#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpb n GLU 4 N 0.00 2.79 -1.73 -1.09 2.13 -1.26 -4.93 120.64 116.55 1wpb n GLU 4 Ca 0.00 1.01 -0.38 0.00 0.66 0.00 0.00 57.16 58.45 1wpb n GLU 4 Cb 0.00 -2.86 0.06 0.00 0.27 0.00 0.00 31.44 28.90 1wpb n GLU 4 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wpb n SER 5 N 4.22 2.27 0.08 4.31 2.88 -1.26 -4.91 113.62 121.21 1wpb n SER 5 Ca 0.16 0.90 0.17 0.00 -1.33 0.00 0.00 58.87 58.77 1wpb n SER 5 Cb 0.35 -1.56 0.70 0.00 -0.75 0.00 0.00 64.21 62.95 1wpb n SER 5 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1wpb h THR 6 N 0.94 0.75 0.00 2.46 1.35 -1.92 -0.33 112.91 116.17 1wpb h THR 6 Ca -0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1wpb h THR 6 Cb 1.33 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1wpb h THR 6 CO 0.55 0.00 -0.01 0.24 -0.25 0.00 0.00 175.52 176.05 1wpb h MET 7 N 0.00 0.00 -0.35 4.72 2.86 -1.91 -1.84 114.93 118.41 1wpb h MET 7 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1wpb h MET 7 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1wpb h MET 7 CO -0.00 0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1wpb n GLU 8 N -3.70 2.29 -1.68 1.72 1.02 -0.13 -4.98 120.64 115.18 1wpb n GLU 8 Ca -0.03 -1.96 -0.34 0.00 -0.02 0.00 0.00 57.16 54.81 1wpb n GLU 8 Cb 0.09 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1wpb n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpb s MET 9 N -1.54 2.54 0.74 3.49 0.23 -0.69 -4.99 119.30 119.08 1wpb s MET 9 Ca 0.37 1.70 -0.12 0.00 -1.03 0.00 0.00 55.69 56.61 1wpb s MET 9 Cb 0.21 -1.89 0.04 0.00 -1.53 0.00 0.00 34.83 31.66 1wpb s MET 9 CO 0.30 -1.51 1.12 0.95 -2.03 0.00 0.00 175.02 173.85 1wpb s THR 10 N -1.94 2.99 0.31 3.16 -4.23 -1.26 -4.87 115.64 109.80 1wpb s THR 10 Ca 0.74 0.32 0.03 0.00 -1.18 0.00 0.00 61.69 61.60 1wpb s THR 10 Cb -0.28 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.38 1wpb s THR 10 CO 0.41 -0.42 1.81 0.78 -0.54 0.00 0.00 174.62 176.66 1wpb h ASN 11 N -0.81 0.50 -0.82 3.99 2.35 -1.99 -0.40 115.58 118.40 1wpb h ASN 11 Ca -0.45 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.22 1wpb h ASN 11 Cb 1.28 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.46 1wpb h ASN 11 CO 0.64 0.64 0.51 0.00 -1.65 0.00 0.00 177.43 177.57 1wpb h ALA 12 N 1.42 1.11 -0.29 -0.83 0.00 -1.99 -0.72 119.26 117.96 1wpb h ALA 12 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1wpb h ALA 12 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wpb h ALA 12 CO 0.02 0.28 -0.33 1.96 0.00 0.00 0.00 179.25 181.19 1wpb h GLN 13 N 0.96 0.63 -0.57 0.00 4.20 -1.68 -0.59 115.11 118.05 1wpb h GLN 13 Ca 0.35 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wpb h GLN 13 Cb 0.11 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1wpb h GLN 13 CO -0.15 0.87 0.37 0.00 -0.67 0.00 0.00 178.83 179.25 1wpb h ARG 14 N 0.53 0.76 -0.36 1.46 2.47 -0.75 -0.95 114.38 117.54 1wpb h ARG 14 Ca 0.06 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1wpb h ARG 14 Cb 0.82 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1wpb h ARG 14 CO 0.07 0.52 -0.02 1.25 0.56 0.00 0.00 179.97 182.34 1wpb h LEU 15 N 0.78 0.64 -0.55 3.04 5.85 -0.77 -0.68 115.31 123.62 1wpb h LEU 15 Ca 0.21 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1wpb h LEU 15 Cb -0.07 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 1wpb h LEU 15 CO -0.04 0.81 0.16 0.40 -0.34 0.00 0.00 178.44 179.43 1wpb h ILE 16 N 0.46 0.74 -0.13 4.05 2.04 -0.97 -0.83 117.51 122.86 1wpb h ILE 16 Ca 0.10 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1wpb h ILE 16 Cb 0.50 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1wpb h ILE 16 CO 0.02 0.06 0.03 -0.07 0.00 0.00 0.00 178.15 178.19 1wpb h LEU 17 N 0.32 0.20 -0.74 1.44 3.38 -1.00 -1.38 115.31 117.53 1wpb h LEU 17 Ca 0.28 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1wpb h LEU 17 Cb 0.36 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1wpb h LEU 17 CO -0.32 0.39 0.43 -1.28 0.09 0.00 0.00 178.44 177.75 1wpb h SER 18 N 0.01 0.64 -0.70 -0.43 0.87 -0.94 -1.20 113.55 111.80 1wpb h SER 18 Ca 0.04 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1wpb h SER 18 Cb 0.27 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1wpb h SER 18 CO 0.00 0.40 0.40 0.78 -0.53 0.00 0.00 176.83 177.89 1wpb h ASN 19 N 0.77 0.86 -0.71 6.23 2.35 -1.00 -2.00 115.58 122.08 1wpb h ASN 19 Ca 0.34 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1wpb h ASN 19 Cb 0.21 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1wpb h ASN 19 CO -0.19 0.69 0.38 1.56 -1.65 0.00 0.00 177.43 178.22 1wpb h GLN 20 N 0.96 0.99 -0.20 0.81 4.20 -0.36 -0.42 115.11 121.08 1wpb h GLN 20 Ca 0.25 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1wpb h GLN 20 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1wpb h GLN 20 CO -0.04 0.75 -0.13 1.88 -0.67 0.00 0.00 178.83 180.62 1wpb h TYR 21 N 0.97 0.35 -0.17 2.96 0.05 -0.87 0.32 116.97 120.59 1wpb h TYR 21 Ca 0.25 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 1wpb h TYR 21 Cb 0.05 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1wpb h TYR 21 CO -0.00 0.46 0.03 0.87 -1.05 0.00 0.00 178.16 178.46 1wpb h LYS 22 N 0.31 0.29 -0.39 4.88 1.57 -0.83 -2.07 116.57 120.33 1wpb h LYS 22 Ca 0.06 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1wpb h LYS 22 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1wpb h LYS 22 CO 0.02 0.46 -0.13 0.52 -0.57 0.00 0.00 179.45 179.75 1wpb h MET 23 N 0.07 0.70 -0.55 3.15 2.86 -0.51 -2.33 114.93 118.31 1wpb h MET 23 Ca 0.05 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1wpb h MET 23 Cb 0.31 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1wpb h MET 23 CO 0.00 0.80 0.15 0.52 1.06 0.00 0.00 176.91 179.45 1wpb h MET 24 N 0.63 0.84 -0.58 1.72 2.86 -0.32 -0.93 114.93 119.15 1wpb h MET 24 Ca 0.11 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1wpb h MET 24 Cb 0.59 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1wpb h MET 24 CO 0.04 0.74 0.12 1.15 1.06 0.00 0.00 176.91 180.02 1wpb h THR 25 N 0.81 1.24 -0.46 2.22 2.02 -1.04 0.34 112.91 118.04 1wpb h THR 25 Ca 0.18 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1wpb h THR 25 Cb 0.27 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1wpb h THR 25 CO -0.00 0.33 0.12 0.24 0.37 0.00 0.00 175.52 176.58 1wpb h MET 26 N 0.87 0.74 0.03 6.66 2.86 -0.85 -2.53 114.93 122.72 1wpb h MET 26 Ca 0.19 -0.18 -0.22 0.00 -2.06 0.00 0.00 59.70 57.43 1wpb h MET 26 Cb 0.34 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1wpb h MET 26 CO 0.00 0.73 -0.98 -0.07 1.06 0.00 0.00 176.91 177.65 1wpb h LEU 27 N 0.62 0.22 -5.99 1.22 3.38 -0.91 -3.40 115.31 110.46 1wpb h LEU 27 Ca 0.15 -0.21 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1wpb h LEU 27 Cb 0.32 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 40.60 1wpb h LEU 27 CO 0.00 1.07 -1.13 -0.67 0.09 0.00 0.00 178.44 177.80 1wpb n ASP 28 N -3.56 0.65 0.30 -0.43 2.03 0.12 -4.97 116.55 110.70 1wpb n ASP 28 Ca -0.04 -2.88 0.18 0.00 0.52 0.00 0.00 54.79 52.57 1wpb n ASP 28 Cb 0.88 -0.63 0.92 0.00 -0.72 0.00 0.00 41.12 41.57 1wpb n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wpb h PRO 29 N 3.49 0.00 -0.74 -0.67 0.13 -1.65 -0.88 132.00 131.68 1wpb h PRO 29 Ca 0.09 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.41 1wpb h PRO 29 Cb 0.91 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 1wpb h PRO 29 CO 0.49 0.03 0.52 0.00 -0.23 0.00 0.00 178.00 178.81 1wpb h ALA 30 N 1.97 2.51 -0.51 -0.56 0.00 -1.93 -1.88 119.26 118.86 1wpb h ALA 30 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1wpb h ALA 30 Cb 0.25 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1wpb h ALA 30 CO 0.00 -0.72 0.12 0.09 0.00 0.00 0.00 179.25 178.74 1wpb n ASN 31 N -4.38 3.92 -0.28 0.00 3.02 -0.34 -4.66 115.26 112.55 1wpb n ASN 31 Ca 0.15 -3.32 0.21 0.00 -0.03 0.00 0.00 54.58 51.59 1wpb n ASN 31 Cb 0.72 -0.66 0.51 0.00 -0.61 0.00 0.00 39.78 39.74 1wpb n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpb h ALA 32 N 1.91 2.22 -0.50 5.41 0.00 -1.41 -1.81 119.26 125.09 1wpb h ALA 32 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1wpb h ALA 32 Cb 1.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1wpb h ALA 32 CO 0.52 -0.55 0.07 1.49 0.00 0.00 0.00 179.25 180.77 1wpb h GLU 33 N 0.41 0.83 -0.42 0.00 4.81 -1.85 0.90 114.58 119.26 1wpb h GLU 33 Ca 0.52 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1wpb h GLU 33 Cb 1.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1wpb h GLU 33 CO -0.22 0.83 0.22 -0.09 -0.73 0.00 0.00 179.01 179.02 1wpb h ARG 34 N 0.70 0.59 -0.09 1.92 2.43 -1.72 -2.23 114.38 115.99 1wpb h ARG 34 Ca 0.15 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 59.01 1wpb h ARG 34 Cb 0.41 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1wpb h ARG 34 CO 0.01 0.49 -0.86 1.88 -1.51 0.00 0.00 179.97 179.98 1wpb h TYR 35 N 0.53 0.96 -0.74 2.20 0.05 -1.14 -2.62 116.97 116.21 1wpb h TYR 35 Ca 0.14 -0.46 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 1wpb h TYR 35 Cb 0.08 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1wpb h TYR 35 CO -0.02 1.28 0.40 -0.09 -1.05 0.00 0.00 178.16 178.68 1wpb h ARG 36 N 0.45 1.05 -0.45 4.88 9.65 -0.86 0.61 114.38 129.70 1wpb h ARG 36 Ca -0.07 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.70 1wpb h ARG 36 Cb 1.49 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.84 1wpb h ARG 36 CO 0.17 0.79 0.27 -0.09 2.80 0.00 0.00 179.97 183.90 1wpb h ARG 37 N 1.03 0.52 -0.39 0.20 2.43 -1.37 -0.69 114.38 116.11 1wpb h ARG 37 Ca 0.26 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1wpb h ARG 37 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1wpb h ARG 37 CO -0.04 0.34 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.61 1wpb h LEU 38 N 0.53 0.75 -0.85 3.80 3.38 -1.24 -2.01 115.31 119.67 1wpb h LEU 38 Ca 0.18 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.90 1wpb h LEU 38 Cb 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 1wpb h LEU 38 CO -0.09 0.93 0.48 -0.61 0.09 0.00 0.00 178.44 179.25 1wpb h GLN 39 N 0.56 0.77 -0.46 1.13 4.15 -0.68 -1.12 115.11 119.45 1wpb h GLN 39 Ca 0.10 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 1wpb h GLN 39 Cb 0.59 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1wpb h GLN 39 CO 0.04 0.51 0.06 1.15 -1.93 0.00 0.00 178.83 178.65 1wpb h THR 40 N 0.79 1.25 -0.65 2.39 2.02 -0.79 -0.26 112.91 117.66 1wpb h THR 40 Ca 0.42 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1wpb h THR 40 Cb 0.42 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1wpb h THR 40 CO -0.27 0.33 0.39 0.40 0.37 0.00 0.00 175.52 176.74 1wpb h ILE 41 N 0.64 1.05 -0.07 3.11 2.04 -0.83 0.66 117.51 124.11 1wpb h ILE 41 Ca 0.14 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1wpb h ILE 41 Cb 0.41 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1wpb h ILE 41 CO 0.01 0.14 -0.14 0.40 0.00 0.00 0.00 178.15 178.56 1wpb h ILE 42 N 0.75 1.41 -0.39 -0.67 1.08 -1.06 -0.13 117.51 118.51 1wpb h ILE 42 Ca 0.27 -1.42 -0.04 0.00 -0.39 0.00 0.00 64.86 63.28 1wpb h ILE 42 Cb 0.06 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1wpb h ILE 42 CO -0.12 0.40 0.10 -0.33 -0.69 0.00 0.00 178.15 177.50 1wpb h GLU 43 N -0.25 0.62 0.00 2.37 5.08 -0.88 -2.96 114.58 118.56 1wpb h GLU 43 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wpb h GLU 43 Cb 0.71 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wpb h GLU 43 CO 0.03 0.65 -0.15 0.54 -1.00 0.00 0.00 179.01 179.07 1wpb n ARG 44 N -4.58 0.06 -3.25 2.33 1.74 0.21 -4.95 116.66 108.22 1wpb n ARG 44 Ca -0.01 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 1wpb n ARG 44 Cb 0.20 -1.56 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1wpb n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wpb n GLY 45 N 1.46 -0.25 3.56 -0.13 0.00 -0.14 -4.89 105.19 104.80 1wpb n GLY 45 Ca 0.06 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1wpb n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wpb s TYR 46 N -3.29 1.85 0.26 1.61 2.02 -0.71 -4.86 117.35 114.23 1wpb s TYR 46 Ca 0.11 0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 57.37 1wpb s TYR 46 Cb -0.05 -4.22 0.29 0.00 -0.40 0.00 0.00 41.96 37.59 1wpb s TYR 46 CO 0.61 -2.28 1.93 0.78 -1.57 0.00 0.00 175.55 175.03 1wpb h GLY 47 N 15.23 1.38 0.89 0.71 0.00 -1.90 -0.94 103.07 118.45 1wpb h GLY 47 Ca -0.27 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1wpb h GLY 47 CO 1.21 0.50 -0.07 -2.00 0.00 0.00 0.00 176.54 176.18 1wpb h LEU 48 N 1.33 -0.15 -1.60 3.11 5.85 -2.00 -0.67 115.31 121.17 1wpb h LEU 48 Ca 0.36 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1wpb h LEU 48 Cb -0.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1wpb h LEU 48 CO -0.08 -0.00 0.23 1.56 -0.34 0.00 0.00 178.44 179.81 1wpb h GLN 49 N -0.30 0.50 -0.44 1.25 7.50 -1.89 -1.54 115.11 120.19 1wpb h GLN 49 Ca -0.02 -0.03 -0.13 0.00 0.50 0.00 0.00 58.65 58.97 1wpb h GLN 49 Cb 0.24 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1wpb h GLN 49 CO 0.03 0.34 -0.23 0.52 -1.50 0.00 0.00 178.83 178.00 1wpb h MET 50 N 0.51 0.91 -0.78 1.46 2.86 -0.91 -1.36 114.93 117.63 1wpb h MET 50 Ca 0.14 -0.38 0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1wpb h MET 50 Cb -0.03 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 1wpb h MET 50 CO -0.03 1.04 0.47 -0.09 1.06 0.00 0.00 176.91 179.36 1wpb h ARG 51 N 0.78 0.83 -0.71 1.72 2.43 -0.45 -2.06 114.38 116.93 1wpb h ARG 51 Ca 0.10 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1wpb h ARG 51 Cb 0.78 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1wpb h ARG 51 CO 0.06 0.55 0.43 0.93 -1.51 0.00 0.00 179.97 180.44 1wpb h GLU 52 N 0.86 0.95 -0.45 0.20 5.08 -0.81 -1.80 114.58 118.60 1wpb h GLU 52 Ca 0.34 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1wpb h GLU 52 Cb 0.17 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1wpb h GLU 52 CO -0.17 0.66 0.23 -0.07 -1.00 0.00 0.00 179.01 178.66 1wpb h LEU 53 N 0.97 0.34 -0.98 1.33 3.38 -0.63 -2.69 115.31 117.03 1wpb h LEU 53 Ca 0.26 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.40 1wpb h LEU 53 Cb -0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1wpb h LEU 53 CO -0.05 0.24 0.59 0.44 0.09 0.00 0.00 178.44 179.75 1wpb h ASP 54 N 0.46 0.80 0.76 -0.43 3.32 -0.68 -0.46 116.42 120.18 1wpb h ASP 54 Ca 0.19 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1wpb h ASP 54 Cb 0.09 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1wpb h ASP 54 CO -0.13 0.35 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 1wpb n ARG 55 N -4.73 0.16 0.06 3.56 5.12 -0.99 -1.56 116.66 118.29 1wpb n ARG 55 Ca 0.21 0.36 0.11 0.00 -1.93 0.00 0.00 57.85 56.60 1wpb n ARG 55 Cb 0.47 -1.78 0.45 0.00 -1.16 0.00 0.00 32.46 30.44 1wpb n ARG 55 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wpb n GLU 56 N -2.07 0.12 -4.11 5.56 1.02 -0.18 -4.75 120.64 116.23 1wpb n GLU 56 Ca 0.03 0.24 -0.35 0.00 -0.02 0.00 0.00 57.16 57.07 1wpb n GLU 56 Cb 0.24 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 1wpb n GLU 56 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1wpb s PHE 57 N -3.12 2.98 0.46 -0.32 0.08 -0.60 -5.11 117.98 112.35 1wpb s PHE 57 Ca 0.08 -0.65 0.05 0.00 0.12 0.00 0.00 56.93 56.53 1wpb s PHE 57 Cb 0.12 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1wpb s PHE 57 CO 0.43 -0.34 0.43 0.41 -0.10 0.00 0.00 175.22 176.05 1wpb n GLY 58 N 4.34 2.56 2.95 4.36 0.00 -1.26 -5.02 105.19 113.12 1wpb n GLY 58 Ca -0.18 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.46 1wpb n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wpb s GLU 59 N -3.96 0.09 -0.18 1.61 2.12 -1.26 -5.04 118.70 112.09 1wpb s GLU 59 Ca 0.33 0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1wpb s GLU 59 Cb -0.03 0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.47 1wpb s GLU 59 CO 0.21 -0.01 0.07 -1.17 -0.54 0.00 0.00 175.26 173.81 1wpb s LEU 60 N 0.05 0.69 0.59 2.70 2.96 -1.26 -5.12 118.68 119.29 1wpb s LEU 60 Ca -0.00 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.01 1wpb s LEU 60 Cb -0.01 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1wpb s LEU 60 CO 0.00 -0.33 1.16 0.29 -1.32 0.00 0.00 176.35 176.15 1wpb n LYS 61 N 5.18 1.19 -0.22 1.98 5.02 -1.26 -4.72 118.16 125.33 1wpb n LYS 61 Ca -0.08 0.45 0.03 0.00 -2.02 0.00 0.00 58.31 56.69 1wpb n LYS 61 Cb 0.48 -2.37 0.13 0.00 -0.02 0.00 0.00 35.03 33.26 1wpb n LYS 61 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1wpb h GLU 62 N 0.80 0.20 -0.33 1.97 4.81 -2.00 -1.27 114.58 118.76 1wpb h GLU 62 Ca -0.50 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1wpb h GLU 62 Cb 1.34 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1wpb h GLU 62 CO 0.53 0.14 -0.12 0.93 -0.73 0.00 0.00 179.01 179.76 1wpb h GLU 63 N 0.21 0.57 -0.45 1.92 4.39 -1.99 -1.15 114.58 118.08 1wpb h GLU 63 Ca 0.36 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1wpb h GLU 63 Cb 0.58 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1wpb h GLU 63 CO -0.49 0.68 0.14 1.15 -1.16 0.00 0.00 179.01 179.33 1wpb h THR 64 N 0.52 1.22 -0.51 1.13 2.02 -1.62 -0.50 112.91 115.18 1wpb h THR 64 Ca 0.09 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.60 1wpb h THR 64 Cb 0.52 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1wpb h THR 64 CO 0.03 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.38 1wpb h ARG 66 N 0.38 1.07 -0.89 0.00 3.08 -1.01 -2.26 114.38 114.76 1wpb h ARG 66 Ca 0.24 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1wpb h ARG 66 Cb 0.25 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1wpb h ARG 66 CO -0.24 0.97 0.56 1.15 -1.07 0.00 0.00 179.97 181.34 1wpb h THR 67 N 1.00 1.09 -0.23 2.04 2.02 -0.76 0.06 112.91 118.13 1wpb h THR 67 Ca 0.21 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1wpb h THR 67 Cb 0.39 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1wpb h THR 67 CO 0.01 0.19 0.09 0.40 0.37 0.00 0.00 175.52 176.58 1wpb h ILE 68 N 1.06 1.16 -0.70 3.11 2.04 -0.98 -0.69 117.51 122.51 1wpb h ILE 68 Ca 0.37 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1wpb h ILE 68 Cb 0.10 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1wpb h ILE 68 CO -0.15 0.16 0.46 0.40 0.00 0.00 0.00 178.15 179.02 1wpb h ILE 69 N 0.22 1.15 -0.88 -0.67 2.04 -1.19 -2.35 117.51 115.84 1wpb h ILE 69 Ca 0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1wpb h ILE 69 Cb 0.17 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1wpb h ILE 69 CO -0.01 0.17 0.55 -0.78 0.00 0.00 0.00 178.15 178.08 1wpb h ASP 70 N 0.92 1.04 -0.51 1.72 3.58 -0.60 0.21 116.42 122.77 1wpb h ASP 70 Ca 0.26 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 1wpb h ASP 70 Cb -0.07 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 1wpb h ASP 70 CO -0.07 0.78 0.18 0.40 -2.88 0.00 0.00 179.24 177.64 1wpb h ILE 71 N 1.21 1.23 -0.48 2.25 2.04 -0.67 0.33 117.51 123.41 1wpb h ILE 71 Ca 0.32 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1wpb h ILE 71 Cb -0.09 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1wpb h ILE 71 CO -0.06 0.27 0.28 0.24 0.00 0.00 0.00 178.15 178.88 1wpb h MET 72 N 0.70 0.66 -0.90 2.37 2.86 -0.91 -1.25 114.93 118.46 1wpb h MET 72 Ca 0.17 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1wpb h MET 72 Cb 0.25 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1wpb h MET 72 CO -0.01 0.50 0.58 1.49 1.06 0.00 0.00 176.91 180.53 1wpb h GLU 73 N 0.64 1.19 -0.46 1.72 4.57 -0.27 -1.09 114.58 120.88 1wpb h GLU 73 Ca 0.17 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1wpb h GLU 73 Cb 0.01 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.29 1wpb h GLU 73 CO -0.03 0.80 0.17 1.98 -1.18 0.00 0.00 179.01 180.75 1wpb h MET 74 N 1.22 0.34 0.00 1.92 4.05 0.05 -0.19 114.93 122.33 1wpb h MET 74 Ca 0.33 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.65 1wpb h MET 74 Cb -0.12 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1wpb h MET 74 CO -0.07 0.22 -0.35 1.88 0.23 0.00 0.00 176.91 178.83 1wpb h TYR 75 N 0.35 0.00 -0.06 1.39 0.05 -0.80 0.58 116.97 118.48 1wpb h TYR 75 Ca 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 1wpb h TYR 75 Cb 0.21 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1wpb h TYR 75 CO -0.15 0.35 0.02 1.25 -1.05 0.00 0.00 178.16 178.58 1wpb h HIS 76 N 0.00 0.09 -0.61 4.88 2.76 -0.42 0.55 115.15 122.40 1wpb h HIS 76 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1wpb h HIS 76 Cb 0.69 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 1wpb h HIS 76 CO 0.00 0.23 0.26 0.00 -1.30 0.00 0.00 177.93 177.11 1wpb h ALA 77 N 0.86 0.79 -0.11 5.26 0.00 -0.52 -0.62 119.26 124.91 1wpb h ALA 77 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1wpb h ALA 77 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wpb h ALA 77 CO -0.00 0.39 0.05 -0.07 0.00 0.00 0.00 179.25 179.61 1wpb h LEU 78 N 0.84 0.16 -0.23 0.00 3.38 -0.88 -1.03 115.31 117.55 1wpb h LEU 78 Ca 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wpb h LEU 78 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wpb h LEU 78 CO -0.02 0.28 -0.08 -0.74 0.09 0.00 0.00 178.44 177.98 1wpb h HIS 79 N 0.03 0.52 -0.86 1.13 2.76 -0.80 -1.10 115.15 116.82 1wpb h HIS 79 Ca 0.04 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 1wpb h HIS 79 Cb 0.17 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 1wpb h HIS 79 CO -0.02 0.70 0.47 0.28 -1.30 0.00 0.00 177.93 178.07 1wpb h VAL 80 N 0.18 1.25 0.02 5.26 2.07 -1.15 -0.73 116.25 123.15 1wpb h VAL 80 Ca 0.06 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1wpb h VAL 80 Cb 0.55 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1wpb h VAL 80 CO 0.03 0.28 -0.01 0.28 0.02 0.00 0.00 177.57 178.17 1wpb h SER 81 N 1.20 -0.02 -0.95 0.57 0.02 -1.13 -2.96 113.55 110.28 1wpb h SER 81 Ca 0.30 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1wpb h SER 81 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1wpb h SER 81 CO -0.05 0.17 0.62 -0.25 -1.14 0.00 0.00 176.83 176.18 1wpb h TRP 82 N -0.20 1.16 -0.18 3.45 7.01 -0.94 -1.86 115.95 124.38 1wpb h TRP 82 Ca -0.00 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.94 1wpb h TRP 82 Cb 0.20 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1wpb h TRP 82 CO -0.01 0.67 -0.25 0.66 -2.79 0.00 0.00 178.44 176.71 1wpb h SER 83 N 1.20 0.34 -0.28 2.65 4.64 -1.08 -2.78 113.55 118.24 1wpb h SER 83 Ca 0.38 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1wpb h SER 83 Cb 0.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1wpb h SER 83 CO -0.12 0.60 0.00 0.59 -0.87 0.00 0.00 176.83 177.03 1wpb n ASN 84 N -4.14 1.55 -4.67 4.97 3.02 -0.71 -4.84 115.26 110.44 1wpb n ASN 84 Ca -0.01 -2.02 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 1wpb n ASN 84 Cb 0.38 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 1wpb n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wpb s LEU 85 N -1.00 4.18 -0.01 3.41 1.43 -1.05 -4.93 118.68 120.71 1wpb s LEU 85 Ca 0.19 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 1wpb s LEU 85 Cb 0.10 -3.19 -0.12 0.00 0.03 0.00 0.00 46.19 43.01 1wpb s LEU 85 CO 0.12 -0.37 0.90 1.56 0.23 0.00 0.00 176.35 178.79 1wpb h GLN 86 N 7.33 -0.75 0.00 1.70 7.50 -1.90 -3.27 115.11 125.73 1wpb h GLN 86 Ca -0.30 0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.90 1wpb h GLN 86 Cb 1.13 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.83 1wpb h GLN 86 CO 0.83 -0.49 0.00 -3.47 -1.50 0.00 0.00 178.83 174.19 1wpb n ASP 87 N -5.29 0.00 0.00 1.46 -0.08 -1.26 -4.72 116.55 106.66 1wpb n ASP 87 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1wpb n ASP 87 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 1wpb n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wpb n GLN 88 N -0.29 0.00 0.00 -0.67 6.02 -1.24 -4.84 117.38 116.37 1wpb n GLN 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wpb n GLN 88 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1wpb n GLN 88 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1wpb n GLN 89 N 0.00 0.00 -2.56 -1.09 6.02 -1.26 -2.20 117.38 116.29 1wpb n GLN 89 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1wpb n GLN 89 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1wpb n GLN 89 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1wpb n SER 90 N -3.65 5.12 -4.58 1.08 7.64 -1.26 -4.99 113.62 112.99 1wpb n SER 90 Ca 0.00 -3.72 -0.40 0.00 1.01 0.00 0.00 58.87 55.76 1wpb n SER 90 Cb 0.00 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 1wpb n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wpb s ILE 91 N -5.11 3.00 0.07 0.44 1.01 -0.93 -4.99 121.20 114.68 1wpb s ILE 91 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 1wpb s ILE 91 Cb 0.36 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 39.75 1wpb s ILE 91 CO -0.20 -0.01 1.43 -0.62 0.00 0.00 0.00 174.94 175.54 1wpb s ASP 92 N 10.11 6.81 0.43 3.58 3.68 -1.26 -4.89 116.67 135.12 1wpb s ASP 92 Ca 0.99 2.27 0.14 0.00 2.13 0.00 0.00 52.55 58.09 1wpb s ASP 92 Cb -0.26 -2.57 1.01 0.00 -1.45 0.00 0.00 42.92 39.65 1wpb s ASP 92 CO 0.31 -0.70 1.96 -0.08 0.13 0.00 0.00 175.17 176.78 1wpb h GLU 93 N 7.34 0.43 0.00 4.34 4.81 -1.97 -0.04 114.58 129.49 1wpb h GLU 93 Ca -0.41 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1wpb h GLU 93 Cb 1.20 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1wpb h GLU 93 CO 0.89 0.28 -0.06 0.07 -0.73 0.00 0.00 179.01 179.46 1wpb h ARG 94 N 0.44 0.00 0.00 1.92 -0.00 -1.94 -1.09 114.38 113.71 1wpb h ARG 94 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 1wpb h ARG 94 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1wpb h ARG 94 CO -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 179.97 179.94 1wpb h ARG 95 N 0.00 0.00 -0.70 0.08 3.08 -1.38 -2.57 114.38 112.89 1wpb h ARG 95 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1wpb h ARG 95 Cb 0.21 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.03 1wpb h ARG 95 CO 0.01 0.00 0.27 1.33 -1.07 0.00 0.00 179.97 180.51 1wpb n VAL 96 N -2.67 2.93 -4.76 2.04 0.24 -0.43 -4.92 118.33 110.76 1wpb n VAL 96 Ca 0.05 -2.53 -0.32 0.00 -2.04 0.00 0.00 64.34 59.49 1wpb n VAL 96 Cb 0.46 -0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 32.16 1wpb n VAL 96 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wpb s THR 97 N -3.51 2.08 -0.16 3.34 2.01 -0.97 -4.21 115.64 114.22 1wpb s THR 97 Ca 0.52 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1wpb s THR 97 Cb 0.45 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1wpb s THR 97 CO 0.04 0.55 1.96 0.12 -0.69 0.00 0.00 174.62 176.60 1wpb s PHE 98 N 0.74 1.49 -0.67 4.92 5.36 -1.26 -4.86 117.98 123.69 1wpb s PHE 98 Ca -0.09 0.28 0.23 0.00 -0.96 0.00 0.00 56.93 56.40 1wpb s PHE 98 Cb -0.16 -4.04 0.16 0.00 -0.34 0.00 0.00 43.02 38.64 1wpb s PHE 98 CO -0.00 -4.09 1.13 1.28 -1.46 0.00 0.00 175.22 172.09 1wpb n LEU 99 N 9.64 0.63 0.00 6.12 4.77 -1.26 -4.89 117.00 132.02 1wpb n LEU 99 Ca 0.24 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1wpb n LEU 99 Cb 0.44 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1wpb n LEU 99 CO 0.66 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1wpb n GLY 100 N 1.38 -0.07 3.38 -0.72 0.00 -1.26 -3.45 105.19 104.45 1wpb n GLY 100 Ca 0.03 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 1wpb n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpb s PHE 101 N 0.00 1.76 -0.39 1.61 0.08 -0.45 -4.63 117.98 115.96 1wpb s PHE 101 Ca 0.00 -0.88 -0.26 0.00 0.12 0.00 0.00 56.93 55.91 1wpb s PHE 101 Cb 0.00 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1wpb s PHE 101 CO 0.00 0.04 0.93 0.34 -0.10 0.00 0.00 175.22 176.43 1wpb s ASP 102 N -3.38 6.64 0.40 1.36 2.15 -1.25 0.19 116.67 122.77 1wpb s ASP 102 Ca 0.31 0.49 0.18 0.00 0.43 0.00 0.00 52.55 53.96 1wpb s ASP 102 Cb 0.06 -2.46 1.10 0.00 -0.30 0.00 0.00 42.92 41.32 1wpb s ASP 102 CO 0.11 -0.90 1.78 0.00 -0.17 0.00 0.00 175.17 175.99 1wpb h ALA 103 N 8.61 2.23 0.05 3.66 0.00 -1.90 0.59 119.26 132.51 1wpb h ALA 103 Ca -0.23 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 1wpb h ALA 103 Cb 1.08 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1wpb h ALA 103 CO 0.99 -0.63 -0.95 0.00 0.00 0.00 0.00 179.25 178.66 1wpb h ALA 104 N 1.62 0.05 -0.00 0.00 0.00 -1.96 -3.35 119.26 115.61 1wpb h ALA 104 Ca 0.59 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wpb h ALA 104 Cb 1.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1wpb h ALA 104 CO -0.29 0.56 -0.05 0.25 0.00 0.00 0.00 179.25 179.72 1wpb n THR 105 N -3.97 0.00 -2.23 0.00 -2.24 -1.15 -4.71 114.28 99.98 1wpb n THR 105 Ca -0.12 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 1wpb n THR 105 Cb 0.85 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 70.13 1wpb n THR 105 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wpb n GLU 106 N -0.58 2.95 -0.18 -0.78 1.02 0.21 -4.90 120.64 118.37 1wpb n GLU 106 Ca 0.01 -3.91 -0.04 0.00 -0.02 0.00 0.00 57.16 53.19 1wpb n GLU 106 Cb 0.04 -2.03 0.13 0.00 -0.02 0.00 0.00 31.44 29.57 1wpb n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpb h ALA 107 N 2.22 1.11 -0.73 0.62 0.00 -1.69 -0.37 119.26 120.43 1wpb h ALA 107 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wpb h ALA 107 Cb 1.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1wpb h ALA 107 CO 0.56 0.60 0.38 0.00 0.00 0.00 0.00 179.25 180.79 1wpb h ARG 108 N 0.92 1.02 -0.10 0.00 3.08 -1.92 -1.72 114.38 115.66 1wpb h ARG 108 Ca 0.20 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1wpb h ARG 108 Cb 0.32 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1wpb h ARG 108 CO -0.00 0.76 -0.44 1.88 -1.07 0.00 0.00 179.97 181.10 1wpb h TYR 109 N 1.02 0.63 -0.72 3.04 0.05 -1.51 -2.51 116.97 116.97 1wpb h TYR 109 Ca 0.26 -0.27 0.06 0.00 0.05 0.00 0.00 58.73 58.83 1wpb h TYR 109 Cb 0.05 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.63 1wpb h TYR 109 CO 0.01 1.04 0.41 1.25 -1.05 0.00 0.00 178.16 179.81 1wpb h LEU 110 N 0.04 0.61 -1.15 3.88 5.85 -1.18 -2.02 115.31 121.34 1wpb h LEU 110 Ca -0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1wpb h LEU 110 Cb 1.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1wpb h LEU 110 CO 0.09 0.39 0.12 1.23 -0.34 0.00 0.00 178.44 179.94 1wpb h GLY 111 N 0.75 0.77 1.21 3.75 0.00 -1.24 -2.37 103.07 105.94 1wpb h GLY 111 Ca 0.32 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1wpb h GLY 111 CO -0.19 0.40 -0.51 -1.82 0.00 0.00 0.00 176.54 174.42 1wpb h TYR 112 N 0.70 1.04 -0.25 5.60 3.20 -1.03 -0.66 116.97 125.57 1wpb h TYR 112 Ca 0.16 -0.36 0.04 0.00 3.14 0.00 0.00 58.73 61.71 1wpb h TYR 112 Cb 0.25 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1wpb h TYR 112 CO 0.01 1.17 0.02 0.28 -1.64 0.00 0.00 178.16 178.00 1wpb h VAL 113 N 0.65 0.84 -0.98 1.81 2.07 -1.21 0.89 116.25 120.33 1wpb h VAL 113 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1wpb h VAL 113 Cb 1.11 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1wpb h VAL 113 CO 0.11 0.02 0.63 0.03 0.02 0.00 0.00 177.57 178.38 1wpb h ARG 114 N 0.10 1.30 -0.29 1.57 3.08 -1.35 -0.94 114.38 117.85 1wpb h ARG 114 Ca 0.12 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wpb h ARG 114 Cb 0.14 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1wpb h ARG 114 CO -0.19 0.88 0.17 0.35 -1.07 0.00 0.00 179.97 180.11 1wpb h PHE 115 N 1.33 0.38 -0.55 3.04 3.57 -0.78 0.28 116.94 124.22 1wpb h PHE 115 Ca 0.35 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 1wpb h PHE 115 Cb -0.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1wpb h PHE 115 CO 0.00 0.30 0.09 0.52 -2.23 0.00 0.00 178.31 176.99 1wpb h MET 116 N 0.36 0.87 0.00 1.11 2.86 -0.42 0.49 114.93 120.20 1wpb h MET 116 Ca 0.10 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1wpb h MET 116 Cb 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1wpb h MET 116 CO -0.02 0.82 -0.12 0.28 1.06 0.00 0.00 176.91 178.93 1wpb h VAL 117 N 0.83 1.20 0.11 -2.22 2.07 -1.14 -0.45 116.25 116.65 1wpb h VAL 117 Ca 0.17 -1.94 -0.27 0.00 0.82 0.00 0.00 66.70 65.48 1wpb h VAL 117 Cb 0.37 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1wpb h VAL 117 CO 0.01 0.41 -1.28 0.78 0.02 0.00 0.00 177.57 177.51 1wpb h ASN 118 N -1.00 0.37 0.00 0.57 2.35 -0.46 -2.45 115.58 114.95 1wpb h ASN 118 Ca -0.03 -0.41 -0.21 0.00 -0.55 0.00 0.00 56.30 55.10 1wpb h ASN 118 Cb 0.75 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1wpb h ASN 118 CO -0.02 1.33 -1.53 0.52 -1.65 0.00 0.00 177.43 176.08 1wpb n VAL 119 N -3.49 1.50 0.17 2.81 0.31 0.06 -4.58 118.33 115.11 1wpb n VAL 119 Ca -0.09 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1wpb n VAL 119 Cb 1.02 -2.14 0.22 0.00 -0.91 0.00 0.00 33.84 32.03 1wpb n VAL 119 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wpb h GLU 120 N -1.00 0.00 0.00 5.55 4.39 -1.23 -3.48 114.58 118.82 1wpb h GLU 120 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1wpb h GLU 120 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1wpb h GLU 120 CO -0.19 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 1wpb n GLY 121 N 0.58 0.51 3.91 -3.84 0.00 -0.66 -4.98 105.19 100.70 1wpb n GLY 121 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1wpb n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wpb s ARG 122 N -2.90 3.55 -1.50 1.61 3.52 -0.27 -4.34 118.95 118.61 1wpb s ARG 122 Ca 0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.35 1wpb s ARG 122 Cb 0.00 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1wpb s ARG 122 CO 0.00 0.51 0.31 0.66 -0.81 0.00 0.00 175.30 175.97 1wpb n TYR 123 N 0.12 -1.57 0.30 5.12 4.01 -1.26 -3.94 117.16 119.94 1wpb n TYR 123 Ca -0.03 0.27 0.19 0.00 -0.16 0.00 0.00 57.90 58.17 1wpb n TYR 123 Cb 0.52 -3.84 0.90 0.00 -0.31 0.00 0.00 39.34 36.61 1wpb n TYR 123 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1wpb h THR 124 N -0.69 0.10 -0.00 -0.72 1.35 -1.88 -2.24 112.91 108.82 1wpb h THR 124 Ca -0.47 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1wpb h THR 124 Cb 1.33 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1wpb h THR 124 CO 0.53 0.02 -0.08 1.41 -0.25 0.00 0.00 175.52 177.15 1wpb n HIS 125 N -3.18 0.00 -1.98 4.73 8.25 -1.26 -4.87 115.22 116.90 1wpb n HIS 125 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1wpb n HIS 125 Cb 0.20 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1wpb n HIS 125 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1wpb s PHE 126 N -2.50 2.90 -0.25 4.41 0.40 -0.84 -4.99 117.98 117.10 1wpb s PHE 126 Ca 0.29 1.19 -0.29 0.00 -0.60 0.00 0.00 56.93 57.52 1wpb s PHE 126 Cb 0.20 -3.84 -0.00 0.00 0.51 0.00 0.00 43.02 39.89 1wpb s PHE 126 CO 0.47 -2.51 1.27 0.34 0.70 0.00 0.00 175.22 175.49 1wpb s ASP 127 N -0.07 6.79 0.00 1.36 -1.08 -1.26 -4.92 116.67 117.49 1wpb s ASP 127 Ca 0.54 1.37 0.23 0.00 -0.52 0.00 0.00 52.55 54.17 1wpb s ASP 127 Cb -0.43 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 39.76 1wpb s ASP 127 CO 0.52 -0.95 1.83 0.00 0.52 0.00 0.00 175.17 177.09 1wpb n ALA 128 N 7.20 2.62 -0.80 3.66 0.00 -1.26 -4.85 120.51 127.07 1wpb n ALA 128 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wpb n ALA 128 Cb 0.46 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1wpb n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpb n GLY 129 N 0.93 0.55 0.02 0.00 0.00 -1.26 0.13 105.19 105.56 1wpb n GLY 129 Ca 0.17 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.45 1wpb n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpb n THR 130 N 0.00 0.09 -2.12 2.61 -2.24 -1.26 -4.24 114.28 107.12 1wpb n THR 130 Ca 0.00 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1wpb n THR 130 Cb 0.00 0.40 0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1wpb n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wpb n HIS 131 N -1.83 0.65 -3.69 4.78 8.25 -1.26 -5.01 115.22 117.11 1wpb n HIS 131 Ca 0.02 -1.40 -0.22 0.00 -0.26 0.00 0.00 57.72 55.86 1wpb n HIS 131 Cb 0.41 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.32 1wpb n HIS 131 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wpb n GLY 132 N -0.48 -0.36 2.20 -1.41 0.00 -1.04 -1.99 105.19 102.12 1wpb n GLY 132 Ca 0.18 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 1wpb n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpb n PHE 133 N -4.23 0.00 -2.85 1.61 3.72 0.12 -4.91 117.46 110.92 1wpb n PHE 133 Ca -0.28 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 1wpb n PHE 133 Cb 0.67 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1wpb n PHE 133 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wpb s ASN 134 N -2.66 6.32 0.28 4.37 2.47 -0.84 -1.34 114.94 123.54 1wpb s ASN 134 Ca 0.00 -1.30 0.23 0.00 0.42 0.00 0.00 52.86 52.20 1wpb s ASN 134 Cb 0.00 -2.43 1.04 0.00 -1.45 0.00 0.00 41.25 38.41 1wpb s ASN 134 CO 0.00 -1.35 1.68 0.00 -3.72 0.00 0.00 177.10 173.71 1wpb n ALA 135 N 7.51 1.43 -1.00 1.71 0.00 0.13 -4.76 120.51 125.53 1wpb n ALA 135 Ca 0.07 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 1wpb n ALA 135 Cb 0.47 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 1wpb n ALA 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wpb n GLN 136 N -2.23 -1.92 -3.77 0.00 6.02 -1.25 -4.90 117.38 109.32 1wpb n GLN 136 Ca 0.01 0.48 -0.13 0.00 -0.01 0.00 0.00 57.00 57.35 1wpb n GLN 136 Cb 0.16 -4.92 -0.10 0.00 1.02 0.00 0.00 30.24 26.39 1wpb n GLN 136 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wpb s THR 137 N -1.04 0.03 0.30 5.09 -1.32 -1.26 -4.99 115.64 112.45 1wpb s THR 137 Ca 0.00 -0.24 -0.29 0.00 -1.21 0.00 0.00 61.69 59.95 1wpb s THR 137 Cb 0.00 -0.51 -0.10 0.00 -1.51 0.00 0.00 72.50 70.38 1wpb s THR 137 CO 0.00 -0.13 1.44 -2.84 -2.21 0.00 0.00 174.62 170.87 1wpb s PRO 138 N -0.54 4.24 0.00 7.08 0.02 -1.26 -3.84 135.00 140.70 1wpb s PRO 138 Ca -0.06 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1wpb s PRO 138 Cb -0.04 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1wpb s PRO 138 CO 0.02 -0.41 0.00 -1.33 -0.33 0.00 0.00 177.00 174.95 1wpb n MET 139 N 1.55 3.38 -0.21 5.54 2.81 -1.26 -4.86 117.12 124.05 1wpb n MET 139 Ca 0.04 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 1wpb n MET 139 Cb 0.40 -0.64 -0.05 0.00 -0.71 0.00 0.00 33.22 32.22 1wpb n MET 139 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1wpb h TRP 140 N 0.00 -1.40 -0.39 2.03 2.91 -1.91 0.37 115.95 117.56 1wpb h TRP 140 Ca 0.00 0.09 0.04 0.00 1.13 0.00 0.00 58.89 60.14 1wpb h TRP 140 Cb 0.00 0.69 -0.04 0.00 -0.51 0.00 0.00 29.16 29.31 1wpb h TRP 140 CO 0.00 -0.43 0.17 0.93 -1.03 0.00 0.00 178.44 178.08 1wpb h GLU 141 N -0.24 0.34 -0.13 2.65 5.08 -2.00 -1.12 114.58 119.17 1wpb h GLU 141 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1wpb h GLU 141 Cb 0.56 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wpb h GLU 141 CO -0.70 0.22 0.01 -0.22 -1.00 0.00 0.00 179.01 177.32 1wpb h LYS 142 N 0.35 0.06 -0.38 2.33 1.63 -1.75 -2.45 116.57 116.36 1wpb h LYS 142 Ca 0.17 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 1wpb h LYS 142 Cb 0.11 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1wpb h LYS 142 CO -0.15 0.04 0.25 1.88 -3.45 0.00 0.00 179.45 178.02 1wpb h TYR 143 N 0.06 0.34 -0.71 1.91 0.05 -0.31 -0.62 116.97 117.69 1wpb h TYR 143 Ca 0.06 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1wpb h TYR 143 Cb 0.06 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1wpb h TYR 143 CO -0.13 0.20 0.26 1.96 -1.05 0.00 0.00 178.16 179.40 1wpb h GLN 144 N 0.35 1.06 -0.35 4.88 1.08 -0.77 -0.90 115.11 120.45 1wpb h GLN 144 Ca 0.16 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1wpb h GLN 144 Cb 0.19 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1wpb h GLN 144 CO -0.04 0.87 -0.12 0.00 -0.95 0.00 0.00 178.83 178.60 1wpb h ARG 145 N 1.03 0.70 -0.37 1.46 3.08 -0.76 -2.46 114.38 117.06 1wpb h ARG 145 Ca 0.24 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1wpb h ARG 145 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1wpb h ARG 145 CO -0.02 0.87 0.20 0.52 -1.07 0.00 0.00 179.97 180.48 1wpb h MET 146 N 0.48 0.52 -0.88 0.04 2.86 -1.01 -2.80 114.93 114.14 1wpb h MET 146 Ca 0.08 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1wpb h MET 146 Cb 0.64 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 1wpb h MET 146 CO 0.04 0.43 0.55 -0.07 1.06 0.00 0.00 176.91 178.92 1wpb h LEU 147 N 0.47 0.86 -0.46 1.22 3.38 -1.14 -0.52 115.31 119.12 1wpb h LEU 147 Ca 0.13 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1wpb h LEU 147 Cb 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1wpb h LEU 147 CO -0.02 0.54 0.23 -1.13 0.09 0.00 0.00 178.44 178.15 1wpb h ASN 148 N 0.99 0.32 -0.18 -0.43 -0.00 -1.18 -1.11 115.58 113.98 1wpb h ASN 148 Ca 0.39 0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.68 1wpb h ASN 148 Cb 0.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 1wpb h ASN 148 CO -0.18 0.23 -0.03 0.58 -0.00 0.00 0.00 177.43 178.02 1wpb h VAL 149 N 0.45 1.28 -0.06 2.57 2.07 -1.28 -3.02 116.25 118.25 1wpb h VAL 149 Ca 0.20 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1wpb h VAL 149 Cb 0.12 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1wpb h VAL 149 CO -0.15 0.29 -0.07 -0.25 0.02 0.00 0.00 177.57 177.41 1wpb h TRP 150 N 0.07 -0.17 0.00 1.57 7.01 -0.88 -1.68 115.95 121.87 1wpb h TRP 150 Ca 0.05 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1wpb h TRP 150 Cb 0.46 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1wpb h TRP 150 CO 0.05 -0.11 0.00 0.45 -2.79 0.00 0.00 178.44 176.04 1wpb h HIS 151 N -0.09 0.00 0.00 2.65 3.86 -1.30 -1.22 115.15 119.04 1wpb h HIS 151 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1wpb h HIS 151 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1wpb h HIS 151 CO -0.17 0.00 -0.29 0.00 0.86 0.00 0.00 177.93 178.33 1wpb n ALA 152 N -1.87 2.99 -2.24 2.45 0.00 -0.66 -4.85 120.51 116.34 1wpb n ALA 152 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1wpb n ALA 152 Cb 0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1wpb n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpb n PRO 154 N 3.29 0.92 -3.73 0.00 -0.05 -1.26 -4.12 135.00 130.04 1wpb n PRO 154 Ca 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.40 1wpb n PRO 154 Cb 0.45 -1.26 -0.13 0.00 -0.05 0.00 0.00 33.50 32.51 1wpb n PRO 154 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 1wpb s ARG 155 N -2.00 0.22 0.00 0.54 3.52 -1.26 -5.08 118.95 114.88 1wpb s ARG 155 Ca 0.23 0.52 0.24 0.00 -0.13 0.00 0.00 55.73 56.60 1wpb s ARG 155 Cb 0.11 -0.10 0.32 0.00 -1.56 0.00 0.00 34.95 33.71 1wpb s ARG 155 CO 0.18 -0.15 1.28 1.04 -0.81 0.00 0.00 175.30 176.84 1wpb n GLN 156 N 4.14 0.47 -4.35 5.12 6.02 -1.26 -4.88 117.38 122.64 1wpb n GLN 156 Ca -0.24 -0.33 -0.20 0.00 -0.01 0.00 0.00 57.00 56.21 1wpb n GLN 156 Cb 0.53 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 30.20 1wpb n GLN 156 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wpb s TYR 157 N -2.76 1.81 -1.07 1.08 1.51 -1.26 -4.74 117.35 111.91 1wpb s TYR 157 Ca 0.16 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1wpb s TYR 157 Cb 0.18 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1wpb s TYR 157 CO 0.66 0.38 0.83 0.72 -1.11 0.00 0.00 175.55 177.03 1wpb n HIS 158 N -0.11 -2.18 -2.94 2.71 8.25 -1.26 -4.96 115.22 114.73 1wpb n HIS 158 Ca -0.10 0.65 -0.33 0.00 -0.26 0.00 0.00 57.72 57.68 1wpb n HIS 158 Cb 0.59 -3.70 -0.06 0.00 1.12 0.00 0.00 29.99 27.94 1wpb n HIS 158 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wpb s LEU 159 N -5.89 3.98 0.81 2.41 1.43 -1.26 -5.06 118.68 115.10 1wpb s LEU 159 Ca 0.43 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 1wpb s LEU 159 Cb -0.12 -4.32 0.08 0.00 0.03 0.00 0.00 46.19 41.86 1wpb s LEU 159 CO 0.81 -0.30 1.09 -0.94 0.23 0.00 0.00 176.35 177.24 1wpb s SER 160 N -2.29 4.29 0.36 2.29 1.04 -1.26 -4.75 113.70 113.38 1wpb s SER 160 Ca 0.58 1.41 0.14 0.00 0.48 0.00 0.00 55.95 58.56 1wpb s SER 160 Cb -0.10 -2.14 0.68 0.00 0.10 0.00 0.00 66.02 64.57 1wpb s SER 160 CO 0.16 -2.11 1.78 0.00 0.98 0.00 0.00 173.24 174.05 1wpb h ALA 161 N -1.19 1.22 0.43 5.32 0.00 -1.98 0.13 119.26 123.20 1wpb h ALA 161 Ca -0.47 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1wpb h ALA 161 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1wpb h ALA 161 CO 0.57 0.51 -0.30 -0.91 0.00 0.00 0.00 179.25 179.13 1wpb h ASN 162 N 0.00 -0.76 -0.02 0.00 2.35 -1.99 0.73 115.58 115.89 1wpb h ASN 162 Ca -0.00 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1wpb h ASN 162 Cb 0.77 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1wpb h ASN 162 CO 0.05 -0.46 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.00 1wpb h GLU 163 N -0.71 -0.07 -0.71 0.81 5.08 -1.79 -1.16 114.58 116.03 1wpb h GLU 163 Ca -0.04 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1wpb h GLU 163 Cb 0.60 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 1wpb h GLU 163 CO 0.02 -0.04 0.06 0.82 -1.00 0.00 0.00 179.01 178.87 1wpb h ILE 164 N -0.07 0.43 -0.35 3.13 2.04 -0.75 -0.98 117.51 120.96 1wpb h ILE 164 Ca 0.03 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1wpb h ILE 164 Cb 0.10 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1wpb h ILE 164 CO -0.06 0.03 -0.29 0.78 0.00 0.00 0.00 178.15 178.61 1wpb h ASN 165 N 0.15 0.76 -0.65 1.72 2.35 -0.20 -1.98 115.58 117.73 1wpb h ASN 165 Ca 0.39 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1wpb h ASN 165 Cb 0.68 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1wpb h ASN 165 CO -0.58 1.00 0.32 1.56 -1.65 0.00 0.00 177.43 178.08 1wpb h GLN 166 N 0.63 0.92 0.92 0.81 4.20 -0.67 -2.20 115.11 119.72 1wpb h GLN 166 Ca 0.08 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1wpb h GLN 166 Cb 0.81 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1wpb h GLN 166 CO 0.07 0.73 -0.44 0.82 -0.67 0.00 0.00 178.83 179.33 1wpb h ILE 167 N 0.89 0.00 0.00 2.54 2.04 -0.95 -3.12 117.51 118.90 1wpb h ILE 167 Ca 0.22 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1wpb h ILE 167 Cb 0.10 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1wpb h ILE 167 CO -0.03 0.00 -0.04 0.16 0.00 0.00 0.00 178.15 178.24 1wpb h ILE 168 N -1.33 0.72 -0.00 -0.67 3.07 -1.38 -2.26 117.51 115.66 1wpb h ILE 168 Ca -0.13 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1wpb h ILE 168 Cb 0.95 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1wpb h ILE 168 CO 0.21 0.04 -0.03 0.59 -1.05 0.00 0.00 178.15 177.90 1wpb n ASN 169 N -4.05 0.24 0.00 2.16 3.02 -0.83 -5.05 115.26 110.75 1wpb n ASN 169 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1wpb n ASN 169 Cb 0.12 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1wpb n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64