#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g20 s LEU 19 N 0.00 4.42 0.05 2.46 1.43 -1.26 -5.06 118.68 120.72 3g20 s LEU 19 Ca 0.00 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 3g20 s LEU 19 Cb 0.00 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 3g20 s LEU 19 CO 0.00 0.30 1.11 -0.69 0.23 0.00 0.00 176.35 177.30 3g20 s VAL 20 N -1.17 4.31 -0.21 -1.59 1.01 -1.26 -5.03 120.40 116.46 3g20 s VAL 20 Ca 0.25 1.69 -0.08 0.00 0.00 0.00 0.00 61.98 63.83 3g20 s VAL 20 Cb -0.15 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3g20 s VAL 20 CO 0.13 0.15 0.07 -0.69 0.00 0.00 0.00 175.10 174.76 3g20 s VAL 21 N 0.91 4.70 0.28 2.92 1.01 -1.26 -5.07 120.40 123.89 3g20 s VAL 21 Ca 0.55 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3g20 s VAL 21 Cb -0.27 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 3g20 s VAL 21 CO 0.29 0.41 1.52 -2.65 0.00 0.00 0.00 175.10 174.67 3g20 n PRO 22 N 4.02 2.47 -1.85 2.72 -0.02 -1.26 -4.91 135.00 136.17 3g20 n PRO 22 Ca -0.16 0.88 -0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3g20 n PRO 22 Cb 0.52 -2.61 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3g20 n PRO 22 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3g20 n ASN 23 N 2.01 0.37 0.01 2.55 5.15 -1.26 -4.93 115.26 119.17 3g20 n ASN 23 Ca 0.09 -2.03 -0.10 0.00 -0.60 0.00 0.00 54.58 51.94 3g20 n ASN 23 Cb 0.35 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 3g20 n ASN 23 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3g20 h LEU 24 N 1.15 -0.47 0.00 1.20 5.85 -2.07 -3.29 115.31 117.69 3g20 h LEU 24 Ca -0.31 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3g20 h LEU 24 Cb 1.57 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.81 3g20 h LEU 24 CO -0.01 -0.20 -0.95 0.23 -0.34 0.00 0.00 178.44 177.17 3g20 n MET 25 N -5.29 0.00 -0.18 1.25 2.81 -1.26 -4.65 117.12 109.80 3g20 n MET 25 Ca -0.04 -0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.85 3g20 n MET 25 Cb 0.21 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.30 3g20 n MET 25 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3g20 h GLY 26 N 5.00 0.55 1.36 3.03 0.00 -1.92 0.21 103.07 111.30 3g20 h GLY 26 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 3g20 h GLY 26 CO 0.00 -0.18 -0.46 3.43 0.00 0.00 0.00 176.54 179.33 3g20 h ASN 27 N 0.09 0.75 -0.53 0.19 4.21 -1.82 -1.65 115.58 116.81 3g20 h ASN 27 Ca 0.28 -0.36 -0.10 0.00 1.21 0.00 0.00 56.30 57.33 3g20 h ASN 27 Cb 0.45 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 3g20 h ASN 27 CO -0.49 1.09 -0.05 0.50 -1.29 0.00 0.00 177.43 177.19 3g20 h LYS 28 N 0.55 0.98 -0.79 0.81 3.64 -1.73 -1.91 116.57 118.12 3g20 h LYS 28 Ca 0.03 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.11 3g20 h LYS 28 Cb 1.01 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 3g20 h LYS 28 CO 0.10 1.01 0.50 0.22 -2.27 0.00 0.00 179.45 179.00 3g20 h ASP 29 N 0.85 0.83 -0.22 4.20 3.58 -0.35 0.23 116.42 125.53 3g20 h ASP 29 Ca 0.14 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3g20 h ASP 29 Cb 0.60 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3g20 h ASP 29 CO 0.04 0.57 0.03 0.50 -2.88 0.00 0.00 179.24 177.49 3g20 h LYS 30 N 0.97 0.36 -0.78 0.28 3.64 -1.09 -1.51 116.57 118.44 3g20 h LYS 30 Ca 0.32 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3g20 h LYS 30 Cb 0.02 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3g20 h LYS 30 CO -0.11 0.52 0.50 0.00 -2.27 0.00 0.00 179.45 178.08 3g20 h ALA 31 N 0.83 1.03 -0.55 5.00 0.00 -0.88 -2.36 119.26 122.33 3g20 h ALA 31 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3g20 h ALA 31 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3g20 h ALA 31 CO 0.01 0.31 -0.07 -0.44 0.00 0.00 0.00 179.25 179.05 3g20 h ASP 32 N 0.97 1.02 -0.73 0.00 3.32 -0.40 -2.30 116.42 118.31 3g20 h ASP 32 Ca 0.31 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3g20 h ASP 32 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3g20 h ASP 32 CO -0.11 1.12 0.31 0.03 -1.72 0.00 0.00 179.24 178.86 3g20 h ARG 33 N 0.91 1.10 -0.57 3.56 3.08 -1.03 -0.52 114.38 120.90 3g20 h ARG 33 Ca 0.15 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3g20 h ARG 33 Cb 0.63 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3g20 h ARG 33 CO 0.04 0.88 0.27 0.37 -1.07 0.00 0.00 179.97 180.46 3g20 h GLN 34 N 1.07 0.83 -0.52 0.04 4.15 -1.22 -1.30 115.11 118.17 3g20 h GLN 34 Ca 0.25 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3g20 h GLN 34 Cb 0.18 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3g20 h GLN 34 CO -0.02 0.69 0.35 -0.22 -1.93 0.00 0.00 178.83 177.69 3g20 h LYS 35 N 0.78 0.69 -0.40 1.69 1.63 -0.95 -1.85 116.57 118.16 3g20 h LYS 35 Ca 0.20 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3g20 h LYS 35 Cb 0.14 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3g20 h LYS 35 CO -0.02 0.46 0.21 0.28 -3.45 0.00 0.00 179.45 176.92 3g20 h VAL 36 N 0.71 0.98 -0.94 2.00 2.07 -0.76 -0.80 116.25 119.51 3g20 h VAL 36 Ca 0.19 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3g20 h VAL 36 Cb -0.08 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3g20 h VAL 36 CO -0.04 0.08 0.60 0.24 0.02 0.00 0.00 177.57 178.46 3g20 h MET 37 N 0.42 1.25 -0.63 1.57 2.86 -0.87 -0.16 114.93 119.37 3g20 h MET 37 Ca 0.17 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3g20 h MET 37 Cb 0.07 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3g20 h MET 37 CO -0.12 0.85 0.27 0.77 1.06 0.00 0.00 176.91 179.75 3g20 h SER 38 N 1.28 0.85 -0.84 1.22 0.02 -0.86 -1.53 113.55 113.70 3g20 h SER 38 Ca 0.34 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3g20 h SER 38 Cb -0.11 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.17 3g20 h SER 38 CO -0.07 0.77 0.55 0.44 -1.14 0.00 0.00 176.83 177.38 3g20 h ASP 39 N 0.88 0.93 -0.20 3.07 3.32 -0.31 -2.10 116.42 122.01 3g20 h ASP 39 Ca 0.21 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3g20 h ASP 39 Cb 0.17 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3g20 h ASP 39 CO -0.02 0.66 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.90 3g20 h LEU 40 N 1.10 0.63 -0.30 1.55 3.38 -0.49 0.59 115.31 121.77 3g20 h LEU 40 Ca 0.32 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3g20 h LEU 40 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3g20 h LEU 40 CO -0.09 0.83 -0.04 0.58 0.09 0.00 0.00 178.44 179.81 3g20 h VAL 41 N 0.57 1.27 -0.25 1.22 2.07 -1.11 -0.56 116.25 119.45 3g20 h VAL 41 Ca 0.09 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3g20 h VAL 41 Cb 0.65 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3g20 h VAL 41 CO 0.05 0.34 0.16 0.00 0.02 0.00 0.00 177.57 178.13 3g20 h ALA 42 N 0.81 0.32 -0.75 1.67 0.00 -1.09 -2.23 119.26 117.99 3g20 h ALA 42 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3g20 h ALA 42 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3g20 h ALA 42 CO 0.02 -0.19 0.38 -0.07 0.00 0.00 0.00 179.25 179.40 3g20 h LEU 43 N 0.33 0.96 -0.64 0.00 3.38 -0.77 -2.74 115.31 115.83 3g20 h LEU 43 Ca 0.09 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3g20 h LEU 43 Cb -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3g20 h LEU 43 CO -0.02 0.81 0.40 -0.33 0.09 0.00 0.00 178.44 179.38 3g20 h GLU 44 N 1.05 0.75 -0.72 1.13 5.08 -0.95 0.27 114.58 121.19 3g20 h GLU 44 Ca 0.26 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3g20 h GLU 44 Cb 0.08 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3g20 h GLU 44 CO -0.04 0.50 0.42 1.03 -1.00 0.00 0.00 179.01 179.92 3g20 h SER 45 N 0.78 0.65 0.30 1.42 0.87 -1.16 -0.51 113.55 115.90 3g20 h SER 45 Ca 0.26 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 3g20 h SER 45 Cb 0.02 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3g20 h SER 45 CO -0.10 0.42 -0.80 0.71 -0.53 0.00 0.00 176.83 176.53 3g20 h THR 46 N 0.78 1.39 -0.57 2.23 1.35 -1.17 -2.66 112.91 114.27 3g20 h THR 46 Ca 0.31 -2.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.89 3g20 h THR 46 Cb 0.16 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 3g20 h THR 46 CO -0.17 0.68 0.24 -0.07 -0.25 0.00 0.00 175.52 175.95 3g20 h LEU 47 N 0.25 0.74 -0.84 3.87 3.38 -0.67 -0.72 115.31 121.33 3g20 h LEU 47 Ca -0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3g20 h LEU 47 Cb 1.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3g20 h LEU 47 CO 0.14 0.66 0.21 0.44 0.09 0.00 0.00 178.44 179.97 3g20 h ASP 48 N 0.81 1.00 -0.54 -0.43 3.32 -0.94 -0.76 116.42 118.89 3g20 h ASP 48 Ca 0.20 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3g20 h ASP 48 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3g20 h ASP 48 CO -0.02 0.93 0.01 0.24 -1.72 0.00 0.00 179.24 178.68 3g20 h MET 49 N 1.03 0.94 -0.52 3.56 2.86 -1.10 -0.55 114.93 121.15 3g20 h MET 49 Ca 0.22 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3g20 h MET 49 Cb 0.30 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3g20 h MET 49 CO -0.01 0.95 0.31 -0.92 1.06 0.00 0.00 176.91 178.30 3g20 h TYR 50 N 0.82 0.57 -0.50 -0.22 3.20 -0.90 -2.46 116.97 117.47 3g20 h TYR 50 Ca 0.15 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3g20 h TYR 50 Cb 0.52 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3g20 h TYR 50 CO 0.04 0.32 -0.18 -0.09 -1.64 0.00 0.00 178.16 176.61 3g20 h ARG 51 N 0.61 1.01 -0.97 1.82 2.43 -0.87 -0.52 114.38 117.89 3g20 h ARG 51 Ca 0.21 -0.41 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3g20 h ARG 51 Cb 0.03 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 3g20 h ARG 51 CO -0.10 1.09 0.62 -0.07 -1.51 0.00 0.00 179.97 180.00 3g20 h LEU 52 N 0.88 0.96 0.03 3.80 3.38 -0.88 0.41 115.31 123.88 3g20 h LEU 52 Ca 0.12 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 3g20 h LEU 52 Cb 0.76 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.35 3g20 h LEU 52 CO 0.06 0.59 -0.92 0.44 0.09 0.00 0.00 178.44 178.70 3g20 h ASP 53 N 1.09 0.77 -0.01 -0.43 3.32 -1.24 -3.40 116.42 116.51 3g20 h ASP 53 Ca 0.44 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3g20 h ASP 53 Cb 0.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3g20 h ASP 53 CO -0.20 1.44 -0.09 0.59 -1.72 0.00 0.00 179.24 179.26 3g20 n ASN 54 N -3.98 1.57 -1.85 6.45 3.02 -0.22 -4.32 115.26 115.93 3g20 n ASN 54 Ca -0.11 -1.28 -0.19 0.00 -0.03 0.00 0.00 54.58 52.96 3g20 n ASN 54 Cb 0.83 0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 40.17 3g20 n ASN 54 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3g20 n ASN 55 N 0.21 -5.37 -3.62 6.41 5.15 0.14 -4.59 115.26 113.58 3g20 n ASN 55 Ca 0.05 0.19 -0.04 0.00 -0.60 0.00 0.00 54.58 54.19 3g20 n ASN 55 Cb 0.24 -4.47 -0.01 0.00 -0.53 0.00 0.00 39.78 35.00 3g20 n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g20 s ARG 56 N -4.36 0.74 0.39 1.20 1.70 -1.25 -5.08 118.95 112.29 3g20 s ARG 56 Ca 0.00 -0.35 -0.02 0.00 -0.47 0.00 0.00 55.73 54.89 3g20 s ARG 56 Cb 0.00 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3g20 s ARG 56 CO 0.00 -0.33 0.63 0.71 -1.08 0.00 0.00 175.30 175.23 3g20 s TYR 57 N -2.88 3.52 0.60 5.89 2.02 -1.26 -3.85 117.35 121.40 3g20 s TYR 57 Ca 0.10 0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 57.13 3g20 s TYR 57 Cb 0.00 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3g20 s TYR 57 CO -0.04 -0.01 1.06 -2.30 -1.57 0.00 0.00 175.55 172.70 3g20 n PRO 58 N -1.91 1.01 -1.29 -1.71 -0.02 -1.26 -4.98 135.00 124.84 3g20 n PRO 58 Ca -0.03 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 3g20 n PRO 58 Cb 0.56 -2.27 0.17 0.00 -0.02 0.00 0.00 33.50 31.93 3g20 n PRO 58 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3g20 s THR 59 N -1.46 1.98 0.27 3.45 -4.23 -1.26 -4.75 115.64 109.63 3g20 s THR 59 Ca 0.77 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 3g20 s THR 59 Cb -0.41 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3g20 s THR 59 CO 0.46 0.00 1.89 0.74 -0.54 0.00 0.00 174.62 177.17 3g20 h THR 60 N -1.82 1.10 -0.15 3.99 2.02 -1.84 0.11 112.91 116.31 3g20 h THR 60 Ca -0.53 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.08 3g20 h THR 60 Cb 1.33 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3g20 h THR 60 CO 0.58 0.22 -0.58 -0.33 0.37 0.00 0.00 175.52 175.78 3g20 h GLU 61 N 1.19 0.50 -0.12 6.66 3.07 -1.91 -3.00 114.58 120.97 3g20 h GLU 61 Ca 0.43 -0.33 -0.22 0.00 -0.50 0.00 0.00 59.36 58.74 3g20 h GLU 61 Cb 0.15 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3g20 h GLU 61 CO -0.17 0.94 -0.82 1.96 -1.40 0.00 0.00 179.01 179.52 3g20 h GLN 62 N 0.38 0.71 0.00 2.33 4.20 -1.82 -3.49 115.11 117.41 3g20 h GLN 62 Ca 0.00 -0.61 0.08 0.00 0.06 0.00 0.00 58.65 58.18 3g20 h GLN 62 Cb 1.12 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3g20 h GLN 62 CO 0.11 1.22 -0.11 0.41 -0.67 0.00 0.00 178.83 179.79 3g20 n GLY 63 N 0.74 -1.70 0.27 3.46 0.00 0.34 -3.32 105.19 104.99 3g20 n GLY 63 Ca -0.07 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.85 3g20 n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g20 h LEU 64 N 0.00 0.00 -2.17 0.99 3.38 -1.89 -2.66 115.31 112.97 3g20 h LEU 64 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3g20 h LEU 64 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3g20 h LEU 64 CO 0.00 0.08 0.12 -0.09 0.09 0.00 0.00 178.44 178.65 3g20 h ARG 65 N 0.00 0.00 -0.02 1.13 9.65 -1.97 -0.64 114.38 122.53 3g20 h ARG 65 Ca -0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3g20 h ARG 65 Cb 0.43 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3g20 h ARG 65 CO 0.01 0.00 0.12 0.00 2.80 0.00 0.00 179.97 182.90 3g20 h ALA 66 N 1.89 1.22 0.00 2.80 0.00 -1.46 -0.68 119.26 123.02 3g20 h ALA 66 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3g20 h ALA 66 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3g20 h ALA 66 CO -0.00 -0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 178.88 3g20 h LEU 67 N 0.00 0.00 0.05 0.00 3.38 -1.33 -3.36 115.31 114.06 3g20 h LEU 67 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 3g20 h LEU 67 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3g20 h LEU 67 CO -0.00 0.17 -1.05 0.58 0.09 0.00 0.00 178.44 178.23 3g20 h VAL 68 N 0.00 1.16 -3.62 1.22 2.07 -1.28 0.05 116.25 115.85 3g20 h VAL 68 Ca -0.00 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.14 3g20 h VAL 68 Cb 0.78 2.70 -0.12 0.00 -1.52 0.00 0.00 31.29 33.13 3g20 h VAL 68 CO 0.02 0.55 -0.18 -0.94 0.02 0.00 0.00 177.57 177.05 3g20 s SER 69 N -6.79 -0.09 0.12 0.57 1.04 -1.22 -4.36 113.70 102.97 3g20 s SER 69 Ca -0.23 -0.66 -0.34 0.00 0.48 0.00 0.00 55.95 55.20 3g20 s SER 69 Cb 0.03 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.49 3g20 s SER 69 CO 0.69 -0.93 1.58 1.17 0.98 0.00 0.00 173.24 176.73 3g20 n LYS 70 N -0.25 2.01 -2.02 4.02 4.81 -1.26 -4.44 118.16 121.04 3g20 n LYS 70 Ca -0.10 0.73 -0.40 0.00 -0.87 0.00 0.00 58.31 57.67 3g20 n LYS 70 Cb 0.63 -2.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 3g20 n LYS 70 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3g20 s PRO 71 N 1.20 4.19 0.08 1.64 0.04 -1.26 -4.92 135.00 135.97 3g20 s PRO 71 Ca 0.81 2.29 0.24 0.00 0.04 0.00 0.00 61.00 64.38 3g20 s PRO 71 Cb -0.72 -2.96 0.34 0.00 0.04 0.00 0.00 34.50 31.20 3g20 s PRO 71 CO 0.41 -0.36 1.30 0.25 0.04 0.00 0.00 177.00 178.64 3g20 n THR 72 N 0.53 0.24 -3.49 1.26 -2.24 -1.26 -4.86 114.28 104.46 3g20 n THR 72 Ca 0.01 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 3g20 n THR 72 Cb 0.42 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 3g20 n THR 72 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3g20 s VAL 73 N -3.13 5.00 0.66 2.28 1.01 -1.26 -5.05 120.40 119.91 3g20 s VAL 73 Ca 0.07 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 3g20 s VAL 73 Cb 0.14 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3g20 s VAL 73 CO 0.73 0.45 1.10 -1.10 0.00 0.00 0.00 175.10 176.28 3g20 s GLN 74 N -1.43 2.84 0.11 2.72 -1.52 -1.26 -4.37 119.66 116.75 3g20 s GLN 74 Ca 0.28 1.35 -0.30 0.00 -1.95 0.00 0.00 55.36 54.75 3g20 s GLN 74 Cb -0.16 -1.96 -0.06 0.00 -0.22 0.00 0.00 33.01 30.61 3g20 s GLN 74 CO 0.16 -1.21 1.09 -1.25 -0.25 0.00 0.00 175.29 173.83 3g20 s PRO 75 N -4.14 4.55 0.11 2.91 0.04 -1.26 -4.90 135.00 132.31 3g20 s PRO 75 Ca 0.66 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 63.05 3g20 s PRO 75 Cb -0.20 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 3g20 s PRO 75 CO 0.42 -0.02 1.57 -2.00 0.04 0.00 0.00 177.00 177.00 3g20 s GLU 76 N 0.30 4.22 0.31 4.56 2.12 -1.26 -4.95 118.70 124.00 3g20 s GLU 76 Ca 0.52 2.30 -0.29 0.00 0.36 0.00 0.00 54.97 57.86 3g20 s GLU 76 Cb -0.27 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.66 3g20 s GLU 76 CO 0.32 -0.63 1.35 -1.25 -0.54 0.00 0.00 175.26 174.51 3g20 s PRO 77 N 1.76 4.31 0.23 4.30 0.04 -1.26 -4.93 135.00 139.45 3g20 s PRO 77 Ca 0.71 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.96 3g20 s PRO 77 Cb -0.41 -3.07 0.22 0.00 0.04 0.00 0.00 34.50 31.28 3g20 s PRO 77 CO 0.31 -0.28 1.72 -0.09 0.04 0.00 0.00 177.00 178.70 3g20 h ARG 78 N 3.80 0.94 -1.16 4.56 9.65 -1.89 -3.36 114.38 126.93 3g20 h ARG 78 Ca -0.48 -0.26 -0.38 0.00 -1.10 0.00 0.00 59.98 57.76 3g20 h ARG 78 Cb 1.22 -0.11 -0.38 0.00 -1.39 0.00 0.00 29.97 29.32 3g20 h ARG 78 CO 0.69 0.91 -1.13 -1.71 2.80 0.00 0.00 179.97 181.52 3g20 n ASN 79 N -4.21 1.01 -4.65 -3.80 5.15 -1.26 -5.08 115.26 102.42 3g20 n ASN 79 Ca 0.03 -2.79 -0.43 0.00 -0.60 0.00 0.00 54.58 50.80 3g20 n ASN 79 Cb 0.31 -0.40 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 3g20 n ASN 79 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3g20 s TYR 80 N -2.68 2.62 0.00 1.20 5.04 -1.26 -4.68 117.35 117.59 3g20 s TYR 80 Ca 0.30 0.83 -0.35 0.00 -2.44 0.00 0.00 57.07 55.40 3g20 s TYR 80 Cb 0.43 -3.73 -0.14 0.00 0.35 0.00 0.00 41.96 38.87 3g20 s TYR 80 CO 0.00 -2.07 1.67 -2.13 -1.34 0.00 0.00 175.55 171.68 3g20 n ARG 81 N 7.01 1.86 -0.30 4.97 0.63 -1.26 -4.88 116.66 124.68 3g20 n ARG 81 Ca 0.15 0.68 0.10 0.00 -0.92 0.00 0.00 57.85 57.85 3g20 n ARG 81 Cb 0.45 -2.44 0.26 0.00 0.45 0.00 0.00 32.46 31.18 3g20 n ARG 81 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3g20 h GLN 82 N 7.03 0.53 -0.00 -0.14 4.15 -2.02 -0.64 115.11 124.01 3g20 h GLN 82 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3g20 h GLN 82 Cb 1.28 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3g20 h GLN 82 CO 0.90 0.35 -0.07 -0.25 -1.93 0.00 0.00 178.83 177.83 3g20 n ASP 83 N -4.93 0.23 -0.01 -0.69 8.00 -1.26 -4.92 116.55 112.97 3g20 n ASP 83 Ca 0.19 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3g20 n ASP 83 Cb 0.53 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3g20 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g20 n GLY 84 N 1.30 -2.13 0.00 0.44 0.00 -0.25 -4.75 105.19 99.80 3g20 n GLY 84 Ca 0.14 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.75 3g20 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g20 n TYR 85 N -0.22 0.00 -3.87 1.61 4.01 -0.06 -4.89 117.16 113.74 3g20 n TYR 85 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3g20 n TYR 85 Cb 0.00 -0.16 -0.12 0.00 -0.31 0.00 0.00 39.34 38.75 3g20 n TYR 85 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3g20 s ILE 86 N -2.48 0.04 0.03 -0.72 2.07 -0.83 -4.85 121.20 114.45 3g20 s ILE 86 Ca -0.03 -0.33 -0.20 0.00 -1.41 0.00 0.00 60.65 58.68 3g20 s ILE 86 Cb 0.05 -0.25 -0.17 0.00 0.13 0.00 0.00 42.46 42.22 3g20 s ILE 86 CO 0.30 -0.18 1.24 -0.09 -1.91 0.00 0.00 174.94 174.30 3g20 h ARG 87 N 5.30 0.40 -3.76 3.50 2.43 -1.91 -3.39 114.38 116.96 3g20 h ARG 87 Ca -0.28 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.39 3g20 h ARG 87 Cb 1.20 0.05 -0.27 0.00 -0.42 0.00 0.00 29.97 30.53 3g20 h ARG 87 CO 0.43 0.91 -0.71 1.03 -1.51 0.00 0.00 179.97 180.12 3g20 s ARG 88 N -3.84 0.07 0.08 0.20 0.52 -1.26 -4.99 118.95 109.73 3g20 s ARG 88 Ca -0.14 -0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 3g20 s ARG 88 Cb 0.05 0.03 -0.06 0.00 0.52 0.00 0.00 34.95 35.48 3g20 s ARG 88 CO 0.78 -0.01 1.18 -0.51 0.02 0.00 0.00 175.30 176.76 3g20 s LEU 89 N -0.29 4.39 0.58 2.53 1.43 -1.26 -5.03 118.68 121.04 3g20 s LEU 89 Ca -0.03 2.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 3g20 s LEU 89 Cb -0.02 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3g20 s LEU 89 CO -0.00 -0.42 1.04 -2.16 0.23 0.00 0.00 176.35 175.03 3g20 s PRO 90 N 0.77 3.45 0.25 1.29 0.04 -1.26 -5.07 135.00 134.46 3g20 s PRO 90 Ca 0.57 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.77 3g20 s PRO 90 Cb -0.29 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3g20 s PRO 90 CO 0.31 -0.69 0.28 -0.65 0.04 0.00 0.00 177.00 176.28 3g20 s GLN 91 N -4.20 3.18 0.85 4.56 -0.21 -1.26 -4.55 119.66 118.02 3g20 s GLN 91 Ca 0.62 -0.91 -0.13 0.00 0.02 0.00 0.00 55.36 54.96 3g20 s GLN 91 Cb -0.14 -2.73 0.11 0.00 1.00 0.00 0.00 33.01 31.25 3g20 s GLN 91 CO 0.38 0.41 1.19 0.16 -2.12 0.00 0.00 175.29 175.31 3g20 s ASP 92 N -3.91 4.14 0.33 5.90 1.47 -0.20 -4.90 116.67 119.49 3g20 s ASP 92 Ca 0.34 0.75 0.24 0.00 1.18 0.00 0.00 52.55 55.06 3g20 s ASP 92 Cb -0.08 -1.21 1.18 0.00 -0.34 0.00 0.00 42.92 42.47 3g20 s ASP 92 CO 0.27 -2.14 1.73 -0.65 0.68 0.00 0.00 175.17 175.07 3g20 h PRO 93 N -1.22 0.00 -0.21 2.11 0.11 -1.89 -0.55 132.00 130.36 3g20 h PRO 93 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g20 h PRO 93 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3g20 h PRO 93 CO 0.62 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.32 3g20 n TRP 94 N -2.33 0.26 -0.86 0.65 8.01 -1.26 -4.93 117.44 116.98 3g20 n TRP 94 Ca -0.00 -0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 3g20 n TRP 94 Cb 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 3g20 n TRP 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3g20 n GLY 95 N 1.33 0.56 3.88 6.99 0.00 -0.21 -5.05 105.19 112.69 3g20 n GLY 95 Ca 0.17 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3g20 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g20 s GLY 96 N -2.10 1.76 0.04 -0.02 0.00 -1.26 -4.80 107.32 100.94 3g20 s GLY 96 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.26 3g20 s GLY 96 CO 0.00 -0.05 0.63 0.99 0.00 0.00 0.00 173.10 174.67 3g20 s ASP 97 N -3.64 7.07 0.42 1.64 1.01 -1.26 -1.03 116.67 120.88 3g20 s ASP 97 Ca 0.51 1.27 -0.26 0.00 0.71 0.00 0.00 52.55 54.78 3g20 s ASP 97 Cb -0.10 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 3g20 s ASP 97 CO 0.40 0.14 1.39 -0.31 0.21 0.00 0.00 175.17 177.00 3g20 s TYR 98 N -0.48 2.61 0.12 4.23 2.02 -1.26 -4.48 117.35 120.11 3g20 s TYR 98 Ca 0.32 1.31 0.05 0.00 -0.37 0.00 0.00 57.07 58.38 3g20 s TYR 98 Cb -0.19 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.49 3g20 s TYR 98 CO 0.19 -2.62 0.03 -0.65 -1.57 0.00 0.00 175.55 170.92 3g20 s GLN 99 N -2.32 2.60 -0.03 -0.62 -1.52 0.78 -4.86 119.66 113.69 3g20 s GLN 99 Ca 0.58 -0.88 0.02 0.00 -1.95 0.00 0.00 55.36 53.13 3g20 s GLN 99 Cb -0.42 -2.54 0.01 0.00 -0.22 0.00 0.00 33.01 29.84 3g20 s GLN 99 CO 0.54 0.52 -0.08 -1.17 -0.25 0.00 0.00 175.29 174.85 3g20 s LEU 100 N -2.55 1.70 -0.13 2.90 0.20 -1.26 -1.69 118.68 117.85 3g20 s LEU 100 Ca 0.27 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.92 3g20 s LEU 100 Cb -0.11 -0.54 0.02 0.00 -0.43 0.00 0.00 46.19 45.13 3g20 s LEU 100 CO 0.19 0.04 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.92 3g20 s LEU 101 N 0.35 1.72 -0.16 -0.68 2.96 0.74 -4.69 118.68 118.93 3g20 s LEU 101 Ca -0.06 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3g20 s LEU 101 Cb -0.10 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.48 3g20 s LEU 101 CO 0.01 -0.02 -0.07 0.21 -1.32 0.00 0.00 176.35 175.16 3g20 s ASN 102 N 1.23 2.79 0.51 3.68 3.84 -1.26 -1.46 114.94 124.27 3g20 s ASN 102 Ca -0.01 -0.62 -0.18 0.00 0.21 0.00 0.00 52.86 52.26 3g20 s ASN 102 Cb -0.14 -0.96 -0.08 0.00 -0.55 0.00 0.00 41.25 39.53 3g20 s ASN 102 CO -0.06 -0.16 1.01 -2.16 -2.79 0.00 0.00 177.10 172.93 3g20 s PRO 103 N 1.61 3.82 0.64 0.43 0.04 -1.26 -4.41 135.00 135.87 3g20 s PRO 103 Ca 0.01 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 3g20 s PRO 103 Cb -0.15 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3g20 s PRO 103 CO -0.08 -0.39 1.05 0.20 0.04 0.00 0.00 177.00 177.82 3g20 s GLY 104 N -2.61 1.81 0.12 0.56 0.00 -0.01 -4.77 107.32 102.41 3g20 s GLY 104 Ca 0.62 0.13 -0.10 0.00 0.00 0.00 0.00 44.72 45.37 3g20 s GLY 104 CO 0.27 0.43 1.33 1.46 0.00 0.00 0.00 173.10 176.58 3g20 h GLN 105 N -0.22 0.68 0.00 2.90 4.20 -1.90 -3.41 115.11 117.36 3g20 h GLN 105 Ca -0.45 -0.58 -0.15 0.00 0.06 0.00 0.00 58.65 57.53 3g20 h GLN 105 Cb 1.21 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 3g20 h GLN 105 CO 0.58 1.19 -1.56 0.66 -0.67 0.00 0.00 178.83 179.03 3g20 n TYR 106 N -3.90 0.00 -4.64 2.96 4.01 -1.26 -5.06 117.16 109.28 3g20 n TYR 106 Ca -0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.38 3g20 n TYR 106 Cb 0.75 -0.39 -0.09 0.00 -0.31 0.00 0.00 39.34 39.30 3g20 n TYR 106 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3g20 s SER 107 N -4.42 3.53 0.20 7.72 0.01 -1.26 -5.04 113.70 114.45 3g20 s SER 107 Ca -0.08 -1.58 -0.12 0.00 1.31 0.00 0.00 55.95 55.49 3g20 s SER 107 Cb 0.03 0.28 0.26 0.00 0.21 0.00 0.00 66.02 66.79 3g20 s SER 107 CO 0.29 -0.77 1.67 -0.78 0.41 0.00 0.00 173.24 174.06 3g20 h ASP 108 N 1.63 -0.22 -4.29 2.44 1.82 -1.96 -3.08 116.42 112.76 3g20 h ASP 108 Ca -0.41 0.14 -0.52 0.00 -0.39 0.00 0.00 57.03 55.85 3g20 h ASP 108 Cb 1.28 0.24 -0.27 0.00 0.68 0.00 0.00 39.33 41.26 3g20 h ASP 108 CO 0.70 -0.09 -0.82 0.27 -1.61 0.00 0.00 179.24 177.70 3g20 s ILE 109 N -6.15 1.34 -0.10 2.25 -4.36 -1.26 -0.83 121.20 112.07 3g20 s ILE 109 Ca -0.13 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.17 3g20 s ILE 109 Cb 0.18 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 3g20 s ILE 109 CO 0.73 0.22 0.44 -1.81 0.24 0.00 0.00 174.94 174.76 3g20 s ASP 110 N -0.81 6.67 -0.04 4.36 1.01 -0.53 -4.75 116.67 122.58 3g20 s ASP 110 Ca 0.05 0.80 0.05 0.00 0.71 0.00 0.00 52.55 54.15 3g20 s ASP 110 Cb -0.07 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.59 3g20 s ASP 110 CO 0.01 0.07 -0.18 -0.63 0.21 0.00 0.00 175.17 174.64 3g20 s ILE 111 N 0.33 1.49 -0.09 0.77 1.01 -1.26 -0.18 121.20 123.27 3g20 s ILE 111 Ca 0.24 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 3g20 s ILE 111 Cb -0.15 -1.27 0.07 0.00 0.01 0.00 0.00 42.46 41.12 3g20 s ILE 111 CO 0.10 0.43 0.69 0.72 0.00 0.00 0.00 174.94 176.87 3g20 s PHE 112 N -0.01 -0.68 0.12 3.97 -0.12 -0.68 -0.73 117.98 119.85 3g20 s PHE 112 Ca -0.03 1.26 -0.24 0.00 -0.05 0.00 0.00 56.93 57.86 3g20 s PHE 112 Cb -0.11 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 3g20 s PHE 112 CO 0.02 -0.57 0.74 0.45 -0.05 0.00 0.00 175.22 175.81 3g20 s SER 113 N -0.94 7.30 0.18 1.98 0.15 0.31 -0.15 113.70 122.53 3g20 s SER 113 Ca -0.09 1.54 0.14 0.00 0.70 0.00 0.00 55.95 58.24 3g20 s SER 113 Cb -0.01 -2.47 0.72 0.00 -1.71 0.00 0.00 66.02 62.55 3g20 s SER 113 CO 0.08 0.18 1.44 -2.65 1.20 0.00 0.00 173.24 173.49 3g20 n PRO 114 N 1.88 0.09 -0.03 5.44 -0.02 -1.26 -0.78 135.00 140.32 3g20 n PRO 114 Ca -0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3g20 n PRO 114 Cb 0.49 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3g20 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g20 n GLY 115 N -1.07 -1.97 0.36 -1.23 0.00 -1.26 -3.61 105.19 96.42 3g20 n GLY 115 Ca -0.00 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.71 3g20 n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g20 h PRO 116 N 0.00 0.96 0.00 1.61 0.11 -1.94 -1.58 132.00 131.15 3g20 h PRO 116 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3g20 h PRO 116 Cb 0.03 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3g20 h PRO 116 CO 0.00 0.63 0.00 0.38 -0.21 0.00 0.00 178.00 178.80 3g20 h ASP 117 N 0.99 0.00 -0.31 -2.05 3.04 -1.92 -3.47 116.42 112.70 3g20 h ASP 117 Ca 0.49 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.15 3g20 h ASP 117 Cb 0.49 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.73 3g20 h ASP 117 CO -0.26 0.00 -0.12 0.61 -2.04 0.00 0.00 179.24 177.43 3g20 n GLY 118 N 0.19 0.86 3.23 7.15 0.00 -0.60 -5.00 105.19 111.02 3g20 n GLY 118 Ca 0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3g20 n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g20 s VAL 119 N -2.12 2.83 0.70 1.61 1.01 -1.26 -4.96 120.40 118.21 3g20 s VAL 119 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3g20 s VAL 119 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3g20 s VAL 119 CO 0.00 0.47 1.22 -2.84 0.00 0.00 0.00 175.10 173.95 3g20 s PRO 120 N 1.40 2.32 -0.95 2.72 0.02 -1.26 -3.89 135.00 135.36 3g20 s PRO 120 Ca 0.05 1.80 -0.06 0.00 0.02 0.00 0.00 61.00 62.81 3g20 s PRO 120 Cb -0.14 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.54 3g20 s PRO 120 CO -0.07 -1.71 0.81 0.09 -0.33 0.00 0.00 177.00 175.79 3g20 n ASN 121 N -2.46 -5.05 -4.57 2.53 3.02 -1.26 -5.05 115.26 102.42 3g20 n ASN 121 Ca 0.14 -0.37 -0.27 0.00 -0.03 0.00 0.00 54.58 54.05 3g20 n ASN 121 Cb 0.50 -3.65 -0.10 0.00 -0.61 0.00 0.00 39.78 35.92 3g20 n ASN 121 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3g20 s THR 122 N -3.21 1.53 -1.00 3.41 -4.23 -1.25 -5.04 115.64 105.85 3g20 s THR 122 Ca 0.40 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 3g20 s THR 122 Cb -0.18 -2.74 0.13 0.00 1.34 0.00 0.00 72.50 71.05 3g20 s THR 122 CO 0.50 0.00 1.49 -0.62 -0.54 0.00 0.00 174.62 175.45 3g20 n GLU 123 N -0.95 0.00 0.26 3.99 -0.58 -1.26 -1.54 120.64 120.56 3g20 n GLU 123 Ca -0.07 0.24 0.15 0.00 -0.42 0.00 0.00 57.16 57.06 3g20 n GLU 123 Cb 0.67 -1.50 0.65 0.00 -0.57 0.00 0.00 31.44 30.69 3g20 n GLU 123 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3g20 h ASP 124 N 0.00 0.00 -3.64 1.62 5.19 -1.92 -3.47 116.42 114.20 3g20 h ASP 124 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3g20 h ASP 124 Cb 0.26 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.90 3g20 h ASP 124 CO 0.00 0.07 0.50 0.47 -3.12 0.00 0.00 179.24 177.16 3g20 n ASP 125 N -3.22 2.51 -4.01 6.45 9.92 -0.59 -4.00 116.55 123.63 3g20 n ASP 125 Ca 0.00 1.07 -0.30 0.00 -0.53 0.00 0.00 54.79 55.03 3g20 n ASP 125 Cb 0.32 -1.51 -0.16 0.00 -0.64 0.00 0.00 41.12 39.13 3g20 n ASP 125 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3g20 s ILE 126 N -1.23 1.60 0.29 0.53 1.01 0.04 -4.90 121.20 118.54 3g20 s ILE 126 Ca 0.63 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3g20 s ILE 126 Cb -0.49 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 3g20 s ILE 126 CO 0.56 0.31 0.05 -0.83 0.00 0.00 0.00 174.94 175.03 3g20 s GLY 127 N 1.44 1.88 0.48 6.18 0.00 -1.26 -0.53 107.32 115.51 3g20 s GLY 127 Ca 0.02 -1.95 0.32 0.00 0.00 0.00 0.00 44.72 43.11 3g20 s GLY 127 CO -0.09 -1.73 1.96 3.45 0.00 0.00 0.00 173.10 176.69 3g20 h ASN 128 N 2.26 0.00 -0.14 1.64 -1.07 -1.32 -1.88 115.58 115.06 3g20 h ASN 128 Ca -0.40 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.02 3g20 h ASN 128 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 3g20 h ASN 128 CO 0.66 0.00 0.13 4.11 0.07 0.00 0.00 177.43 182.41 3g20 h TRP 129 N 0.00 0.00 0.00 4.14 0.09 -1.94 -1.57 115.95 116.67 3g20 h TRP 129 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3g20 h TRP 129 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.61 3g20 h TRP 129 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 178.44 180.94 3g20 n THR 130 N -4.06 0.66 0.31 0.12 -1.04 -0.71 -2.86 114.28 106.70 3g20 n THR 130 Ca 0.01 -0.04 0.16 0.00 -2.04 0.00 0.00 64.05 62.13 3g20 n THR 130 Cb 0.25 -0.82 0.62 0.00 -1.82 0.00 0.00 70.33 68.56 3g20 n THR 130 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3g20 h LEU 131 N 0.00 0.00 0.00 -4.42 3.38 -1.46 -3.49 115.31 109.32 3g20 h LEU 131 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g20 h LEU 131 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3g20 h LEU 131 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3g20 n GLY 132 N 0.09 -0.66 0.45 0.83 0.00 -1.14 -4.50 105.19 100.26 3g20 n GLY 132 Ca 0.01 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3g20 n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g20 n ASN 133 N -1.16 2.89 -0.26 1.61 3.02 -1.26 -4.66 115.26 115.43 3g20 n ASN 133 Ca 0.00 -2.57 0.05 0.00 -0.03 0.00 0.00 54.58 52.03 3g20 n ASN 133 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3g20 n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g20 n ALA 134 N -0.47 2.80 -1.78 5.41 0.00 -1.26 -5.01 120.51 120.19 3g20 n ALA 134 Ca 0.13 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 3g20 n ALA 134 Cb 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 3g20 n ALA 134 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g20 s GLN 135 N -1.32 4.16 0.00 0.00 -0.21 -1.26 -5.29 119.66 115.75 3g20 s GLN 135 Ca 0.09 2.49 0.09 0.00 0.02 0.00 0.00 55.36 58.05 3g20 s GLN 135 Cb 0.08 -3.00 0.54 0.00 1.00 0.00 0.00 33.01 31.63 3g20 s GLN 135 CO 0.24 -0.48 0.99 -2.30 -2.12 0.00 0.00 175.29 171.62