75 1.92 0.58 -0.54 0.00 0.00 174.62 176.37 2fq4 h VAL 35 N 3.59 1.23 -0.47 2.29 2.07 -1.95 -1.86 116.25 121.16 2fq4 h VAL 35 Ca -0.35 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 66.79 2fq4 h VAL 35 Cb 1.17 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2fq4 h VAL 35 CO 0.56 0.24 0.17 0.44 0.02 0.00 0.00 177.57 179.00 2fq4 h ASP 36 N 1.30 0.18 -0.72 0.57 3.32 -1.99 -0.67 116.42 118.41 2fq4 h ASP 36 Ca 0.36 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 2fq4 h ASP 36 Cb -0.13 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2fq4 h ASP 36 CO -0.08 0.13 0.36 0.11 -1.72 0.00 0.00 179.24 178.04 2fq4 h LYS 37 N 0.34 1.04 -0.28 3.56 1.57 -1.81 -1.16 116.57 119.83 2fq4 h LYS 37 Ca 0.22 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2fq4 h LYS 37 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2fq4 h LYS 37 CO -0.23 0.79 0.04 0.82 -0.57 0.00 0.00 179.45 180.31 2fq4 h ILE 38 N 1.03 1.23 -0.35 1.86 2.04 -1.07 -1.36 117.51 120.89 2fq4 h ILE 38 Ca 0.25 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2fq4 h ILE 38 Cb 0.09 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2fq4 h ILE 38 CO -0.03 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.49 2fq4 h ALA 39 N 0.87 0.40 -0.30 1.87 0.00 -0.81 0.47 119.26 121.76 2fq4 h ALA 39 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2fq4 h ALA 39 Cb 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2fq4 h ALA 39 CO 0.01 -0.28 0.13 1.49 0.00 0.00 0.00 179.25 180.60 2fq4 h GLU 40 N 0.26 0.27 -0.36 0.00 4.81 -1.12 0.11 114.58 118.55 2fq4 h GLU 40 Ca 0.16 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 2fq4 h GLU 40 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2fq4 h GLU 40 CO -0.17 0.18 -0.42 -0.09 -0.73 0.00 0.00 179.01 177.78 2fq4 h ARG 41 N 0.27 0.89 0.00 1.92 9.65 -0.92 -2.94 114.38 123.26 2fq4 h ARG 41 Ca 0.13 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 2fq4 h ARG 41 Cb 0.07 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2fq4 h ARG 41 CO -0.11 1.13 -0.06 0.00 2.80 0.00 0.00 179.97 183.73 2fq4 n ALA 42 N -2.55 2.45 -3.62 2.80 0.00 0.13 -4.95 120.51 114.77 2fq4 n ALA 42 Ca -0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2fq4 n ALA 42 Cb 0.56 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.64 2fq4 n ALA 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fq4 n LYS 43 N -1.62 -6.24 -4.36 0.00 4.01 0.30 -4.82 118.16 105.42 2fq4 n LYS 43 Ca 0.07 0.74 -0.18 0.00 -0.51 0.00 0.00 58.31 58.43 2fq4 n LYS 43 Cb 0.35 -5.61 -0.10 0.00 -0.51 0.00 0.00 35.03 29.16 2fq4 n LYS 43 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2fq4 s VAL 44 N -3.44 0.79 0.46 -0.18 -7.23 -0.73 -5.06 120.40 105.02 2fq4 s VAL 44 Ca 0.22 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 2fq4 s VAL 44 Cb -0.10 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2fq4 s VAL 44 CO 0.77 -0.03 0.77 -0.94 -0.31 0.00 0.00 175.10 175.36 2fq4 s SER 45 N -3.36 6.32 0.44 4.85 1.04 -1.26 -4.39 113.70 117.33 2fq4 s SER 45 Ca 0.37 0.95 0.12 0.00 0.48 0.00 0.00 55.95 57.86 2fq4 s SER 45 Cb 0.08 -2.25 1.01 0.00 0.10 0.00 0.00 66.02 64.95 2fq4 s SER 45 CO 0.14 -0.53 2.05 0.11 0.98 0.00 0.00 173.24 175.99 2fq4 h LYS 46 N 0.47 0.38 -0.36 4.02 1.57 -1.93 -2.22 116.57 118.50 2fq4 h LYS 46 Ca -0.47 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 2fq4 h LYS 46 Cb 1.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2fq4 h LYS 46 CO 0.62 0.25 -0.14 0.00 -0.57 0.00 0.00 179.45 179.61 2fq4 h ALA 47 N 1.77 1.08 -0.11 3.86 0.00 -1.97 -0.11 119.26 123.78 2fq4 h ALA 47 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2fq4 h ALA 47 Cb 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2fq4 h ALA 47 CO -0.04 0.57 0.04 1.15 0.00 0.00 0.00 179.25 180.96 2fq4 h THR 48 N 0.59 1.18 -0.41 0.00 2.02 -1.80 -1.78 112.91 112.70 2fq4 h THR 48 Ca 0.10 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2fq4 h THR 48 Cb 0.58 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2fq4 h THR 48 CO 0.04 0.16 0.18 0.40 0.37 0.00 0.00 175.52 176.66 2fq4 h ILE 49 N -0.00 0.93 0.00 3.11 2.04 -1.24 0.41 117.51 122.75 2fq4 h ILE 49 Ca 0.04 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2fq4 h ILE 49 Cb 0.22 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2fq4 h ILE 49 CO -0.00 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 176.99 2fq4 n TYR 50 N -4.96 0.00 -0.11 1.37 4.01 -0.08 -1.10 117.16 116.29 2fq4 n TYR 50 Ca 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2fq4 n TYR 50 Cb 0.13 -0.23 0.25 0.00 -0.31 0.00 0.00 39.34 39.18 2fq4 n TYR 50 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2fq4 h LYS 51 N 0.00 0.78 0.00 -0.72 1.57 -0.01 -3.37 116.57 114.81 2fq4 h LYS 51 Ca 0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2fq4 h LYS 51 Cb 0.10 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2fq4 h LYS 51 CO 0.00 0.65 -1.08 0.91 -0.57 0.00 0.00 179.45 179.35 2fq4 n TRP 52 N -4.33 0.00 -3.69 -1.35 8.01 -0.50 -5.02 117.44 110.56 2fq4 n TRP 52 Ca 0.04 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.07 2fq4 n TRP 52 Cb 0.17 -0.05 -0.15 0.00 -2.01 0.00 0.00 31.31 29.26 2fq4 n TRP 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2fq4 s TRP 53 N -2.09 -0.16 0.33 -5.99 0.51 -0.25 -5.04 118.94 106.25 2fq4 s TRP 53 Ca -0.01 0.56 0.25 0.00 -2.12 0.00 0.00 56.10 54.78 2fq4 s TRP 53 Cb 0.01 -0.23 1.21 0.00 -0.81 0.00 0.00 33.47 33.65 2fq4 s TRP 53 CO 0.06 -0.24 1.97 -1.35 -0.51 0.00 0.00 176.95 176.89 2fq4 h PRO 54 N 8.07 0.00 -3.24 4.98 0.11 -1.84 -3.30 132.00 136.78 2fq4 h PRO 54 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2fq4 h PRO 54 Cb 1.12 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 2fq4 h PRO 54 CO 0.22 0.18 0.07 0.54 -0.21 0.00 0.00 178.00 178.80 2fq4 s ASN 55 N -6.25 -0.28 0.32 -2.05 4.22 -1.26 -5.00 114.94 104.64 2fq4 s ASN 55 Ca -0.02 -0.47 0.04 0.00 -2.14 0.00 0.00 52.86 50.27 2fq4 s ASN 55 Cb 0.12 0.60 0.55 0.00 1.28 0.00 0.00 41.25 43.81 2fq4 s ASN 55 CO 0.62 -1.09 1.83 0.07 -2.04 0.00 0.00 177.10 176.48 2fq4 h LYS 56 N 2.15 0.50 -0.72 3.55 2.10 -1.97 -2.84 116.57 119.35 2fq4 h LYS 56 Ca -0.28 -0.13 -0.06 0.00 -2.00 0.00 0.00 60.65 58.19 2fq4 h LYS 56 Cb 1.26 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 2fq4 h LYS 56 CO 0.35 0.59 0.22 0.00 -2.00 0.00 0.00 179.45 178.61 2fq4 h ALA 57 N 1.45 0.94 -0.04 0.07 0.00 -1.97 -1.21 119.26 118.49 2fq4 h ALA 57 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fq4 h ALA 57 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2fq4 h ALA 57 CO 0.02 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.92 2fq4 h ALA 58 N 1.11 0.05 -0.45 0.00 0.00 -1.86 -3.05 119.26 115.06 2fq4 h ALA 58 Ca 0.23 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2fq4 h ALA 58 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2fq4 h ALA 58 CO -0.01 -0.40 -0.18 -0.24 0.00 0.00 0.00 179.25 178.43 2fq4 h VAL 59 N -0.04 1.27 0.00 0.00 3.04 -1.36 -1.75 116.25 117.42 2fq4 h VAL 59 Ca 0.01 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.38 2fq4 h VAL 59 Cb 0.10 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2fq4 h VAL 59 CO -0.00 0.45 0.00 0.52 -1.01 0.00 0.00 177.57 177.53 2fq4 n VAL 60 N -4.19 0.11 0.00 1.51 0.31 -0.47 -1.05 118.33 114.55 2fq4 n VAL 60 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2fq4 n VAL 60 Cb 0.43 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2fq4 n VAL 60 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2fq4 n ASP 62 N 0.70 0.00 -0.07 4.52 9.92 -0.66 -0.90 116.55 130.06 2fq4 n ASP 62 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2fq4 n ASP 62 Cb 0.08 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 2fq4 n ASP 62 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2fq4 h GLY 63 N 0.00 0.37 0.99 0.44 0.00 -1.33 0.10 103.07 103.65 2fq4 h GLY 63 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2fq4 h GLY 63 CO 0.00 0.15 -0.22 -2.75 0.00 0.00 0.00 176.54 173.72 2fq4 h PHE 64 N 0.32 -0.56 -0.44 5.60 3.57 -1.29 -1.48 116.94 122.67 2fq4 h PHE 64 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2fq4 h PHE 64 Cb 0.01 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2fq4 h PHE 64 CO -0.05 -0.34 0.19 -0.07 -2.23 0.00 0.00 178.31 175.82 2fq4 h LEU 65 N -0.62 0.55 -0.65 0.59 3.38 -1.81 -0.50 115.31 116.26 2fq4 h LEU 65 Ca -0.06 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2fq4 h LEU 65 Cb 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2fq4 h LEU 65 CO 0.10 0.49 0.02 -1.28 0.09 0.00 0.00 178.44 177.86 2fq4 h SER 66 N 0.62 1.05 1.11 -0.43 0.87 -0.65 -3.32 113.55 112.80 2fq4 h SER 66 Ca 0.15 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 2fq4 h SER 66 Cb 0.10 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2fq4 h SER 66 CO -0.02 1.09 -0.94 0.00 -0.53 0.00 0.00 176.83 176.43 2fq4 h ALA 67 N 1.02 0.63 -2.32 6.23 0.00 -0.20 -3.47 119.26 121.14 2fq4 h ALA 67 Ca 0.18 -0.68 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 2fq4 h ALA 67 Cb 0.53 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2fq4 h ALA 67 CO 0.03 0.82 -0.52 0.00 0.00 0.00 0.00 179.25 179.58 2fq4 s ALA 68 N -2.91 3.66 -1.25 0.00 0.00 -0.30 -5.01 121.76 115.94 2fq4 s ALA 68 Ca 0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 2fq4 s ALA 68 Cb 0.08 -1.41 0.17 0.00 0.00 0.00 0.00 23.12 21.96 2fq4 s ALA 68 CO 0.78 0.32 2.18 0.00 0.00 0.00 0.00 175.76 179.04 2fq4 n ALA 69 N -1.00 6.43 0.64 0.00 0.00 -1.26 -4.65 120.51 120.67 2fq4 n ALA 69 Ca -0.08 -4.24 0.12 0.00 0.00 0.00 0.00 53.44 49.24 2fq4 n ALA 69 Cb 0.57 -2.67 0.25 0.00 0.00 0.00 0.00 19.45 17.59 2fq4 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fq4 n ALA 70 N 1.65 2.81 -2.64 0.00 0.00 -1.26 -4.80 120.51 116.27 2fq4 n ALA 70 Ca 0.55 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 2fq4 n ALA 70 Cb 0.27 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2fq4 n ALA 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2fq4 s ARG 71 N -3.13 4.06 0.21 0.00 3.52 -1.26 -5.02 118.95 117.33 2fq4 s ARG 71 Ca 0.08 1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 56.48 2fq4 s ARG 71 Cb 0.14 -3.74 -0.08 0.00 -1.56 0.00 0.00 34.95 29.71 2fq4 s ARG 71 CO 0.68 -0.90 0.84 -0.51 -0.81 0.00 0.00 175.30 174.60 2fq4 s LEU 72 N 3.64 4.57 0.74 -0.88 1.43 -1.26 -5.05 118.68 121.86 2fq4 s LEU 72 Ca 0.45 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.16 2fq4 s LEU 72 Cb -0.12 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.67 2fq4 s LEU 72 CO 0.15 0.16 1.14 -2.84 0.23 0.00 0.00 176.35 175.19 2fq4 s PRO 73 N -1.29 2.23 -0.40 1.29 0.02 -1.26 -5.00 135.00 130.59 2fq4 s PRO 73 Ca 0.39 1.48 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 2fq4 s PRO 73 Cb -0.23 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.48 2fq4 s PRO 73 CO 0.27 -1.71 0.23 0.14 -0.33 0.00 0.00 177.00 175.61 2fq4 s VAL 74 N -2.39 4.31 0.56 3.83 -7.23 -1.26 -4.86 120.40 113.36 2fq4 s VAL 74 Ca 0.68 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 2fq4 s VAL 74 Cb -0.23 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 2fq4 s VAL 74 CO 0.48 -0.39 1.06 -2.16 -0.31 0.00 0.00 175.10 173.77 2fq4 s PRO 75 N 1.47 3.46 -0.42 4.82 0.04 -1.26 -4.99 135.00 138.12 2fq4 s PRO 75 Ca 0.02 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.41 2fq4 s PRO 75 Cb -0.22 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.50 2fq4 s PRO 75 CO 0.04 -0.70 0.53 -3.47 0.04 0.00 0.00 177.00 173.44 2fq4 n ASP 76 N -1.65 -0.77 -0.58 6.66 2.03 -1.26 -4.96 116.55 116.02 2fq4 n ASP 76 Ca 0.09 -2.70 0.12 0.00 0.52 0.00 0.00 54.79 52.82 2fq4 n ASP 76 Cb 0.53 -0.07 0.41 0.00 -0.72 0.00 0.00 41.12 41.27 2fq4 n ASP 76 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2fq4 n THR 77 N 2.01 0.14 -1.69 5.18 -2.24 -1.26 -4.92 114.28 111.50 2fq4 n THR 77 Ca 0.22 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2fq4 n THR 77 Cb 0.53 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2fq4 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fq4 n GLY 78 N 1.18 1.06 2.96 3.38 0.00 -1.26 -4.96 105.19 107.55 2fq4 n GLY 78 Ca 0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2fq4 n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fq4 s SER 79 N -2.69 0.31 0.29 1.61 0.15 -1.26 -5.03 113.70 107.07 2fq4 s SER 79 Ca 0.00 0.49 -0.02 0.00 0.70 0.00 0.00 55.95 57.12 2fq4 s SER 79 Cb 0.00 0.49 0.41 0.00 -1.71 0.00 0.00 66.02 65.21 2fq4 s SER 79 CO 0.00 -0.22 1.92 0.00 1.20 0.00 0.00 173.24 176.14 2fq4 h ALA 80 N 8.02 1.33 0.34 5.45 0.00 -1.94 0.72 119.26 133.18 2fq4 h ALA 80 Ca -0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2fq4 h ALA 80 Cb 1.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2fq4 h ALA 80 CO 0.20 0.56 -0.16 1.25 0.00 0.00 0.00 179.25 181.10 2fq4 h LEU 81 N 1.05 -0.39 -0.57 0.00 5.85 -1.95 -0.59 115.31 118.70 2fq4 h LEU 81 Ca 0.27 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 2fq4 h LEU 81 Cb 0.01 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2fq4 h LEU 81 CO -0.05 -0.06 -0.45 0.78 -0.34 0.00 0.00 178.44 178.32 2fq4 h ASN 82 N -0.73 0.67 0.05 1.25 2.35 -1.95 0.52 115.58 117.74 2fq4 h ASN 82 Ca -0.05 -0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.41 2fq4 h ASN 82 Cb 0.50 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 2fq4 h ASN 82 CO 0.08 1.02 -0.32 0.44 -1.65 0.00 0.00 177.43 177.00 2fq4 h ASP 83 N 0.50 -0.95 -0.54 5.81 5.19 -0.90 -2.36 116.42 123.17 2fq4 h ASP 83 Ca 0.03 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 2fq4 h ASP 83 Cb 0.98 0.37 -0.03 0.00 0.18 0.00 0.00 39.33 40.84 2fq4 h ASP 83 CO 0.09 -0.39 0.09 0.40 -3.12 0.00 0.00 179.24 176.31 2fq4 h ILE 84 N -0.50 1.25 -0.41 0.35 1.08 -0.85 -1.27 117.51 117.15 2fq4 h ILE 84 Ca 0.05 -0.96 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 2fq4 h ILE 84 Cb 0.57 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 2fq4 h ILE 84 CO -0.23 0.35 0.09 0.25 -0.69 0.00 0.00 178.15 177.92 2fq4 h LEU 85 N 0.89 0.02 -0.24 1.44 5.85 -0.90 0.31 115.31 122.68 2fq4 h LEU 85 Ca 0.18 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 2fq4 h LEU 85 Cb 0.39 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2fq4 h LEU 85 CO 0.01 0.05 -0.17 0.40 -0.34 0.00 0.00 178.44 178.38 2fq4 h ILE 86 N 0.22 1.31 0.10 4.05 2.04 -1.17 -0.93 117.51 123.13 2fq4 h ILE 86 Ca 0.20 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2fq4 h ILE 86 Cb 0.23 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2fq4 h ILE 86 CO -0.25 0.40 -0.25 -0.74 0.00 0.00 0.00 178.15 177.31 2fq4 h HIS 87 N 0.24 -0.66 -0.42 1.37 2.76 -0.86 -0.81 115.15 116.77 2fq4 h HIS 87 Ca 0.05 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 2fq4 h HIS 87 Cb 0.70 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 2fq4 h HIS 87 CO 0.07 -0.35 -0.29 0.00 -1.30 0.00 0.00 177.93 176.06 2fq4 h ALA 88 N 0.32 0.69 -0.44 5.26 0.00 -0.37 -1.39 119.26 123.33 2fq4 h ALA 88 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2fq4 h ALA 88 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2fq4 h ALA 88 CO -0.15 0.67 0.18 1.15 0.00 0.00 0.00 179.25 181.10 2fq4 h THR 89 N 0.77 1.20 -0.65 0.00 2.02 -1.14 -0.05 112.91 115.05 2fq4 h THR 89 Ca 0.08 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2fq4 h THR 89 Cb 0.86 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2fq4 h THR 89 CO 0.08 0.22 0.27 0.77 0.37 0.00 0.00 175.52 177.23 2fq4 h SER 90 N 0.56 0.86 0.32 4.18 4.64 -0.90 0.11 113.55 123.32 2fq4 h SER 90 Ca 0.15 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2fq4 h SER 90 Cb 0.18 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2fq4 h SER 90 CO -0.01 0.76 -0.15 0.25 -0.87 0.00 0.00 176.83 176.80 2fq4 h LEU 91 N 0.93 -0.37 -0.86 5.97 5.85 -1.07 -1.46 115.31 124.30 2fq4 h LEU 91 Ca 0.22 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2fq4 h LEU 91 Cb 0.16 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2fq4 h LEU 91 CO -0.02 -0.20 0.54 0.00 -0.34 0.00 0.00 178.44 178.41 2fq4 h ALA 92 N 0.16 1.17 -0.64 1.25 0.00 -0.68 -0.91 119.26 119.61 2fq4 h ALA 92 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2fq4 h ALA 92 Cb 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2fq4 h ALA 92 CO 0.07 0.31 0.20 -0.91 0.00 0.00 0.00 179.25 178.92 2fq4 h ASN 93 N 1.00 0.90 -0.29 0.00 2.35 -0.65 -2.20 115.58 116.69 2fq4 h ASN 93 Ca 0.37 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2fq4 h ASN 93 Cb 0.14 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2fq4 h ASN 93 CO -0.16 0.85 0.13 0.15 -1.65 0.00 0.00 177.43 176.75 2fq4 h PHE 94 N 0.94 0.42 -0.33 1.19 3.57 -0.27 -2.88 116.94 119.58 2fq4 h PHE 94 Ca 0.21 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2fq4 h PHE 94 Cb 0.27 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2fq4 h PHE 94 CO 0.02 0.39 0.13 -0.07 -2.23 0.00 0.00 178.31 176.55 2fq4 h LEU 95 N 0.33 0.42 0.00 0.59 3.38 -0.64 -1.45 115.31 117.94 2fq4 h LEU 95 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2fq4 h LEU 95 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2fq4 h LEU 95 CO -0.01 0.38 -0.33 0.16 0.09 0.00 0.00 178.44 178.73 2fq4 h ILE 96 N 0.47 0.00 -4.23 1.22 3.07 -1.42 -3.19 117.51 113.43 2fq4 h ILE 96 Ca 0.12 -0.54 -0.53 0.00 1.55 0.00 0.00 64.86 65.46 2fq4 h ILE 96 Cb 0.10 1.33 0.17 0.00 -0.27 0.00 0.00 36.82 38.14 2fq4 h ILE 96 CO -0.01 0.00 0.32 -0.94 -1.05 0.00 0.00 178.15 176.47 2fq4 s SER 97 N -4.54 3.78 0.23 2.16 1.04 -0.55 -4.79 113.70 111.02 2fq4 s SER 97 Ca 0.08 2.22 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2fq4 s SER 97 Cb 0.12 -2.57 0.34 0.00 0.10 0.00 0.00 66.02 64.01 2fq4 s SER 97 CO 0.67 -2.53 1.77 0.03 0.98 0.00 0.00 173.24 174.15 2fq4 h ARG 98 N -0.99 0.56 -0.15 4.02 2.47 -1.90 -1.05 114.38 117.34 2fq4 h ARG 98 Ca -0.45 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 2fq4 h ARG 98 Cb 1.28 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 2fq4 h ARG 98 CO 0.47 0.37 0.07 0.93 0.56 0.00 0.00 179.97 182.36 2fq4 h GLU 99 N 0.57 0.22 -0.08 0.04 3.07 -1.92 -2.93 114.58 113.56 2fq4 h GLU 99 Ca 0.35 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 2fq4 h GLU 99 Cb 0.39 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2fq4 h GLU 99 CO -0.28 0.30 0.13 0.78 -1.40 0.00 0.00 179.01 178.53 2fq4 h GLY 100 N 0.10 0.00 2.00 -3.84 0.00 -1.22 -2.48 103.07 97.64 2fq4 h GLY 100 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2fq4 h GLY 100 CO -0.01 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.62 2fq4 h THR 101 N 0.00 0.00 0.00 4.70 1.35 -1.04 -2.20 112.91 115.72 2fq4 h THR 101 Ca 0.04 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 2fq4 h THR 101 Cb 0.29 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2fq4 h THR 101 CO -0.00 0.00 -0.11 0.40 -0.25 0.00 0.00 175.52 175.56 2fq4 h ILE 102 N 0.00 0.97 -0.57 6.82 2.04 -1.60 -2.94 117.51 122.23 2fq4 h ILE 102 Ca 0.00 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2fq4 h ILE 102 Cb 0.32 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2fq4 h ILE 102 CO 0.00 0.11 0.37 0.40 0.00 0.00 0.00 178.15 179.03 2fq4 h ILE 103 N 0.00 1.12 -0.32 -0.67 1.08 -1.61 -0.59 117.51 116.52 2fq4 h ILE 103 Ca -0.00 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.29 2fq4 h ILE 103 Cb 0.21 0.31 -0.08 0.00 -3.07 0.00 0.00 36.82 34.20 2fq4 h ILE 103 CO 0.01 0.14 -0.20 0.78 -0.69 0.00 0.00 178.15 178.20 2fq4 h ASN 104 N 0.75 -0.65 -0.46 1.72 2.35 -1.71 -0.71 115.58 116.86 2fq4 h ASN 104 Ca 0.21 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 2fq4 h ASN 104 Cb -0.06 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2fq4 h ASN 104 CO -0.06 -0.23 0.21 -0.33 -1.65 0.00 0.00 177.43 175.38 2fq4 h GLU 105 N -0.15 0.67 -0.34 0.81 5.08 -1.51 0.85 114.58 119.99 2fq4 h GLU 105 Ca 0.17 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2fq4 h GLU 105 Cb 0.41 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2fq4 h GLU 105 CO -0.42 0.58 0.01 -0.07 -1.00 0.00 0.00 179.01 178.11 2fq4 h LEU 106 N 0.60 0.58 -0.92 1.33 3.38 -0.79 -1.10 115.31 118.40 2fq4 h LEU 106 Ca 0.16 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2fq4 h LEU 106 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2fq4 h LEU 106 CO -0.02 0.74 0.06 0.58 0.09 0.00 0.00 178.44 179.89 2fq4 h VAL 107 N 0.40 1.24 0.16 1.22 2.07 -1.04 0.13 116.25 120.43 2fq4 h VAL 107 Ca 0.10 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2fq4 h VAL 107 Cb 0.44 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2fq4 h VAL 107 CO 0.02 0.34 -0.14 1.23 0.02 0.00 0.00 177.57 179.04 2fq4 h GLY 108 N 0.99 -0.31 1.56 2.17 0.00 -0.63 -2.29 103.07 104.55 2fq4 h GLY 108 Ca 0.16 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 2fq4 h GLY 108 CO 0.01 -0.14 0.27 0.83 0.00 0.00 0.00 176.54 177.51 2fq4 h GLU 109 N -0.32 0.59 0.00 4.80 4.39 -0.93 -2.86 114.58 120.26 2fq4 h GLU 109 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2fq4 h GLU 109 Cb 0.30 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2fq4 h GLU 109 CO -0.03 0.41 0.00 0.78 -1.16 0.00 0.00 179.01 179.01 2fq4 h GLY 110 N 0.64 0.00 2.00 -3.84 0.00 -0.17 -1.52 103.07 100.18 2fq4 h GLY 110 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2fq4 h GLY 110 CO -0.03 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 177.91 2fq4 h GLN 111 N 0.00 0.00 -0.00 4.80 1.08 -1.25 -3.10 115.11 116.64 2fq4 h GLN 111 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2fq4 h GLN 111 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2fq4 h GLN 111 CO 0.00 0.05 -0.21 1.19 -0.95 0.00 0.00 178.83 178.91 2fq4 n PHE 112 N -3.27 0.00 -3.50 2.96 3.72 -0.62 -4.92 117.46 111.84 2fq4 n PHE 112 Ca -0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 2fq4 n PHE 112 Cb 0.24 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.65 2fq4 n PHE 112 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2fq4 s ASP 113 N -1.31 3.17 0.54 4.37 -1.08 -0.92 -4.99 116.67 116.45 2fq4 s ASP 113 Ca 0.04 -1.62 0.32 0.00 -0.52 0.00 0.00 52.55 50.77 2fq4 s ASP 113 Cb 0.05 -0.30 1.45 0.00 -1.46 0.00 0.00 42.92 42.66 2fq4 s ASP 113 CO 0.21 -0.38 2.03 0.77 0.52 0.00 0.00 175.17 178.32 2fq4 h SER 114 N 7.83 0.00 -0.29 -0.34 4.64 -1.89 -2.59 113.55 120.90 2fq4 h SER 114 Ca -0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2fq4 h SER 114 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2fq4 h SER 114 CO 0.36 0.08 -0.03 0.11 -0.87 0.00 0.00 176.83 176.48 2fq4 h LYS 115 N 0.00 0.54 -0.42 4.77 1.57 -1.94 -1.01 116.57 120.07 2fq4 h LYS 115 Ca -0.00 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2fq4 h LYS 115 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2fq4 h LYS 115 CO 0.01 0.71 0.19 1.25 -0.57 0.00 0.00 179.45 181.03 2fq4 h LEU 116 N 0.32 0.57 -0.67 2.94 5.85 -1.87 -2.68 115.31 119.76 2fq4 h LEU 116 Ca 0.08 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2fq4 h LEU 116 Cb 0.48 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2fq4 h LEU 116 CO 0.02 0.56 0.44 0.00 -0.34 0.00 0.00 178.44 179.12 2fq4 h ALA 117 N 1.03 0.86 -0.60 1.25 0.00 -1.34 -0.64 119.26 119.82 2fq4 h ALA 117 Ca 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2fq4 h ALA 117 Cb 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2fq4 h ALA 117 CO -0.01 0.25 0.28 1.49 0.00 0.00 0.00 179.25 181.25 2fq4 h GLU 118 N 0.88 0.50 -0.14 0.00 4.57 -1.08 -1.00 114.58 118.31 2fq4 h GLU 118 Ca 0.26 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2fq4 h GLU 118 Cb -0.06 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2fq4 h GLU 118 CO -0.07 0.33 0.09 0.93 -1.18 0.00 0.00 179.01 179.11 2fq4 h GLU 119 N 0.52 0.19 0.00 1.92 4.39 -0.93 -2.48 114.58 118.19 2fq4 h GLU 119 Ca 0.28 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 2fq4 h GLU 119 Cb 0.26 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2fq4 h GLU 119 CO -0.23 0.16 -0.55 0.10 -1.16 0.00 0.00 179.01 177.33 2fq4 h TYR 120 N 0.17 0.00 -0.18 4.33 -0.00 -0.87 -0.14 116.97 120.28 2fq4 h TYR 120 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.77 2fq4 h TYR 120 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.74 2fq4 h TYR 120 CO -0.06 0.55 0.05 0.00 -0.00 0.00 0.00 178.16 178.71 2fq4 h ARG 121 N 0.00 0.28 0.20 0.10 3.08 -1.04 -1.04 114.38 115.96 2fq4 h ARG 121 Ca -0.01 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.66 2fq4 h ARG 121 Cb 1.07 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.10 2fq4 h ARG 121 CO 0.07 0.40 -1.45 -0.39 -1.07 0.00 0.00 179.97 177.53 2fq4 h VAL 122 N 0.11 1.30 0.02 2.04 -1.51 -1.40 0.75 116.25 117.56 2fq4 h VAL 122 Ca 0.06 -2.80 -0.30 0.00 -1.23 0.00 0.00 66.70 62.43 2fq4 h VAL 122 Cb 0.23 2.96 -0.05 0.00 -2.13 0.00 0.00 31.29 32.31 2fq4 h VAL 122 CO -0.00 0.84 -1.77 0.54 -1.23 0.00 0.00 177.57 175.95 2fq4 n ARG 123 N -3.62 0.65 -0.05 5.19 1.74 -0.07 -4.25 116.66 116.25 2fq4 n ARG 123 Ca -0.15 0.29 -0.06 0.00 -0.77 0.00 0.00 57.85 57.16 2fq4 n ARG 123 Cb 1.07 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 2fq4 n ARG 123 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2fq4 n TYR 124 N -3.10 0.00 -0.04 -1.55 9.36 -0.63 -4.71 117.16 116.48 2fq4 n TYR 124 Ca -0.19 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.90 2fq4 n TYR 124 Cb 1.05 -0.32 -0.07 0.00 -0.63 0.00 0.00 39.34 39.37 2fq4 n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2fq4 h PHE 125 N -0.65 0.30 -0.15 2.98 0.04 -1.28 -3.23 116.94 114.95 2fq4 h PHE 125 Ca 0.00 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.73 2fq4 h PHE 125 Cb 0.65 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 2fq4 h PHE 125 CO -0.28 0.63 -0.15 0.37 -0.60 0.00 0.00 178.31 178.28 2fq4 h GLN 126 N -0.11 -0.17 -0.49 1.51 -0.00 -1.02 -0.82 115.11 114.01 2fq4 h GLN 126 Ca 0.02 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 2fq4 h GLN 126 Cb 0.56 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 2fq4 h GLN 126 CO 0.02 -0.12 0.33 -1.35 0.00 0.00 0.00 178.83 177.71 2fq4 h PRO 127 N -0.18 0.64 -0.18 -2.39 0.11 -1.74 0.18 132.00 128.44 2fq4 h PRO 127 Ca 0.10 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.98 2fq4 h PRO 127 Cb 0.33 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.30 2fq4 h PRO 127 CO -0.26 0.42 -0.66 0.00 -0.21 0.00 0.00 178.00 177.29 2fq4 h ARG 128 N 0.66 0.77 -0.62 1.05 2.47 -1.46 -2.68 114.38 114.56 2fq4 h ARG 128 Ca 0.18 -0.58 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 2fq4 h ARG 128 Cb -0.06 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 2fq4 h ARG 128 CO -0.04 1.20 0.32 0.00 0.56 0.00 0.00 179.97 182.01 2fq4 h ARG 129 N 0.49 0.88 -0.82 0.04 3.08 -0.81 -2.31 114.38 114.93 2fq4 h ARG 129 Ca -0.03 -0.11 0.17 0.00 0.07 0.00 0.00 59.98 60.08 2fq4 h ARG 129 Cb 1.29 -0.17 -0.11 0.00 0.08 0.00 0.00 29.97 31.06 2fq4 h ARG 129 CO 0.14 0.69 0.35 1.25 -1.07 0.00 0.00 179.97 181.32 2fq4 h LEU 130 N 0.85 0.32 -0.67 3.04 5.85 -0.56 -0.15 115.31 123.99 2fq4 h LEU 130 Ca 0.22 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 2fq4 h LEU 130 Cb 0.07 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2fq4 h LEU 130 CO -0.03 0.07 0.27 1.56 -0.34 0.00 0.00 178.44 179.98 2fq4 h GLN 131 N 0.45 1.00 -0.81 1.25 4.20 -1.08 -1.99 115.11 118.13 2fq4 h GLN 131 Ca 0.48 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 2fq4 h GLN 131 Cb 0.80 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 2fq4 h GLN 131 CO -0.45 0.83 0.33 0.00 -0.67 0.00 0.00 178.83 178.87 2fq4 h ALA 132 N 1.12 1.05 -0.76 3.87 0.00 -0.82 -2.68 119.26 121.04 2fq4 h ALA 132 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fq4 h ALA 132 Cb 0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2fq4 h ALA 132 CO -0.02 0.67 0.48 -0.22 0.00 0.00 0.00 179.25 180.16 2fq4 h LYS 133 N 1.17 0.92 -0.82 0.00 3.64 -0.65 -1.91 116.57 118.92 2fq4 h LYS 133 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2fq4 h LYS 133 Cb 0.21 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2fq4 h LYS 133 CO -0.02 0.61 0.44 1.96 -2.27 0.00 0.00 179.45 180.17 2fq4 h GLN 134 N 0.95 1.14 -0.45 1.90 4.20 -1.09 0.27 115.11 122.02 2fq4 h GLN 134 Ca 0.30 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 2fq4 h GLN 134 Cb 0.00 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 2fq4 h GLN 134 CO -0.11 0.85 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.66 2fq4 h LEU 135 N 1.14 0.94 -0.47 1.46 3.38 -1.25 -2.52 115.31 117.99 2fq4 h LEU 135 Ca 0.29 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2fq4 h LEU 135 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2fq4 h LEU 135 CO -0.04 1.11 -0.01 -0.07 0.09 0.00 0.00 178.44 179.52 2fq4 h LEU 136 N 0.76 0.83 -2.14 1.67 3.38 -1.03 -2.76 115.31 116.01 2fq4 h LEU 136 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2fq4 h LEU 136 Cb 0.74 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2fq4 h LEU 136 CO 0.06 0.94 -0.06 -0.33 0.09 0.00 0.00 178.44 179.14 2fq4 h GLU 137 N 0.69 0.00 -0.17 1.13 5.08 -0.89 0.12 114.58 120.55 2fq4 h GLU 137 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2fq4 h GLU 137 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2fq4 h GLU 137 CO 0.03 0.06 -0.06 0.87 -1.00 0.00 0.00 179.01 178.91 2fq4 h LYS 138 N 0.00 0.33 -0.96 2.33 1.57 -1.20 -2.77 116.57 115.87 2fq4 h LYS 138 Ca -0.00 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2fq4 h LYS 138 Cb 0.14 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2fq4 h LYS 138 CO 0.01 0.62 0.64 0.78 -0.57 0.00 0.00 179.45 180.93 2fq4 h GLY 139 N 0.03 1.36 0.90 3.86 0.00 -0.88 0.55 103.07 108.89 2fq4 h GLY 139 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2fq4 h GLY 139 CO 0.02 0.48 -0.10 -2.22 0.00 0.00 0.00 176.54 174.72 2fq4 h ILE 140 N 1.29 0.83 0.00 2.60 2.04 -1.08 -2.04 117.51 121.15 2fq4 h ILE 140 Ca 0.36 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2fq4 h ILE 140 Cb -0.13 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2fq4 h ILE 140 CO -0.08 0.05 0.00 2.29 0.00 0.00 0.00 178.15 180.41 2fq4 n LYS 141 N -5.17 0.19 0.04 2.37 2.85 -1.05 -1.06 118.16 116.33 2fq4 n LYS 141 Ca -0.09 0.36 0.14 0.00 -1.05 0.00 0.00 58.31 57.66 2fq4 n LYS 141 Cb 0.17 -1.82 0.52 0.00 -0.65 0.00 0.00 35.03 33.25 2fq4 n LYS 141 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2fq4 n ARG 142 N -2.17 0.09 -2.16 -1.58 0.63 0.16 -4.95 116.66 106.68 2fq4 n ARG 142 Ca 0.03 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.93 2fq4 n ARG 142 Cb 0.27 -1.60 -0.01 0.00 0.45 0.00 0.00 32.46 31.57 2fq4 n ARG 142 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fq4 n GLY 143 N 1.43 -0.00 0.10 5.14 0.00 -0.22 -4.93 105.19 106.71 2fq4 n GLY 143 Ca 0.06 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.69 2fq4 n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fq4 n GLU 144 N -2.04 2.46 -3.36 1.61 0.28 -0.83 -5.03 120.64 113.73 2fq4 n GLU 144 Ca -0.12 -0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 56.44 2fq4 n GLU 144 Cb 0.58 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.32 2fq4 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2fq4 s LEU 145 N -2.37 3.30 0.37 -1.84 1.43 -1.23 -5.02 118.68 113.32 2fq4 s LEU 145 Ca 0.07 -0.76 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 2fq4 s LEU 145 Cb 0.10 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 2fq4 s LEU 145 CO 0.47 -0.89 1.16 1.17 0.23 0.00 0.00 176.35 178.49 2fq4 n LYS 146 N -1.80 1.73 -1.68 1.70 4.81 -1.26 -4.94 118.16 116.72 2fq4 n LYS 146 Ca 0.06 0.61 -0.48 0.00 -0.87 0.00 0.00 58.31 57.63 2fq4 n LYS 146 Cb 0.61 -2.18 -0.05 0.00 0.02 0.00 0.00 35.03 33.44 2fq4 n LYS 146 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2fq4 n GLU 147 N 0.35 2.19 -3.54 1.64 0.28 -1.26 -2.99 120.64 117.30 2fq4 n GLU 147 Ca 0.07 0.80 -0.25 0.00 -0.16 0.00 0.00 57.16 57.63 2fq4 n GLU 147 Cb 0.37 -2.65 0.05 0.00 1.43 0.00 0.00 31.44 30.64 2fq4 n GLU 147 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2fq4 n ASN 148 N 6.66 -5.25 -4.74 -1.84 5.03 -1.26 -4.93 115.26 108.93 2fq4 n ASN 148 Ca 0.23 -0.89 -0.41 0.00 0.87 0.00 0.00 54.58 54.37 2fq4 n ASN 148 Cb 0.30 -4.09 -0.03 0.00 -1.02 0.00 0.00 39.78 34.94 2fq4 n ASN 148 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2fq4 s LEU 149 N -6.13 4.40 -0.68 3.41 2.96 -1.16 -4.96 118.68 116.52 2fq4 s LEU 149 Ca 0.41 2.51 -0.22 0.00 -0.22 0.00 0.00 54.13 56.61 2fq4 s LEU 149 Cb -0.11 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.04 2fq4 s LEU 149 CO 0.81 -0.60 0.97 -0.62 -1.32 0.00 0.00 176.35 175.60 2fq4 s ASP 150 N 0.36 6.22 0.11 3.68 -1.08 -1.26 -4.92 116.67 119.77 2fq4 s ASP 150 Ca 0.58 -1.11 -0.25 0.00 -0.52 0.00 0.00 52.55 51.26 2fq4 s ASP 150 Cb -0.39 -2.41 -0.07 0.00 -1.46 0.00 0.00 42.92 38.58 2fq4 s ASP 150 CO 0.40 -1.40 1.67 0.40 0.52 0.00 0.00 175.17 176.76 2fq4 h ILE 151 N 5.97 0.58 -0.86 4.11 2.04 -1.99 -0.75 117.51 126.61 2fq4 h ILE 151 Ca -0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2fq4 h ILE 151 Cb 1.07 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2fq4 h ILE 151 CO 1.18 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 179.49 2fq4 h GLU 152 N -0.31 1.19 -0.62 2.37 4.39 -1.99 -0.35 114.58 119.25 2fq4 h GLU 152 Ca 0.04 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2fq4 h GLU 152 Cb 0.36 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2fq4 h GLU 152 CO -0.14 0.85 0.16 1.25 -1.16 0.00 0.00 179.01 179.98 2fq4 h LEU 153 N 1.19 0.90 -0.91 1.33 5.85 -1.93 -1.57 115.31 120.17 2fq4 h LEU 153 Ca 0.31 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2fq4 h LEU 153 Cb -0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2fq4 h LEU 153 CO -0.05 0.87 0.12 0.28 -0.34 0.00 0.00 178.44 179.32 2fq4 h SER 154 N 0.92 0.87 -0.33 1.25 0.02 -0.03 -1.38 113.55 114.87 2fq4 h SER 154 Ca 0.20 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 2fq4 h SER 154 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2fq4 h SER 154 CO -0.00 0.86 -0.31 0.40 -1.14 0.00 0.00 176.83 176.64 2fq4 h ILE 155 N 0.88 1.28 -0.79 3.27 2.04 -0.92 -2.78 117.51 120.48 2fq4 h ILE 155 Ca 0.19 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.66 2fq4 h ILE 155 Cb 0.35 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2fq4 h ILE 155 CO 0.00 0.49 0.52 0.44 0.00 0.00 0.00 178.15 179.60 2fq4 h ASP 156 N 0.72 0.72 0.28 1.72 3.32 -0.66 0.12 116.42 122.63 2fq4 h ASP 156 Ca 0.08 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2fq4 h ASP 156 Cb 0.86 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 2fq4 h ASP 156 CO 0.08 0.45 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.82 2fq4 h LEU 157 N 0.81 0.00 0.00 1.55 3.38 -0.98 0.22 115.31 120.29 2fq4 h LEU 157 Ca 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.10 2fq4 h LEU 157 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2fq4 h LEU 157 CO -0.13 0.15 -1.57 -0.38 0.09 0.00 0.00 178.44 176.61 2fq4 n ILE 158 N -3.93 1.51 -0.23 1.22 5.41 -0.77 -4.35 119.36 118.22 2fq4 n ILE 158 Ca -0.02 -0.08 -0.07 0.00 1.00 0.00 0.00 62.75 63.58 2fq4 n ILE 158 Cb 0.24 -2.12 0.04 0.00 -0.71 0.00 0.00 39.64 37.09 2fq4 n ILE 158 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2fq4 h TYR 159 N -1.00 0.98 0.16 1.39 -1.99 -0.90 -3.12 116.97 112.49 2fq4 h TYR 159 Ca -0.34 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.33 2fq4 h TYR 159 Cb 1.22 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 39.61 2fq4 h TYR 159 CO -0.16 0.77 -0.45 0.78 -0.00 0.00 0.00 178.16 179.10 2fq4 h GLY 160 N 0.91 -0.95 1.01 3.88 0.00 -1.11 -1.27 103.07 105.53 2fq4 h GLY 160 Ca 0.22 0.54 0.09 0.00 0.00 0.00 0.00 47.33 48.18 2fq4 h GLY 160 CO -0.02 -0.28 0.44 -2.55 0.00 0.00 0.00 176.54 174.13 2fq4 h PRO 161 N -0.71 0.53 0.36 4.80 0.11 -1.75 0.22 132.00 135.56 2fq4 h PRO 161 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2fq4 h PRO 161 Cb 0.72 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2fq4 h PRO 161 CO -0.24 0.35 -0.17 0.82 -0.21 0.00 0.00 178.00 178.55 2fq4 h ILE 162 N 0.55 0.65 -0.08 4.15 2.04 -1.33 -1.11 117.51 122.38 2fq4 h ILE 162 Ca 0.30 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 2fq4 h ILE 162 Cb 0.46 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2fq4 h ILE 162 CO -0.10 0.04 -0.55 -0.26 0.00 0.00 0.00 178.15 177.29 2fq4 h PHE 163 N -0.59 0.29 -0.16 1.37 0.04 -1.08 -1.31 116.94 115.50 2fq4 h PHE 163 Ca -0.05 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.64 2fq4 h PHE 163 Cb 0.44 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2fq4 h PHE 163 CO -0.03 0.73 0.00 -0.92 -0.60 0.00 0.00 178.31 177.50 2fq4 h TYR 164 N 0.18 0.00 -0.50 -0.55 3.20 -0.91 0.83 116.97 119.22 2fq4 h TYR 164 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2fq4 h TYR 164 Cb 1.02 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 2fq4 h TYR 164 CO 0.02 -0.01 0.32 -0.09 -1.64 0.00 0.00 178.16 176.75 2fq4 h ARG 165 N 0.06 0.67 -0.16 1.82 2.43 -0.89 0.10 114.38 118.42 2fq4 h ARG 165 Ca 0.07 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2fq4 h ARG 165 Cb 0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2fq4 h ARG 165 CO -0.12 0.47 0.09 1.25 -1.51 0.00 0.00 179.97 180.14 2fq4 h LEU 166 N 0.68 0.20 0.06 3.80 5.85 -0.99 -2.65 115.31 122.25 2fq4 h LEU 166 Ca 0.18 -0.08 -0.32 0.00 0.84 0.00 0.00 57.88 58.50 2fq4 h LEU 166 Cb -0.05 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2fq4 h LEU 166 CO -0.04 0.22 -1.81 -0.07 -0.34 0.00 0.00 178.44 176.40 2fq4 h LEU 167 N 0.16 0.20 0.00 2.25 3.38 -0.80 -3.42 115.31 117.06 2fq4 h LEU 167 Ca 0.06 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 2fq4 h LEU 167 Cb 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fq4 h LEU 167 CO -0.01 1.38 -1.19 0.52 0.09 0.00 0.00 178.44 179.23 2fq4 n VAL 168 N -3.25 1.10 0.06 1.22 0.31 0.33 -4.83 118.33 113.28 2fq4 n VAL 168 Ca -0.23 0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.09 2fq4 n VAL 168 Cb 1.05 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.05 2fq4 n VAL 168 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2fq4 h THR 169 N -0.54 1.16 -0.14 2.52 1.35 -1.56 -3.48 112.91 112.22 2fq4 h THR 169 Ca -0.19 -2.77 -0.06 0.00 -0.55 0.00 0.00 66.41 62.84 2fq4 h THR 169 Cb 0.94 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.88 2fq4 h THR 169 CO -0.12 0.66 -0.05 0.61 -0.25 0.00 0.00 175.52 176.37 2fq4 n GLY 170 N 1.36 0.50 3.81 5.82 0.00 -1.00 -5.01 105.19 110.67 2fq4 n GLY 170 Ca -0.04 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2fq4 n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fq4 s GLU 171 N -1.55 2.53 -0.01 1.61 0.41 -1.26 -4.96 118.70 115.47 2fq4 s GLU 171 Ca 0.00 0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 55.12 2fq4 s GLU 171 Cb 0.00 -1.95 -0.07 0.00 -1.78 0.00 0.00 34.13 30.33 2fq4 s GLU 171 CO 0.00 -1.36 1.74 0.21 -0.49 0.00 0.00 175.26 175.36 2fq4 s LYS 172 N -5.07 4.17 -0.81 1.61 2.20 -1.26 -4.82 119.74 115.76 2fq4 s LYS 172 Ca 0.59 2.33 -0.13 0.00 -0.36 0.00 0.00 55.97 58.40 2fq4 s LYS 172 Cb -0.15 -3.99 0.21 0.00 -1.51 0.00 0.00 37.83 32.40 2fq4 s LYS 172 CO 0.55 -0.86 0.74 -1.17 -0.36 0.00 0.00 175.35 174.25 2fq4 s LEU 173 N 4.00 6.59 0.48 5.43 2.96 -1.26 -4.91 118.68 131.98 2fq4 s LEU 173 Ca 0.78 -2.74 0.03 0.00 -0.22 0.00 0.00 54.13 51.98 2fq4 s LEU 173 Cb -0.37 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2fq4 s LEU 173 CO 0.33 -0.54 0.04 1.51 -1.32 0.00 0.00 176.35 176.37 2fq4 s ASP 174 N 1.96 4.11 0.25 3.68 1.47 -1.26 -4.88 116.67 121.99 2fq4 s ASP 174 Ca 0.18 -1.52 -0.06 0.00 1.18 0.00 0.00 52.55 52.33 2fq4 s ASP 174 Cb -0.11 0.20 0.25 0.00 -0.34 0.00 0.00 42.92 42.91 2fq4 s ASP 174 CO -0.08 -0.74 1.92 0.44 0.68 0.00 0.00 175.17 177.39 2fq4 h ASP 175 N 1.44 1.12 -0.35 2.11 5.19 -1.95 -2.42 116.42 121.56 2fq4 h ASP 175 Ca -0.43 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 2fq4 h ASP 175 Cb 1.29 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2fq4 h ASP 175 CO 0.75 0.81 0.04 0.77 -3.12 0.00 0.00 179.24 178.49 2fq4 h SER 176 N 1.32 0.57 -0.16 6.45 4.64 -1.99 -0.09 113.55 124.30 2fq4 h SER 176 Ca 0.36 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.44 2fq4 h SER 176 Cb -0.15 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 2fq4 h SER 176 CO -0.08 0.70 -0.05 0.22 -0.87 0.00 0.00 176.83 176.75 2fq4 h TYR 177 N 0.42 -0.12 -0.64 4.77 3.20 -1.88 -1.83 116.97 120.89 2fq4 h TYR 177 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2fq4 h TYR 177 Cb 0.39 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2fq4 h TYR 177 CO 0.03 -0.09 0.28 0.28 -1.64 0.00 0.00 178.16 177.02 2fq4 h VAL 178 N -0.02 1.22 0.06 1.81 2.07 -1.21 -0.15 116.25 120.03 2fq4 h VAL 178 Ca 0.08 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2fq4 h VAL 178 Cb 0.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2fq4 h VAL 178 CO -0.17 0.27 -0.18 -0.74 0.02 0.00 0.00 177.57 176.76 2fq4 h HIS 179 N 0.92 -0.48 -0.78 1.57 -0.00 -0.72 -0.78 115.15 114.87 2fq4 h HIS 179 Ca 0.22 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2fq4 h HIS 179 Cb 0.15 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 2fq4 h HIS 179 CO 0.01 -0.27 0.38 -0.44 -0.00 0.00 0.00 177.93 177.62 2fq4 h ASP 180 N -0.33 1.02 -0.32 3.26 3.32 -0.73 -1.81 116.42 120.83 2fq4 h ASP 180 Ca 0.04 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2fq4 h ASP 180 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2fq4 h ASP 180 CO -0.13 0.86 0.18 0.25 -1.72 0.00 0.00 179.24 178.68 2fq4 h LEU 181 N 1.10 0.29 -0.29 1.55 5.85 -0.89 -1.03 115.31 121.90 2fq4 h LEU 181 Ca 0.27 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2fq4 h LEU 181 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2fq4 h LEU 181 CO -0.04 0.22 0.01 0.58 -0.34 0.00 0.00 178.44 178.87 2fq4 h VAL 182 N 0.38 1.25 -0.38 1.05 2.07 -0.72 -1.01 116.25 118.89 2fq4 h VAL 182 Ca 0.13 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2fq4 h VAL 182 Cb 0.00 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2fq4 h VAL 182 CO -0.06 0.29 0.25 0.40 0.02 0.00 0.00 177.57 178.47 2fq4 h ILE 183 N 0.29 1.10 -0.04 4.57 2.04 -1.23 -1.09 117.51 123.15 2fq4 h ILE 183 Ca 0.08 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2fq4 h ILE 183 Cb 0.40 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2fq4 h ILE 183 CO 0.01 0.09 -0.45 0.78 0.00 0.00 0.00 178.15 178.59 2fq4 h ASN 184 N 0.51 0.10 0.26 1.72 -0.26 -1.10 0.41 115.58 117.22 2fq4 h ASN 184 Ca 0.14 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 2fq4 h ASN 184 Cb -0.06 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2fq4 h ASN 184 CO -0.03 0.54 -0.41 0.00 -1.06 0.00 0.00 177.43 176.47 2fq4 h ALA 185 N 1.47 1.14 -0.04 -0.83 0.00 -0.76 0.28 119.26 120.51 2fq4 h ALA 185 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2fq4 h ALA 185 Cb 0.83 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2fq4 h ALA 185 CO 0.06 0.58 -0.40 0.74 0.00 0.00 0.00 179.25 180.23 2fq4 h PHE 186 N 0.17 0.47 0.02 0.00 -1.00 -0.31 -3.36 116.94 112.94 2fq4 h PHE 186 Ca 0.01 -0.23 -0.23 0.00 2.81 0.00 0.00 57.97 60.33 2fq4 h PHE 186 Cb 0.80 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2fq4 h PHE 186 CO 0.01 1.01 -0.99 0.93 -1.61 0.00 0.00 178.31 177.66 2fq4 h GLU 187 N -0.19 0.39 -0.24 1.51 4.39 -0.12 -3.50 114.58 116.82 2fq4 h GLU 187 Ca -0.04 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.23 2fq4 h GLU 187 Cb 1.09 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2fq4 h GLU 187 CO 0.08 1.13 -0.08 0.41 -1.16 0.00 0.00 179.01 179.39 2fq4 n GLY 188 N 1.03 -2.34 0.05 -3.84 0.00 0.96 -4.71 105.19 96.34 2fq4 n GLY 188 Ca -0.07 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.62 2fq4 n GLY 188 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fq4 n ILE 189 N -2.39 0.28 -2.33 -0.61 -5.35 -1.26 -4.88 119.36 102.82 2fq4 n ILE 189 Ca -0.00 -0.25 -0.40 0.00 -0.27 0.00 0.00 62.75 61.82 2fq4 n ILE 189 Cb 0.05 -0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 2fq4 n ILE 189 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2fq4 s ARG 190 N -3.17 4.44 0.34 6.28 3.52 -1.26 -4.97 118.95 124.13 2fq4 s ARG 190 Ca 0.06 1.93 -0.29 0.00 -0.13 0.00 0.00 55.73 57.30 2fq4 s ARG 190 Cb 0.14 -3.05 -0.12 0.00 -1.56 0.00 0.00 34.95 30.37 2fq4 s ARG 190 CO 0.74 -0.01 1.46 -0.11 -0.81 0.00 0.00 175.30 176.57 2fq4 n LEU 191 N 0.84 4.30 -0.92 -0.88 7.94 -1.26 -5.12 117.00 121.89 2fq4 n LEU 191 Ca 0.00 1.20 0.12 0.00 -1.11 0.00 0.00 56.01 56.22 2fq4 n LEU 191 Cb 0.44 -1.57 0.10 0.00 0.53 0.00 0.00 43.42 42.92 2fq4 n LEU 191 CO 0.55 -0.04 0.62 0.54 -1.11 0.00 0.00 177.39 177.94