#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w n ALA 13 N 0.00 -0.67 -1.30 4.61 0.00 -1.26 -1.47 120.51 120.42 2b1w n ALA 13 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2b1w n ALA 13 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 2b1w n ALA 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2b1w n MET 14 N -3.10 -1.21 0.00 0.00 0.00 -1.26 -4.72 117.12 106.84 2b1w n MET 14 Ca -0.23 0.82 0.00 0.00 -0.00 0.00 0.00 57.70 58.29 2b1w n MET 14 Cb 0.67 -4.95 0.00 0.00 0.00 0.00 0.00 33.22 28.94 2b1w n MET 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2b1w n GLU 15 N -1.72 0.00 -3.32 2.12 4.71 -0.54 -2.45 120.64 119.44 2b1w n GLU 15 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.79 2b1w n GLU 15 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.81 2b1w n GLU 15 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2b1w n SER 16 N 4.83 1.68 -2.97 1.62 7.64 -1.26 -4.95 113.62 120.22 2b1w n SER 16 Ca 0.00 -3.00 -0.21 0.00 1.01 0.00 0.00 58.87 56.67 2b1w n SER 16 Cb 0.00 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 2b1w n SER 16 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2b1w n HIS 17 N 1.27 2.07 0.00 1.43 8.25 -1.03 -4.79 115.22 122.42 2b1w n HIS 17 Ca 0.25 -3.71 0.00 0.00 -0.26 0.00 0.00 57.72 54.00 2b1w n HIS 17 Cb 0.47 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2b1w n HIS 17 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2b1w n PRO 18 N -0.03 0.00 -0.04 -0.41 -0.05 -1.26 -4.34 135.00 128.87 2b1w n PRO 18 Ca 0.27 0.10 -0.14 0.00 -0.05 0.00 0.00 63.50 63.67 2b1w n PRO 18 Cb 0.58 -0.45 -0.03 0.00 -0.05 0.00 0.00 33.50 33.55 2b1w n PRO 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2b1w h HIS 19 N 0.00 1.00 -0.98 0.54 3.86 -1.96 -2.99 115.15 114.61 2b1w h HIS 19 Ca 0.00 -0.39 0.08 0.00 -1.16 0.00 0.00 60.37 58.90 2b1w h HIS 19 Cb 0.00 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.22 2b1w h HIS 19 CO 0.00 1.20 0.63 -0.84 0.86 0.00 0.00 177.93 179.78 2b1w h ILE 20 N 0.57 1.04 -0.28 2.45 3.07 -1.92 0.13 117.51 122.58 2b1w h ILE 20 Ca -0.01 -0.38 -0.07 0.00 1.55 0.00 0.00 64.86 65.95 2b1w h ILE 20 Cb 1.23 -0.16 -0.01 0.00 -0.27 0.00 0.00 36.82 37.61 2b1w h ILE 20 CO 0.13 0.20 -0.11 1.56 -1.05 0.00 0.00 178.15 178.89 2b1w h GLN 21 N 1.11 0.57 0.00 0.16 7.50 -1.74 -2.89 115.11 119.82 2b1w h GLN 21 Ca 0.44 -0.24 0.02 0.00 0.50 0.00 0.00 58.65 59.37 2b1w h GLN 21 Cb 0.24 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 2b1w h GLN 21 CO -0.19 0.80 -0.14 1.25 -1.50 0.00 0.00 178.83 179.04 2b1w h LEU 22 N 0.32 -0.40 -0.78 1.46 5.85 -1.03 -2.59 115.31 118.14 2b1w h LEU 22 Ca 0.07 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2b1w h LEU 22 Cb 0.61 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2b1w h LEU 22 CO 0.04 -0.20 0.51 -0.07 -0.34 0.00 0.00 178.44 178.38 2b1w h LEU 23 N -0.24 0.88 -0.81 2.25 4.07 -0.81 -1.48 115.31 119.17 2b1w h LEU 23 Ca 0.05 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 2b1w h LEU 23 Cb 0.29 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 2b1w h LEU 23 CO -0.13 0.63 -0.43 0.07 -1.08 0.00 0.00 178.44 177.50 2b1w h LYS 24 N 1.04 0.37 -0.17 1.13 2.10 -1.44 -2.14 116.57 117.46 2b1w h LYS 24 Ca 0.30 -0.19 -0.14 0.00 -2.00 0.00 0.00 60.65 58.62 2b1w h LYS 24 Cb -0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 2b1w h LYS 24 CO -0.08 0.73 -0.43 0.77 -2.00 0.00 0.00 179.45 178.44 2b1w h SER 25 N 0.30 0.68 -1.24 7.07 0.02 -0.95 -3.13 113.55 116.31 2b1w h SER 25 Ca 0.02 -0.57 -0.70 0.00 -0.84 0.00 0.00 61.79 59.71 2b1w h SER 25 Cb 0.88 -0.20 -0.29 0.00 0.14 0.00 0.00 62.40 62.93 2b1w h SER 25 CO 0.07 1.13 0.85 -0.46 -1.14 0.00 0.00 176.83 177.29 2b1w n ASN 26 N -4.24 7.55 -0.14 3.07 2.04 -0.63 -4.66 115.26 118.25 2b1w n ASN 26 Ca -0.06 -3.80 -0.06 0.00 -0.44 0.00 0.00 54.58 50.22 2b1w n ASN 26 Cb 0.55 -0.98 0.03 0.00 -2.53 0.00 0.00 39.78 36.86 2b1w n ASN 26 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2b1w h ARG 27 N 2.26 0.44 -0.44 -3.83 2.47 -1.33 -1.83 114.38 112.12 2b1w h ARG 27 Ca 0.59 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.25 2b1w h ARG 27 Cb 0.64 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2b1w h ARG 27 CO 1.53 0.29 0.15 0.93 0.56 0.00 0.00 179.97 183.43 2b1w h GLU 28 N 0.45 0.63 0.06 0.04 5.08 -1.87 0.28 114.58 119.25 2b1w h GLU 28 Ca 0.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2b1w h GLU 28 Cb 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2b1w h GLU 28 CO -0.12 0.54 -0.03 1.25 -1.00 0.00 0.00 179.01 179.65 2b1w h LEU 29 N 0.62 -0.06 -0.36 1.33 6.46 -1.78 -3.13 115.31 118.39 2b1w h LEU 29 Ca 0.15 -0.39 -0.19 0.00 -0.12 0.00 0.00 57.88 57.33 2b1w h LEU 29 Cb 0.16 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2b1w h LEU 29 CO -0.01 0.37 -0.64 -0.07 -0.62 0.00 0.00 178.44 177.47 2b1w h LEU 30 N -0.51 0.75 -0.83 2.25 4.07 -1.13 -3.25 115.31 116.66 2b1w h LEU 30 Ca -0.01 -0.44 0.01 0.00 0.08 0.00 0.00 57.88 57.53 2b1w h LEU 30 Cb 0.45 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 2b1w h LEU 30 CO 0.01 1.20 0.55 1.62 -1.08 0.00 0.00 178.44 180.74 2b1w h VAL 31 N 0.48 1.19 0.00 1.22 3.04 -0.49 -1.49 116.25 120.20 2b1w h VAL 31 Ca -0.01 -0.38 -0.07 0.00 -1.01 0.00 0.00 66.70 65.23 2b1w h VAL 31 Cb 1.22 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2b1w h VAL 31 CO 0.13 0.20 -0.33 0.00 -1.01 0.00 0.00 177.57 176.56 2b1w h THR 32 N 1.11 0.87 -0.92 3.17 1.03 -1.64 -3.35 112.91 113.17 2b1w h THR 32 Ca 0.31 -1.33 0.26 0.00 -0.01 0.00 0.00 66.41 65.65 2b1w h THR 32 Cb -0.10 1.80 -0.16 0.00 -1.07 0.00 0.00 68.15 68.63 2b1w h THR 32 CO -0.08 0.32 0.21 0.45 -0.01 0.00 0.00 175.52 176.42 2b1w h HIS 33 N 0.00 0.29 0.00 0.00 -0.00 -1.30 -3.44 115.15 110.70 2b1w h HIS 33 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2b1w h HIS 33 Cb 0.78 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 2b1w h HIS 33 CO 0.00 -0.30 0.00 1.51 -0.00 0.00 0.00 177.93 179.14 2b1w n ILE 34 N -5.30 0.00 0.01 2.45 0.13 -1.26 -4.96 119.36 110.44 2b1w n ILE 34 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.88 2b1w n ILE 34 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.56 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2b1w n ARG 35 N -1.85 0.00 0.00 9.51 5.12 -1.26 -5.01 116.66 123.16 2b1w n ARG 35 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2b1w n ARG 35 Cb 0.00 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 2b1w n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2b1w n ASN 36 N -3.01 0.00 0.30 0.55 4.05 -1.26 -4.60 115.26 111.28 2b1w n ASN 36 Ca 0.00 0.00 0.13 0.00 0.45 0.00 0.00 54.58 55.16 2b1w n ASN 36 Cb 0.33 0.00 0.63 0.00 1.23 0.00 0.00 39.78 41.97 2b1w n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b1w h THR 37 N 0.00 0.03 -0.31 -0.44 1.03 -1.95 0.16 112.91 111.44 2b1w h THR 37 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.49 2b1w h THR 37 Cb 0.00 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 67.58 2b1w h THR 37 CO 0.00 0.00 0.25 1.56 -0.01 0.00 0.00 175.52 177.32 2b1w h GLN 38 N 0.00 0.00 -0.42 0.00 1.08 -1.94 -2.24 115.11 111.59 2b1w h GLN 38 Ca 0.03 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2b1w h GLN 38 Cb 1.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 2b1w h GLN 38 CO -0.00 0.00 0.27 0.00 -0.95 0.00 0.00 178.83 178.15 2b1w h LEU 40 N 0.55 0.54 -0.44 0.00 8.10 -1.61 -2.43 115.31 120.02 2b1w h LEU 40 Ca 0.16 -0.30 -0.08 0.00 0.11 0.00 0.00 57.88 57.78 2b1w h LEU 40 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.01 2b1w h LEU 40 CO -0.05 1.00 -0.03 -0.37 -4.11 0.00 0.00 178.44 174.88 2b1w h VAL 41 N 0.37 1.27 0.00 0.15 -1.51 -1.42 0.36 116.25 115.46 2b1w h VAL 41 Ca 0.00 -1.09 -0.06 0.00 -1.23 0.00 0.00 66.70 64.32 2b1w h VAL 41 Cb 1.11 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2b1w h VAL 41 CO 0.10 0.37 -0.30 -2.24 -1.23 0.00 0.00 177.57 174.28 2b1w h ASP 42 N 0.63 0.00 0.06 4.19 3.04 -1.47 0.11 116.42 122.97 2b1w h ASP 42 Ca 0.12 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.71 2b1w h ASP 42 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2b1w h ASP 42 CO 0.03 0.30 -0.75 -1.13 -2.04 0.00 0.00 179.24 175.65 2b1w h ASN 43 N 0.00 0.70 0.68 4.15 -1.24 -0.92 -0.78 115.58 118.17 2b1w h ASN 43 Ca -0.00 -0.46 -0.19 0.00 0.71 0.00 0.00 56.30 56.36 2b1w h ASN 43 Cb 0.53 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 2b1w h ASN 43 CO 0.04 1.23 -0.86 0.17 -1.29 0.00 0.00 177.43 176.72 2b1w h LEU 44 N 0.41 0.16 -0.04 0.34 8.10 0.08 0.47 115.31 124.83 2b1w h LEU 44 Ca -0.04 -0.13 0.02 0.00 0.11 0.00 0.00 57.88 57.84 2b1w h LEU 44 Cb 1.35 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 41.50 2b1w h LEU 44 CO 0.14 0.94 -0.05 0.25 -4.11 0.00 0.00 178.44 175.61 2b1w h LEU 45 N 0.06 -0.15 -0.03 0.17 7.12 -0.73 0.19 115.31 121.94 2b1w h LEU 45 Ca -0.03 0.03 -0.26 0.00 0.13 0.00 0.00 57.88 57.75 2b1w h LEU 45 Cb 1.49 0.07 0.02 0.00 -0.53 0.00 0.00 40.66 41.71 2b1w h LEU 45 CO 0.12 -0.07 -1.05 0.50 -0.13 0.00 0.00 178.44 177.81 2b1w h LYS 46 N -0.07 0.62 0.00 1.25 1.63 -0.71 -3.34 116.57 115.95 2b1w h LYS 46 Ca 0.04 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 2b1w h LYS 46 Cb 0.12 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2b1w h LYS 46 CO -0.08 1.28 -1.39 0.09 -3.45 0.00 0.00 179.45 175.90 2b1w n ASN 47 N -3.82 0.62 -2.03 4.20 3.02 0.16 -5.00 115.26 112.42 2b1w n ASN 47 Ca -0.10 -0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 53.68 2b1w n ASN 47 Cb 0.89 1.40 -0.02 0.00 -0.61 0.00 0.00 39.78 41.44 2b1w n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2b1w n ASP 48 N -1.80 -5.46 0.00 6.41 8.00 0.67 -4.61 116.55 119.77 2b1w n ASP 48 Ca 0.01 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2b1w n ASP 48 Cb 0.42 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 2b1w n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b1w n TYR 49 N -3.69 0.00 -0.56 1.24 4.11 -1.25 -4.95 117.16 112.06 2b1w n TYR 49 Ca -0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.64 2b1w n TYR 49 Cb 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.95 2b1w n TYR 49 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2b1w n PHE 50 N 0.00 0.00 -1.79 -3.48 3.72 -1.26 -4.33 117.46 110.31 2b1w n PHE 50 Ca 0.00 -0.97 -0.23 0.00 -0.05 0.00 0.00 57.45 56.19 2b1w n PHE 50 Cb 0.00 -0.80 0.16 0.00 -0.94 0.00 0.00 39.48 37.90 2b1w n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2b1w n SER 51 N 1.97 0.14 -0.17 4.37 3.41 -1.26 -4.31 113.62 117.76 2b1w n SER 51 Ca 0.13 -1.42 0.22 0.00 -0.26 0.00 0.00 58.87 57.55 2b1w n SER 51 Cb 0.54 -0.80 0.62 0.00 -0.26 0.00 0.00 64.21 64.30 2b1w n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b1w h ALA 52 N -1.76 2.48 -0.04 7.33 0.00 -1.91 0.21 119.26 125.56 2b1w h ALA 52 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2b1w h ALA 52 Cb 0.96 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2b1w h ALA 52 CO 0.25 -0.72 -0.00 0.93 0.00 0.00 0.00 179.25 179.70 2b1w h GLU 53 N 0.19 0.08 -0.53 0.00 5.08 -1.91 0.42 114.58 117.92 2b1w h GLU 53 Ca 0.41 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2b1w h GLU 53 Cb 1.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2b1w h GLU 53 CO -0.08 0.37 0.22 0.22 -1.00 0.00 0.00 179.01 178.74 2b1w h ASP 54 N -0.22 0.72 -0.19 1.42 3.58 -1.38 -2.26 116.42 118.09 2b1w h ASP 54 Ca 0.01 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.32 2b1w h ASP 54 Cb 0.33 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2b1w h ASP 54 CO 0.00 0.68 0.08 0.00 -2.88 0.00 0.00 179.24 177.13 2b1w h ALA 55 N 1.07 0.22 -0.62 -0.78 0.00 -0.52 -2.95 119.26 115.67 2b1w h ALA 55 Ca 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2b1w h ALA 55 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2b1w h ALA 55 CO -0.02 -0.34 0.19 1.49 0.00 0.00 0.00 179.25 180.58 2b1w h GLU 56 N 0.19 0.97 0.13 0.00 4.81 0.04 -0.10 114.58 120.62 2b1w h GLU 56 Ca 0.08 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2b1w h GLU 56 Cb 0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2b1w h GLU 56 CO -0.07 0.86 -0.06 0.82 -0.73 0.00 0.00 179.01 179.83 2b1w h ILE 57 N 0.89 0.90 -0.15 2.32 1.08 -1.31 -2.82 117.51 118.41 2b1w h ILE 57 Ca 0.20 -0.09 -0.16 0.00 -0.39 0.00 0.00 64.86 64.43 2b1w h ILE 57 Cb 0.29 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2b1w h ILE 57 CO -0.01 0.02 -0.57 0.58 -0.69 0.00 0.00 178.15 177.49 2b1w h VAL 58 N -0.21 1.34 -0.27 1.67 2.07 -1.49 -3.12 116.25 116.24 2b1w h VAL 58 Ca -0.02 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 65.74 2b1w h VAL 58 Cb 0.17 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2b1w h VAL 58 CO 0.03 0.56 0.40 0.00 0.02 0.00 0.00 177.57 178.58 2b1w h ALA 60 N 1.46 1.94 0.00 0.00 0.00 -1.46 -0.75 119.26 120.44 2b1w h ALA 60 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2b1w h ALA 60 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2b1w h ALA 60 CO -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 179.25 178.56 2b1w n PRO 62 N -2.63 1.72 -0.67 0.00 -0.05 -1.25 -5.01 135.00 127.12 2b1w n PRO 62 Ca -0.01 -0.84 0.09 0.00 -0.05 0.00 0.00 63.50 62.69 2b1w n PRO 62 Cb 0.02 -1.52 -0.02 0.00 -0.05 0.00 0.00 33.50 31.93 2b1w n PRO 62 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2b1w n THR 63 N 0.11 0.00 -0.08 0.52 -2.24 -0.29 -2.75 114.28 109.56 2b1w n THR 63 Ca 0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 2b1w n THR 63 Cb 0.66 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2b1w n THR 63 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2b1w h GLN 64 N 0.00 0.43 -0.83 -0.78 4.15 -1.92 -2.81 115.11 113.36 2b1w h GLN 64 Ca 0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2b1w h GLN 64 Cb 0.61 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 2b1w h GLN 64 CO 0.00 0.65 0.46 -1.35 -1.93 0.00 0.00 178.83 176.66 2b1w h PRO 65 N 0.18 1.15 -0.03 -2.39 0.11 -1.97 -1.53 132.00 127.51 2b1w h PRO 65 Ca 0.06 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 2b1w h PRO 65 Cb 0.48 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2b1w h PRO 65 CO 0.02 0.84 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.70 2b1w h ASP 66 N 1.15 0.10 -0.94 -2.05 3.32 -1.59 -2.87 116.42 113.53 2b1w h ASP 66 Ca 0.29 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.36 2b1w h ASP 66 Cb 0.02 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2b1w h ASP 66 CO -0.05 0.60 0.61 0.50 -1.72 0.00 0.00 179.24 179.18 2b1w h LYS 67 N 0.07 1.06 -0.29 3.56 1.63 -1.03 -1.88 116.57 119.70 2b1w h LYS 67 Ca -0.00 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.59 2b1w h LYS 67 Cb 0.94 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2b1w h LYS 67 CO 0.07 0.70 -0.39 -0.39 -3.45 0.00 0.00 179.45 175.98 2b1w h VAL 68 N 1.09 1.29 -0.83 2.00 -1.51 -1.16 -2.33 116.25 114.79 2b1w h VAL 68 Ca 0.41 -1.56 0.14 0.00 -1.23 0.00 0.00 66.70 64.45 2b1w h VAL 68 Cb 0.18 1.49 -0.09 0.00 -2.13 0.00 0.00 31.29 30.75 2b1w h VAL 68 CO -0.16 0.50 0.42 -0.09 -1.23 0.00 0.00 177.57 177.01 2b1w h ARG 69 N 0.57 0.59 -1.00 5.19 9.65 -1.26 -0.94 114.38 127.17 2b1w h ARG 69 Ca 0.05 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2b1w h ARG 69 Cb 0.93 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.32 2b1w h ARG 69 CO 0.08 0.39 0.66 -0.22 2.80 0.00 0.00 179.97 183.69 2b1w h LYS 70 N 0.61 1.27 -0.20 0.20 3.11 -0.86 0.30 116.57 121.00 2b1w h LYS 70 Ca 0.45 -0.08 -0.06 0.00 -2.81 0.00 0.00 60.65 58.15 2b1w h LYS 70 Cb 0.61 -0.29 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 2b1w h LYS 70 CO -0.35 0.84 -0.09 -0.84 -2.81 0.00 0.00 179.45 176.19 2b1w h ILE 71 N 1.31 1.31 -0.06 2.00 3.07 -0.80 -2.49 117.51 121.85 2b1w h ILE 71 Ca 0.39 -1.15 -0.09 0.00 1.55 0.00 0.00 64.86 65.56 2b1w h ILE 71 Cb -0.07 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2b1w h ILE 71 CO -0.11 0.35 -0.37 -0.07 -1.05 0.00 0.00 178.15 176.90 2b1w h LEU 72 N 0.10 0.13 -0.62 0.16 -0.00 -1.23 -2.85 115.31 111.00 2b1w h LEU 72 Ca 0.04 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2b1w h LEU 72 Cb 0.58 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 2b1w h LEU 72 CO 0.03 0.49 0.39 -0.78 -0.00 0.00 0.00 178.44 178.57 2b1w h ASP 73 N 0.11 0.64 0.49 -0.43 3.58 -0.08 0.17 116.42 120.90 2b1w h ASP 73 Ca 0.01 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.28 2b1w h ASP 73 Cb 0.71 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2b1w h ASP 73 CO 0.05 0.45 -0.78 -0.07 -2.88 0.00 0.00 179.24 176.01 2b1w h LEU 74 N 0.77 0.28 -0.32 2.28 4.07 -1.38 -3.23 115.31 117.78 2b1w h LEU 74 Ca 0.24 -0.20 -0.19 0.00 0.08 0.00 0.00 57.88 57.82 2b1w h LEU 74 Cb -0.01 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2b1w h LEU 74 CO -0.09 0.95 -0.55 1.62 -1.08 0.00 0.00 178.44 179.29 2b1w h VAL 75 N 0.14 1.28 0.00 1.22 3.04 -1.19 -3.46 116.25 117.28 2b1w h VAL 75 Ca -0.03 -1.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.92 2b1w h VAL 75 Cb 1.37 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 2b1w h VAL 75 CO 0.12 0.57 0.00 0.00 -1.01 0.00 0.00 177.57 177.25 2b1w n GLN 76 N -4.00 0.00 0.00 4.17 6.02 0.55 -4.28 117.38 119.84 2b1w n GLN 76 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2b1w n GLN 76 Cb 0.63 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2b1w n GLN 76 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2b1w n SER 77 N 0.11 0.00 0.21 1.08 7.64 -1.26 -4.83 113.62 116.57 2b1w n SER 77 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2b1w n SER 77 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b1w h LYS 78 N 0.00 -0.65 -0.54 1.43 1.79 -1.94 -0.57 116.57 116.09 2b1w h LYS 78 Ca 0.00 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.62 2b1w h LYS 78 Cb 0.00 0.15 -0.11 0.00 -1.58 0.00 0.00 32.23 30.69 2b1w h LYS 78 CO 0.00 -0.43 -0.22 0.78 -1.08 0.00 0.00 179.45 178.50 2b1w h GLY 79 N -0.68 0.18 0.20 3.86 0.00 -1.88 0.24 103.07 105.00 2b1w h GLY 79 Ca -0.05 0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.66 2b1w h GLY 79 CO -0.01 -0.22 -0.03 -2.09 0.00 0.00 0.00 176.54 174.19 2b1w h GLU 80 N -0.09 0.08 -0.11 4.80 4.81 -1.74 0.27 114.58 122.60 2b1w h GLU 80 Ca 0.25 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2b1w h GLU 80 Cb 0.48 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2b1w h GLU 80 CO -0.60 0.05 -0.11 1.49 -0.73 0.00 0.00 179.01 179.10 2b1w h GLU 81 N 0.08 0.27 -0.15 1.92 4.81 0.54 -3.08 114.58 118.98 2b1w h GLU 81 Ca 0.23 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 2b1w h GLU 81 Cb 0.34 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.73 2b1w h GLU 81 CO -0.41 0.68 -0.76 -0.39 -0.73 0.00 0.00 179.01 177.41 2b1w h VAL 82 N -0.12 1.29 -0.23 0.32 -1.51 -0.39 -2.91 116.25 112.71 2b1w h VAL 82 Ca 0.02 -1.99 -0.01 0.00 -1.23 0.00 0.00 66.70 63.49 2b1w h VAL 82 Cb 0.63 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2b1w h VAL 82 CO 0.03 0.63 0.11 0.28 -1.23 0.00 0.00 177.57 177.38 2b1w h SER 83 N 0.51 0.29 -0.57 4.19 0.02 -0.52 0.29 113.55 117.77 2b1w h SER 83 Ca -0.05 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2b1w h SER 83 Cb 1.38 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 2b1w h SER 83 CO 0.15 0.33 -0.02 1.05 -1.14 0.00 0.00 176.83 177.20 2b1w h GLU 84 N 0.23 1.03 -0.12 3.45 4.11 -1.63 -2.40 114.58 119.26 2b1w h GLU 84 Ca 0.08 -0.33 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 2b1w h GLU 84 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2b1w h GLU 84 CO -0.01 1.02 0.06 0.35 0.07 0.00 0.00 179.01 180.50 2b1w h PHE 85 N 0.94 0.17 -0.03 2.06 3.57 -1.21 -2.41 116.94 120.03 2b1w h PHE 85 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2b1w h PHE 85 Cb 0.57 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2b1w h PHE 85 CO 0.04 0.22 -0.03 0.35 -2.23 0.00 0.00 178.31 176.66 2b1w h PHE 86 N 0.07 0.08 -0.05 0.41 3.04 -0.38 -0.34 116.94 119.77 2b1w h PHE 86 Ca 0.04 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 2b1w h PHE 86 Cb 0.12 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 2b1w h PHE 86 CO -0.03 0.58 -0.26 1.37 -2.02 0.00 0.00 178.31 177.95 2b1w h LEU 87 N -0.43 0.09 -0.61 0.59 8.10 -1.51 -1.11 115.31 120.42 2b1w h LEU 87 Ca 0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 57.88 57.82 2b1w h LEU 87 Cb 0.57 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2b1w h LEU 87 CO 0.01 0.35 -0.65 1.88 -4.11 0.00 0.00 178.44 175.92 2b1w h TYR 88 N 0.08 0.24 -0.65 0.17 0.05 -1.36 -1.79 116.97 113.71 2b1w h TYR 88 Ca 0.01 -0.10 0.13 0.00 0.05 0.00 0.00 58.73 58.82 2b1w h TYR 88 Cb 0.51 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.11 2b1w h TYR 88 CO 0.00 0.78 0.16 -0.07 -1.05 0.00 0.00 178.16 177.98 2b1w h LEU 89 N 0.13 0.04 -0.37 3.88 3.38 0.28 0.62 115.31 123.27 2b1w h LEU 89 Ca -0.01 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2b1w h LEU 89 Cb 1.17 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2b1w h LEU 89 CO 0.10 0.01 -0.09 -0.07 0.09 0.00 0.00 178.44 178.48 2b1w h LEU 90 N 0.29 0.73 0.06 1.67 -0.00 -1.44 -3.39 115.31 113.23 2b1w h LEU 90 Ca 0.35 -0.36 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2b1w h LEU 90 Cb 0.54 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2b1w h LEU 90 CO -0.43 0.92 -0.03 -0.61 -0.00 0.00 0.00 178.44 178.30 2b1w h GLN 91 N 0.52 -0.08 0.00 1.13 4.15 -0.11 -3.49 115.11 117.24 2b1w h GLN 91 Ca 0.09 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2b1w h GLN 91 Cb 0.61 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2b1w h GLN 91 CO 0.04 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 2b1w n GLN 92 N -4.77 0.00 -0.24 1.69 10.64 0.20 -5.00 117.38 119.90 2b1w n GLN 92 Ca -0.07 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.08 2b1w n GLN 92 Cb 0.29 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.76 2b1w n GLN 92 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2b1w h LEU 93 N 0.00 0.65 -0.37 2.61 3.38 -1.79 0.36 115.31 120.15 2b1w h LEU 93 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2b1w h LEU 93 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2b1w h LEU 93 CO 0.00 0.43 0.23 0.00 0.09 0.00 0.00 178.44 179.19 2b1w h ALA 94 N 1.33 0.47 0.02 1.53 0.00 -1.96 -1.48 119.26 119.17 2b1w h ALA 94 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2b1w h ALA 94 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b1w h ALA 94 CO -0.15 -0.05 -0.28 0.22 0.00 0.00 0.00 179.25 178.99 2b1w h ASP 95 N 0.49 0.07 0.04 0.00 3.58 -1.88 -3.33 116.42 115.39 2b1w h ASP 95 Ca 0.13 -0.94 -0.07 0.00 0.42 0.00 0.00 57.03 56.58 2b1w h ASP 95 Cb -0.03 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.01 2b1w h ASP 95 CO -0.03 1.12 -0.29 0.00 -2.88 0.00 0.00 179.24 177.16 2b1w h ALA 96 N -0.04 -0.02 -0.04 -0.78 0.00 -0.36 -3.06 119.26 114.96 2b1w h ALA 96 Ca -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2b1w h ALA 96 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2b1w h ALA 96 CO -0.00 0.12 -0.11 -0.92 0.00 0.00 0.00 179.25 178.34 2b1w h TYR 97 N -0.69 0.20 -0.50 0.00 3.20 -1.35 -0.05 116.97 117.78 2b1w h TYR 97 Ca -0.05 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.66 2b1w h TYR 97 Cb 1.17 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2b1w h TYR 97 CO 0.23 0.72 -0.03 0.28 -1.64 0.00 0.00 178.16 177.72 2b1w h VAL 98 N -0.39 1.25 0.00 1.81 2.07 -1.66 -2.15 116.25 117.18 2b1w h VAL 98 Ca -0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2b1w h VAL 98 Cb 0.72 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2b1w h VAL 98 CO 0.02 0.38 0.00 -0.78 0.02 0.00 0.00 177.57 177.22 2b1w h ASP 99 N 0.79 0.00 0.31 0.57 3.58 -1.51 -3.24 116.42 116.92 2b1w h ASP 99 Ca 0.15 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2b1w h ASP 99 Cb 0.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2b1w h ASP 99 CO 0.03 0.00 -0.29 0.25 -2.88 0.00 0.00 179.24 176.35 2b1w h LEU 100 N 0.00 0.00 0.10 2.28 6.46 -0.30 -2.97 115.31 120.88 2b1w h LEU 100 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2b1w h LEU 100 Cb 0.63 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2b1w h LEU 100 CO 0.00 0.29 -0.16 0.03 -0.62 0.00 0.00 178.44 177.98 2b1w h ARG 101 N 0.00 -0.30 -0.69 1.25 2.47 -1.65 -1.23 114.38 114.23 2b1w h ARG 101 Ca -0.00 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2b1w h ARG 101 Cb 0.52 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 2b1w h ARG 101 CO 0.04 -0.20 0.45 -1.35 0.56 0.00 0.00 179.97 179.46 2b1w h PRO 102 N -0.31 0.91 -0.01 0.04 0.11 -1.80 -3.18 132.00 127.75 2b1w h PRO 102 Ca 0.02 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.10 2b1w h PRO 102 Cb 0.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 2b1w h PRO 102 CO -0.08 0.61 -0.13 -1.49 -0.21 0.00 0.00 178.00 176.69 2b1w h TRP 103 N 0.93 -0.34 -0.25 0.65 6.55 -1.09 -2.06 115.95 120.33 2b1w h TRP 103 Ca 0.25 0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.96 2b1w h TRP 103 Cb -0.10 0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 2b1w h TRP 103 CO 0.00 -0.20 -0.42 1.37 -1.05 0.00 0.00 178.44 178.14 2b1w h LEU 104 N -0.22 0.66 -0.57 -4.49 8.10 -1.37 -1.85 115.31 115.58 2b1w h LEU 104 Ca 0.05 -0.30 -0.16 0.00 0.11 0.00 0.00 57.88 57.58 2b1w h LEU 104 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 2b1w h LEU 104 CO -0.14 1.00 -0.56 0.17 -4.11 0.00 0.00 178.44 174.79 2b1w h LEU 105 N 0.50 0.51 -0.12 0.17 8.10 -1.50 0.41 115.31 123.38 2b1w h LEU 105 Ca 0.04 -0.28 -0.07 0.00 0.11 0.00 0.00 57.88 57.68 2b1w h LEU 105 Cb 0.94 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 41.02 2b1w h LEU 105 CO 0.08 0.97 -0.20 -0.33 -4.11 0.00 0.00 178.44 174.85 2b1w h GLU 106 N 0.35 0.36 0.00 0.17 5.08 -1.30 -3.31 114.58 115.93 2b1w h GLU 106 Ca 0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2b1w h GLU 106 Cb 1.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2b1w h GLU 106 CO 0.10 0.80 -0.29 0.97 -1.00 0.00 0.00 179.01 179.59 2b1w h ILE 107 N -0.06 0.53 -0.96 3.13 6.09 -1.24 -3.01 117.51 121.99 2b1w h ILE 107 Ca 0.01 -1.60 0.22 0.00 -1.37 0.00 0.00 64.86 62.12 2b1w h ILE 107 Cb 0.77 2.14 -0.08 0.00 0.47 0.00 0.00 36.82 40.12 2b1w h ILE 107 CO 0.05 0.28 0.63 1.23 -3.07 0.00 0.00 178.15 177.27 2b1w h GLY 108 N 3.28 1.08 0.00 8.18 0.00 -0.99 -3.45 103.07 111.17 2b1w h GLY 108 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2b1w h GLY 108 CO 0.04 -0.05 0.00 0.33 0.00 0.00 0.00 176.54 176.86 2b1w n PHE 109 N -4.57 0.00 -1.72 5.60 7.35 -1.14 -5.11 117.46 117.87 2b1w n PHE 109 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b1w n PHE 109 Cb 0.74 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.52 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43