#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpb s GLU 4 N 0.00 3.86 0.52 -1.09 2.12 -1.26 -5.07 118.70 117.78 1wpb s GLU 4 Ca 0.00 0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.45 1wpb s GLU 4 Cb 0.00 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1wpb s GLU 4 CO 0.00 0.49 1.18 0.45 -0.54 0.00 0.00 175.26 176.84 1wpb s SER 5 N -1.84 5.74 0.57 -1.70 0.15 -1.26 -4.92 113.70 110.43 1wpb s SER 5 Ca 0.37 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.62 1wpb s SER 5 Cb -0.14 -2.60 1.52 0.00 -1.71 0.00 0.00 66.02 63.09 1wpb s SER 5 CO 0.19 -1.21 2.03 0.71 1.20 0.00 0.00 173.24 176.16 1wpb h THR 6 N 1.42 0.57 0.00 6.45 1.35 -1.97 -1.18 112.91 119.56 1wpb h THR 6 Ca -0.50 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 1wpb h THR 6 Cb 1.27 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1wpb h THR 6 CO 0.58 0.00 -0.11 0.24 -0.25 0.00 0.00 175.52 175.98 1wpb h MET 7 N 0.00 0.00 -0.22 4.72 2.86 -1.91 -1.91 114.93 118.47 1wpb h MET 7 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1wpb h MET 7 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1wpb h MET 7 CO -0.00 0.11 0.00 0.39 1.06 0.00 0.00 176.91 178.47 1wpb n GLU 8 N -3.42 1.71 -1.98 1.72 1.02 -0.45 -4.95 120.64 114.30 1wpb n GLU 8 Ca -0.01 -1.08 -0.34 0.00 -0.02 0.00 0.00 57.16 55.70 1wpb n GLU 8 Cb 0.28 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.72 3.03 0.68 3.49 0.23 -0.72 -5.00 119.30 119.29 1wpb s MET 9 Ca 0.29 1.52 -0.10 0.00 -1.03 0.00 0.00 55.69 56.37 1wpb s MET 9 Cb 0.15 -1.97 0.02 0.00 -1.53 0.00 0.00 34.83 31.50 1wpb s MET 9 CO 0.22 -1.09 1.04 0.95 -2.03 0.00 0.00 175.02 174.11 1wpb s THR 10 N -2.05 3.40 0.35 3.16 -4.23 -1.26 -4.86 115.64 110.14 1wpb s THR 10 Ca 0.70 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 1wpb s THR 10 Cb -0.23 -3.42 0.28 0.00 1.34 0.00 0.00 72.50 70.48 1wpb s THR 10 CO 0.35 -0.52 1.96 0.78 -0.54 0.00 0.00 174.62 176.65 1wpb h ASN 11 N -0.53 0.73 -0.71 3.99 4.21 -1.99 -0.41 115.58 120.87 1wpb h ASN 11 Ca -0.45 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.07 1wpb h ASN 11 Cb 1.26 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.26 1wpb h ASN 11 CO 0.63 0.49 0.47 0.00 -1.29 0.00 0.00 177.43 177.72 1wpb h ALA 12 N 1.58 0.91 -0.39 -0.83 0.00 -1.99 -0.91 119.26 117.63 1wpb h ALA 12 Ca 0.31 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1wpb h ALA 12 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1wpb h ALA 12 CO -0.10 0.31 -0.20 1.96 0.00 0.00 0.00 179.25 181.22 1wpb h GLN 13 N 0.95 0.76 -0.85 0.00 4.20 -1.62 -0.40 115.11 118.15 1wpb h GLN 13 Ca 0.27 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wpb h GLN 13 Cb -0.09 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1wpb h GLN 13 CO -0.07 0.90 0.55 0.00 -0.67 0.00 0.00 178.83 179.54 1wpb h ARG 14 N 0.67 1.14 -0.43 1.46 3.08 -0.81 -0.76 114.38 118.72 1wpb h ARG 14 Ca 0.10 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1wpb h ARG 14 Cb 0.70 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1wpb h ARG 14 CO 0.05 0.77 -0.21 1.25 -1.07 0.00 0.00 179.97 180.76 1wpb h LEU 15 N 1.16 0.92 -0.36 3.04 5.85 -0.82 0.17 115.31 125.27 1wpb h LEU 15 Ca 0.31 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1wpb h LEU 15 Cb -0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1wpb h LEU 15 CO -0.06 1.12 0.16 0.40 -0.34 0.00 0.00 178.44 179.72 1wpb h ILE 16 N 0.72 0.96 -0.34 4.05 2.04 -0.84 0.16 117.51 124.26 1wpb h ILE 16 Ca 0.09 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1wpb h ILE 16 Cb 0.78 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1wpb h ILE 16 CO 0.06 0.06 -0.00 -0.07 0.00 0.00 0.00 178.15 178.20 1wpb h LEU 17 N 0.34 0.59 -0.34 1.44 3.38 -1.05 -1.72 115.31 117.95 1wpb h LEU 17 Ca 0.15 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1wpb h LEU 17 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1wpb h LEU 17 CO -0.12 0.76 0.17 -1.28 0.09 0.00 0.00 178.44 178.05 1wpb h SER 18 N 0.41 0.24 -0.65 -0.43 0.87 -0.73 -0.10 113.55 113.16 1wpb h SER 18 Ca 0.10 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1wpb h SER 18 Cb 0.45 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1wpb h SER 18 CO 0.02 0.18 0.35 0.78 -0.53 0.00 0.00 176.83 177.63 1wpb h ASN 19 N 0.35 0.83 -0.57 6.23 2.35 -0.81 -1.95 115.58 122.00 1wpb h ASN 19 Ca 0.14 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1wpb h ASN 19 Cb 0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1wpb h ASN 19 CO -0.10 0.67 0.14 1.56 -1.65 0.00 0.00 177.43 178.05 1wpb h GLN 20 N 0.93 0.91 -0.45 0.81 4.20 -0.33 -0.94 115.11 120.24 1wpb h GLN 20 Ca 0.24 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1wpb h GLN 20 Cb 0.04 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1wpb h GLN 20 CO -0.04 0.84 0.08 1.88 -0.67 0.00 0.00 178.83 180.92 1wpb h TYR 21 N 0.81 0.70 -0.42 2.96 0.05 -0.67 0.17 116.97 120.57 1wpb h TYR 21 Ca 0.18 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 1wpb h TYR 21 Cb 0.34 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1wpb h TYR 21 CO 0.02 0.62 0.06 0.87 -1.05 0.00 0.00 178.16 178.69 1wpb h LYS 22 N 0.66 0.70 -0.69 4.88 1.57 -1.08 -2.13 116.57 120.48 1wpb h LYS 22 Ca 0.15 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1wpb h LYS 22 Cb 0.30 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1wpb h LYS 22 CO 0.00 0.75 0.28 0.52 -0.57 0.00 0.00 179.45 180.43 1wpb h MET 23 N 0.56 1.03 -0.38 3.15 2.86 -0.64 -2.88 114.93 118.62 1wpb h MET 23 Ca 0.13 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1wpb h MET 23 Cb 0.39 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1wpb h MET 23 CO 0.01 0.85 0.06 0.52 1.06 0.00 0.00 176.91 179.41 1wpb h MET 24 N 0.98 0.57 -0.50 1.72 2.86 -0.47 -0.28 114.93 119.81 1wpb h MET 24 Ca 0.23 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1wpb h MET 24 Cb 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1wpb h MET 24 CO -0.02 0.55 0.10 1.15 1.06 0.00 0.00 176.91 179.75 1wpb h THR 25 N 0.56 1.22 -0.37 2.22 2.02 -1.26 0.49 112.91 117.80 1wpb h THR 25 Ca 0.13 -0.83 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 1wpb h THR 25 Cb 0.26 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1wpb h THR 25 CO 0.00 0.30 -0.32 0.24 0.37 0.00 0.00 175.52 176.12 1wpb h MET 26 N 0.75 0.82 0.00 6.66 2.86 -1.15 -3.00 114.93 121.87 1wpb h MET 26 Ca 0.16 -0.39 -0.16 0.00 -2.06 0.00 0.00 59.70 57.25 1wpb h MET 26 Cb 0.31 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1wpb h MET 26 CO 0.00 1.02 -1.10 -0.07 1.06 0.00 0.00 176.91 177.83 1wpb h LEU 27 N 0.69 0.00 -5.92 1.22 3.38 -0.68 -3.40 115.31 110.61 1wpb h LEU 27 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 1wpb h LEU 27 Cb 0.87 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.25 1wpb h LEU 27 CO 0.08 0.65 -1.06 -0.67 0.09 0.00 0.00 178.44 177.52 1wpb n ASP 28 N -3.07 -0.08 0.07 -0.43 2.03 0.17 -5.00 116.55 110.25 1wpb n ASP 28 Ca -0.05 -2.74 0.12 0.00 0.52 0.00 0.00 54.79 52.63 1wpb n ASP 28 Cb 0.84 -0.44 0.60 0.00 -0.72 0.00 0.00 41.12 41.40 1wpb n ASP 28 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1wpb h PRO 29 N 4.00 0.16 -0.30 -0.67 0.11 -1.72 -1.76 132.00 131.82 1wpb h PRO 29 Ca 0.05 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.24 1wpb h PRO 29 Cb 0.89 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1wpb h PRO 29 CO 0.45 0.10 0.32 0.00 -0.21 0.00 0.00 178.00 178.66 1wpb h ALA 30 N 1.82 1.98 -0.23 -0.75 0.00 -1.94 -1.50 119.26 118.64 1wpb h ALA 30 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wpb h ALA 30 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wpb h ALA 30 CO -0.02 -0.47 0.00 0.09 0.00 0.00 0.00 179.25 178.85 1wpb n ASN 31 N -3.80 3.61 -0.19 0.00 3.02 -0.66 -4.69 115.26 112.54 1wpb n ASN 31 Ca 0.05 -2.94 0.13 0.00 -0.03 0.00 0.00 54.58 51.78 1wpb n ASN 31 Cb 0.47 -0.50 0.45 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.58 1.96 -0.43 5.41 0.00 -1.29 -0.63 119.26 125.87 1wpb h ALA 32 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1wpb h ALA 32 Cb 1.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1wpb h ALA 32 CO 0.18 -0.16 0.13 1.49 0.00 0.00 0.00 179.25 180.89 1wpb h GLU 33 N 0.54 0.28 -0.02 0.00 4.81 -1.84 0.26 114.58 118.62 1wpb h GLU 33 Ca 0.37 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1wpb h GLU 33 Cb 0.69 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1wpb h GLU 33 CO -0.14 0.19 0.01 0.00 -0.73 0.00 0.00 179.01 178.34 1wpb h ARG 34 N 0.29 0.04 -0.77 1.92 3.08 -1.51 -2.31 114.38 115.12 1wpb h ARG 34 Ca 0.20 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1wpb h ARG 34 Cb 0.21 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1wpb h ARG 34 CO -0.22 0.26 0.32 1.88 -1.07 0.00 0.00 179.97 181.13 1wpb h TYR 35 N -0.18 1.16 -0.40 3.04 0.05 -1.08 -2.07 116.97 117.49 1wpb h TYR 35 Ca 0.01 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.59 1wpb h TYR 35 Cb 0.23 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1wpb h TYR 35 CO 0.00 0.88 -0.23 0.00 -1.05 0.00 0.00 178.16 177.76 1wpb h ARG 36 N 1.12 0.80 -0.27 4.88 3.08 -0.52 0.96 114.38 124.44 1wpb h ARG 36 Ca 0.26 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1wpb h ARG 36 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1wpb h ARG 36 CO -0.02 0.95 0.17 -0.09 -1.07 0.00 0.00 179.97 179.91 1wpb h ARG 37 N 0.70 0.35 -0.49 0.04 2.43 -1.26 -1.38 114.38 114.76 1wpb h ARG 37 Ca 0.09 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1wpb h ARG 37 Cb 0.75 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1wpb h ARG 37 CO 0.06 0.23 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.59 1wpb h LEU 38 N 0.36 0.86 -0.49 3.80 3.38 -1.07 -1.46 115.31 120.68 1wpb h LEU 38 Ca 0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1wpb h LEU 38 Cb -0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1wpb h LEU 38 CO -0.03 0.97 0.25 -0.61 0.09 0.00 0.00 178.44 179.11 1wpb h GLN 39 N 0.79 0.47 -0.24 1.13 4.15 -0.66 -1.03 115.11 119.72 1wpb h GLN 39 Ca 0.13 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1wpb h GLN 39 Cb 0.59 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1wpb h GLN 39 CO 0.04 0.31 0.14 1.15 -1.93 0.00 0.00 178.83 178.54 1wpb h THR 40 N 0.48 1.10 -0.37 2.39 2.02 -0.82 -0.33 112.91 117.38 1wpb h THR 40 Ca 0.21 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.22 1wpb h THR 40 Cb 0.12 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1wpb h THR 40 CO -0.15 0.09 0.02 0.40 0.37 0.00 0.00 175.52 176.25 1wpb h ILE 41 N 0.30 0.74 -0.15 3.11 2.04 -0.99 0.13 117.51 122.68 1wpb h ILE 41 Ca 0.09 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1wpb h ILE 41 Cb 0.03 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1wpb h ILE 41 CO -0.02 0.02 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1wpb h ILE 42 N 0.12 1.30 -0.11 -0.67 1.08 -1.04 0.27 117.51 118.47 1wpb h ILE 42 Ca 0.18 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1wpb h ILE 42 Cb 0.25 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1wpb h ILE 42 CO -0.29 0.31 0.04 -0.33 -0.69 0.00 0.00 178.15 177.20 1wpb h GLU 43 N -0.00 0.16 -0.00 2.37 5.08 -0.93 -2.87 114.58 118.39 1wpb h GLU 43 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wpb h GLU 43 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wpb h GLU 43 CO 0.02 0.27 -0.04 0.54 -1.00 0.00 0.00 179.01 178.80 1wpb n ARG 44 N -4.91 0.04 -3.48 2.33 1.74 0.02 -4.93 116.66 107.46 1wpb n ARG 44 Ca -0.05 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.82 1wpb n ARG 44 Cb 0.11 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.48 -0.42 3.58 -0.13 0.00 0.00 -4.88 105.19 104.82 1wpb n GLY 45 Ca 0.07 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.33 1.90 0.28 1.61 2.02 -0.72 -4.88 117.35 114.22 1wpb s TYR 46 Ca 0.30 0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 1wpb s TYR 46 Cb -0.13 -4.17 0.38 0.00 -0.40 0.00 0.00 41.96 37.63 1wpb s TYR 46 CO 0.71 -2.48 1.87 0.78 -1.57 0.00 0.00 175.55 174.86 1wpb h GLY 47 N 14.30 1.06 0.89 0.71 0.00 -1.89 -1.52 103.07 116.62 1wpb h GLY 47 Ca -0.29 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 1wpb h GLY 47 CO 1.12 0.49 -0.00 -2.00 0.00 0.00 0.00 176.54 176.15 1wpb h LEU 48 N 0.99 -0.01 -1.06 3.11 5.85 -2.00 -1.78 115.31 120.41 1wpb h LEU 48 Ca 0.24 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1wpb h LEU 48 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1wpb h LEU 48 CO -0.03 0.10 0.13 1.56 -0.34 0.00 0.00 178.44 179.86 1wpb h GLN 49 N -0.12 0.80 -0.82 1.25 7.50 -1.93 -1.71 115.11 120.08 1wpb h GLN 49 Ca -0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 58.65 58.98 1wpb h GLN 49 Cb 0.11 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.48 1wpb h GLN 49 CO 0.00 0.72 0.45 0.52 -1.50 0.00 0.00 178.83 179.03 1wpb h MET 50 N 0.78 1.14 -0.21 1.46 2.86 -1.16 -1.95 114.93 117.85 1wpb h MET 50 Ca 0.17 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1wpb h MET 50 Cb 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1wpb h MET 50 CO -0.00 0.83 -0.30 0.07 1.06 0.00 0.00 176.91 178.57 1wpb h ARG 51 N 1.15 0.41 0.00 1.72 0.11 -0.61 -2.14 114.38 115.02 1wpb h ARG 51 Ca 0.29 -0.16 -0.05 0.00 0.10 0.00 0.00 59.98 60.16 1wpb h ARG 51 Cb 0.02 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1wpb h ARG 51 CO -0.05 0.67 -0.24 0.93 0.10 0.00 0.00 179.97 181.38 1wpb h GLU 52 N 0.36 0.00 -0.59 0.08 5.08 -0.77 -1.54 114.58 117.20 1wpb h GLU 52 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1wpb h GLU 52 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1wpb h GLU 52 CO 0.05 0.24 0.12 -0.07 -1.00 0.00 0.00 179.01 178.36 1wpb h LEU 53 N 0.00 0.87 -1.58 1.33 3.38 -0.70 -2.59 115.31 116.03 1wpb h LEU 53 Ca -0.00 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1wpb h LEU 53 Cb 0.46 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1wpb h LEU 53 CO 0.03 0.86 0.40 0.44 0.09 0.00 0.00 178.44 180.26 1wpb h ASP 54 N 0.88 0.44 0.59 -0.43 3.32 -1.06 -1.65 116.42 118.50 1wpb h ASP 54 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1wpb h ASP 54 Cb 0.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1wpb h ASP 54 CO 0.00 0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.34 1wpb n ARG 55 N -4.48 0.08 0.08 3.56 5.12 -0.97 -2.00 116.66 118.05 1wpb n ARG 55 Ca 0.09 0.15 0.13 0.00 -1.93 0.00 0.00 57.85 56.29 1wpb n ARG 55 Cb 0.30 -1.50 0.46 0.00 -1.16 0.00 0.00 32.46 30.56 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 -1.44 0.19 -3.93 5.56 1.02 -0.62 -4.78 120.64 116.63 1wpb n GLU 56 Ca 0.06 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 57.03 1wpb n GLU 56 Cb 0.21 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 29.78 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 -3.10 3.14 0.26 -0.32 0.08 -0.85 -5.10 117.98 112.09 1wpb s PHE 57 Ca 0.11 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1wpb s PHE 57 Cb 0.13 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1wpb s PHE 57 CO 0.55 -0.13 0.24 0.41 -0.10 0.00 0.00 175.22 176.19 1wpb n GLY 58 N 4.25 2.66 3.20 4.36 0.00 -1.26 -5.04 105.19 113.36 1wpb n GLY 58 Ca -0.16 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.10 0.35 -0.25 1.61 2.12 -1.26 -5.11 118.70 113.06 1wpb s GLU 59 Ca 0.18 0.60 -0.02 0.00 0.36 0.00 0.00 54.97 56.09 1wpb s GLU 59 Cb -0.01 0.04 0.08 0.00 0.26 0.00 0.00 34.13 34.50 1wpb s GLU 59 CO 0.12 -0.11 0.06 -1.17 -0.54 0.00 0.00 175.26 173.61 1wpb s LEU 60 N 0.86 1.63 0.63 2.70 2.96 -1.26 -5.13 118.68 121.06 1wpb s LEU 60 Ca -0.05 -1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 52.49 1wpb s LEU 60 Cb -0.06 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1wpb s LEU 60 CO -0.06 -0.35 0.88 0.29 -1.32 0.00 0.00 176.35 175.79 1wpb n LYS 61 N 4.96 0.74 -0.31 1.98 5.02 -1.26 -4.69 118.16 124.60 1wpb n LYS 61 Ca -0.06 0.29 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 1wpb n LYS 61 Cb 0.45 -2.10 0.20 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.26 0.77 -0.14 1.97 4.81 -2.00 -1.69 114.58 118.57 1wpb h GLU 62 Ca -0.48 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 1wpb h GLU 62 Cb 1.37 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1wpb h GLU 62 CO 0.49 0.51 -0.31 0.93 -0.73 0.00 0.00 179.01 179.90 1wpb h GLU 63 N 0.80 0.27 -0.27 1.92 4.39 -1.99 -1.42 114.58 118.27 1wpb h GLU 63 Ca 0.43 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 1wpb h GLU 63 Cb 0.46 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1wpb h GLU 63 CO -0.28 0.56 -0.13 1.15 -1.16 0.00 0.00 179.01 179.16 1wpb h THR 64 N 0.24 1.30 -0.39 1.13 2.02 -1.68 0.86 112.91 116.39 1wpb h THR 64 Ca 0.03 -1.21 0.07 0.00 0.77 0.00 0.00 66.41 66.08 1wpb h THR 64 Cb 0.68 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 1wpb h THR 64 CO 0.05 0.38 -0.05 0.00 0.37 0.00 0.00 175.52 176.27 1wpb h ARG 66 N 0.05 1.00 -0.47 0.00 3.08 -1.10 -1.81 114.38 115.13 1wpb h ARG 66 Ca 0.19 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1wpb h ARG 66 Cb 0.28 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1wpb h ARG 66 CO -0.36 0.89 0.20 1.15 -1.07 0.00 0.00 179.97 180.78 1wpb h THR 67 N 0.95 1.20 -0.77 2.04 2.02 -0.46 -0.56 112.91 117.33 1wpb h THR 67 Ca 0.20 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1wpb h THR 67 Cb 0.34 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1wpb h THR 67 CO 0.00 0.23 0.43 0.40 0.37 0.00 0.00 175.52 176.95 1wpb h ILE 68 N 0.61 1.23 -0.62 3.11 2.04 -0.86 -0.48 117.51 122.56 1wpb h ILE 68 Ca 0.16 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1wpb h ILE 68 Cb 0.18 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1wpb h ILE 68 CO -0.01 0.25 0.14 0.40 0.00 0.00 0.00 178.15 178.93 1wpb h ILE 69 N 1.07 1.25 -0.42 -0.67 2.04 -1.13 -2.76 117.51 116.89 1wpb h ILE 69 Ca 0.27 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1wpb h ILE 69 Cb 0.02 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1wpb h ILE 69 CO -0.05 0.35 0.09 -0.78 0.00 0.00 0.00 178.15 177.77 1wpb h ASP 70 N 0.91 0.59 -0.35 1.72 3.58 -0.48 0.67 116.42 123.06 1wpb h ASP 70 Ca 0.19 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1wpb h ASP 70 Cb 0.37 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1wpb h ASP 70 CO 0.00 0.60 0.20 0.40 -2.88 0.00 0.00 179.24 177.56 1wpb h ILE 71 N 0.62 1.13 -0.68 2.25 2.04 -0.90 0.23 117.51 122.20 1wpb h ILE 71 Ca 0.14 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1wpb h ILE 71 Cb 0.26 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1wpb h ILE 71 CO -0.00 0.13 0.39 0.24 0.00 0.00 0.00 178.15 178.91 1wpb h MET 72 N 0.45 0.93 -0.56 2.37 2.86 -1.10 -2.16 114.93 117.72 1wpb h MET 72 Ca 0.12 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1wpb h MET 72 Cb 0.03 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1wpb h MET 72 CO -0.02 0.67 0.23 1.49 1.06 0.00 0.00 176.91 180.34 1wpb h GLU 73 N 0.92 0.80 -0.41 1.72 4.57 -0.62 -0.88 114.58 120.69 1wpb h GLU 73 Ca 0.24 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1wpb h GLU 73 Cb -0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 1wpb h GLU 73 CO -0.04 0.65 0.20 1.98 -1.18 0.00 0.00 179.01 180.62 1wpb h MET 74 N 0.79 0.58 -0.03 1.92 4.05 -0.57 0.79 114.93 122.46 1wpb h MET 74 Ca 0.19 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 1wpb h MET 74 Cb 0.15 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1wpb h MET 74 CO -0.02 0.50 -0.45 1.88 0.23 0.00 0.00 176.91 179.05 1wpb h TYR 75 N 0.52 0.09 -0.39 1.39 0.05 -0.96 0.51 116.97 118.17 1wpb h TYR 75 Ca 0.14 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1wpb h TYR 75 Cb 0.11 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1wpb h TYR 75 CO -0.01 0.52 0.25 1.25 -1.05 0.00 0.00 178.16 179.12 1wpb h HIS 76 N 0.06 0.50 -0.25 4.88 2.76 -0.76 -0.08 115.15 122.26 1wpb h HIS 76 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1wpb h HIS 76 Cb 0.83 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1wpb h HIS 76 CO 0.00 0.33 0.16 0.00 -1.30 0.00 0.00 177.93 177.13 1wpb h ALA 77 N 1.13 0.32 -0.26 5.26 0.00 -0.05 -0.75 119.26 124.91 1wpb h ALA 77 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wpb h ALA 77 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wpb h ALA 77 CO -0.03 -0.19 0.10 -0.07 0.00 0.00 0.00 179.25 179.06 1wpb h LEU 78 N 0.33 0.36 -0.40 0.00 3.38 0.04 -2.07 115.31 116.95 1wpb h LEU 78 Ca 0.09 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1wpb h LEU 78 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wpb h LEU 78 CO -0.02 0.42 -0.16 -0.74 0.09 0.00 0.00 178.44 178.04 1wpb h HIS 79 N 0.27 0.93 0.26 1.13 2.76 -0.89 0.27 115.15 119.88 1wpb h HIS 79 Ca 0.09 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1wpb h HIS 79 Cb 0.18 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 1wpb h HIS 79 CO -0.01 0.97 -0.15 0.28 -1.30 0.00 0.00 177.93 177.72 1wpb h VAL 80 N 0.62 0.69 -0.71 5.26 2.07 -1.15 0.26 116.25 123.30 1wpb h VAL 80 Ca 0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1wpb h VAL 80 Cb 0.70 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 1wpb h VAL 80 CO 0.05 0.00 0.23 0.28 0.02 0.00 0.00 177.57 178.15 1wpb h SER 81 N -0.39 0.15 0.42 0.57 0.02 -1.32 -1.30 113.55 111.70 1wpb h SER 81 Ca -0.03 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1wpb h SER 81 Cb 0.32 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1wpb h SER 81 CO 0.03 0.05 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.32 1wpb h TRP 82 N 0.35 -0.52 -1.00 3.45 7.01 -0.55 -2.86 115.95 121.84 1wpb h TRP 82 Ca 0.39 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.63 1wpb h TRP 82 Cb 0.61 0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.77 1wpb h TRP 82 CO -0.21 -0.20 0.67 0.66 -2.79 0.00 0.00 178.44 176.57 1wpb h SER 83 N -0.83 0.32 -0.37 2.65 4.64 -0.20 0.11 113.55 119.86 1wpb h SER 83 Ca -0.06 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1wpb h SER 83 Cb 0.55 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1wpb h SER 83 CO 0.09 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.73 1wpb n ASN 84 N -4.49 2.79 -4.91 4.97 3.02 -0.52 -4.90 115.26 111.24 1wpb n ASN 84 Ca 0.23 -2.21 -0.28 0.00 -0.03 0.00 0.00 54.58 52.29 1wpb n ASN 84 Cb 0.88 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.22 3.31 -0.03 3.41 1.43 0.37 -5.05 118.68 120.90 1wpb s LEU 85 Ca 0.29 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1wpb s LEU 85 Cb 0.18 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1wpb s LEU 85 CO 0.15 -0.93 -0.07 0.00 0.23 0.00 0.00 176.35 175.73 1wpb n GLN 86 N -2.55 0.10 -2.90 1.70 3.00 -1.26 -4.66 117.38 110.81 1wpb n GLN 86 Ca 0.04 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 1wpb n GLN 86 Cb 0.56 -0.63 -0.05 0.00 0.00 0.00 0.00 30.24 30.13 1wpb n GLN 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1wpb s ASP 87 N -4.54 6.57 -0.54 1.08 1.47 -1.26 -5.01 116.67 114.44 1wpb s ASP 87 Ca -0.06 0.37 -0.25 0.00 1.18 0.00 0.00 52.55 53.80 1wpb s ASP 87 Cb 0.01 -2.42 0.04 0.00 -0.34 0.00 0.00 42.92 40.21 1wpb s ASP 87 CO 0.08 -0.80 0.96 -1.10 0.68 0.00 0.00 175.17 174.99 1wpb s GLN 88 N 3.27 3.37 -0.18 2.11 -0.21 -1.26 -4.94 119.66 121.81 1wpb s GLN 88 Ca 0.34 -0.17 -0.19 0.00 0.02 0.00 0.00 55.36 55.35 1wpb s GLN 88 Cb -0.12 -4.04 -0.22 0.00 1.00 0.00 0.00 33.01 29.63 1wpb s GLN 88 CO 0.19 -1.48 1.52 1.04 -2.12 0.00 0.00 175.29 174.43 1wpb n GLN 89 N 7.52 0.37 -1.54 2.91 3.00 -1.26 -3.84 117.38 124.54 1wpb n GLN 89 Ca 0.03 -1.02 -0.16 0.00 -0.01 0.00 0.00 57.00 55.84 1wpb n GLN 89 Cb 0.48 -2.42 -0.06 0.00 0.00 0.00 0.00 30.24 28.23 1wpb n GLN 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1wpb n SER 90 N 7.33 -4.19 -4.59 1.08 7.64 -1.26 -4.89 113.62 114.74 1wpb n SER 90 Ca 0.34 0.37 -0.43 0.00 1.01 0.00 0.00 58.87 60.16 1wpb n SER 90 Cb 0.28 -3.80 -0.02 0.00 -1.01 0.00 0.00 64.21 59.66 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 -2.37 3.95 0.13 0.44 1.01 -1.25 -4.96 121.20 118.14 1wpb s ILE 91 Ca 0.00 0.92 -0.31 0.00 0.00 0.00 0.00 60.65 61.26 1wpb s ILE 91 Cb 0.00 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 1wpb s ILE 91 CO 0.00 -0.98 1.54 -0.62 0.00 0.00 0.00 174.94 174.89 1wpb s ASP 92 N 3.65 6.65 0.42 3.58 3.68 -1.26 -4.93 116.67 128.46 1wpb s ASP 92 Ca 0.54 2.51 0.09 0.00 2.13 0.00 0.00 52.55 57.83 1wpb s ASP 92 Cb -0.11 -2.58 0.93 0.00 -1.45 0.00 0.00 42.92 39.71 1wpb s ASP 92 CO 0.30 -0.80 2.04 -0.08 0.13 0.00 0.00 175.17 176.76 1wpb h GLU 93 N 7.15 0.48 -0.21 4.34 4.81 -1.97 0.28 114.58 129.45 1wpb h GLU 93 Ca -0.42 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1wpb h GLU 93 Cb 1.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1wpb h GLU 93 CO 0.91 0.32 0.40 -0.09 -0.73 0.00 0.00 179.01 179.81 1wpb h ARG 94 N 0.49 0.00 0.00 1.92 2.43 -1.94 -2.36 114.38 114.92 1wpb h ARG 94 Ca 0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1wpb h ARG 94 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1wpb h ARG 94 CO -0.05 0.00 -0.91 0.00 -1.51 0.00 0.00 179.97 177.51 1wpb h ARG 95 N 0.00 0.00 -0.76 0.20 2.47 -1.31 -3.20 114.38 111.78 1wpb h ARG 95 Ca 0.10 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.42 1wpb h ARG 95 Cb 0.90 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 28.98 1wpb h ARG 95 CO -0.00 0.23 0.37 1.33 0.56 0.00 0.00 179.97 182.46 1wpb n VAL 96 N -2.94 2.98 -4.84 2.04 0.24 -0.90 -4.92 118.33 109.98 1wpb n VAL 96 Ca -0.03 -2.32 -0.31 0.00 -2.04 0.00 0.00 64.34 59.64 1wpb n VAL 96 Cb 0.70 -0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.38 1.90 -0.06 3.34 2.01 -1.13 -4.19 115.64 114.13 1wpb s THR 97 Ca 0.53 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1wpb s THR 97 Cb 0.45 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1wpb s THR 97 CO 0.06 0.52 1.58 0.12 -0.69 0.00 0.00 174.62 176.21 1wpb s PHE 98 N 0.65 2.19 -0.88 4.92 5.36 -1.26 -4.89 117.98 124.06 1wpb s PHE 98 Ca -0.12 0.36 0.20 0.00 -0.96 0.00 0.00 56.93 56.41 1wpb s PHE 98 Cb -0.16 -3.84 -0.23 0.00 -0.34 0.00 0.00 43.02 38.45 1wpb s PHE 98 CO 0.03 -3.44 0.83 1.28 -1.46 0.00 0.00 175.22 172.46 1wpb n LEU 99 N 6.86 0.88 0.00 6.12 4.77 -1.26 -4.88 117.00 129.49 1wpb n LEU 99 Ca 0.16 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1wpb n LEU 99 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wpb n LEU 99 CO 0.61 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1wpb n GLY 100 N 1.47 0.72 3.31 -0.72 0.00 -1.26 -3.66 105.19 105.04 1wpb n GLY 100 Ca 0.03 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 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 1.53 -0.21 1.61 0.08 -0.55 -4.68 117.98 115.77 1wpb s PHE 101 Ca 0.00 -1.33 -0.18 0.00 0.12 0.00 0.00 56.93 55.54 1wpb s PHE 101 Cb 0.00 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 1wpb s PHE 101 CO 0.00 -0.50 0.51 0.34 -0.10 0.00 0.00 175.22 175.47 1wpb s ASP 102 N -3.33 6.54 0.35 1.36 2.15 -1.25 0.15 116.67 122.64 1wpb s ASP 102 Ca 0.37 0.65 0.02 0.00 0.43 0.00 0.00 52.55 54.02 1wpb s ASP 102 Cb 0.06 -2.29 0.63 0.00 -0.30 0.00 0.00 42.92 41.02 1wpb s ASP 102 CO 0.16 -0.19 2.00 0.00 -0.17 0.00 0.00 175.17 176.98 1wpb h ALA 103 N 7.52 1.55 -0.03 3.66 0.00 -1.92 0.26 119.26 130.30 1wpb h ALA 103 Ca -0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1wpb h ALA 103 Cb 1.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wpb h ALA 103 CO 0.74 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 180.29 1wpb h ALA 104 N 1.59 0.05 0.00 0.00 0.00 -1.96 -3.30 119.26 115.65 1wpb h ALA 104 Ca 0.25 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1wpb h ALA 104 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1wpb h ALA 104 CO -0.06 -0.06 -2.23 0.25 0.00 0.00 0.00 179.25 177.16 1wpb n THR 105 N -4.67 0.88 -2.45 0.00 -2.24 -1.21 -4.62 114.28 99.97 1wpb n THR 105 Ca -0.09 -0.72 -0.17 0.00 -2.27 0.00 0.00 64.05 60.81 1wpb n THR 105 Cb 0.37 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.56 2.68 0.01 -0.78 1.02 0.91 -4.89 120.64 117.02 1wpb n GLU 106 Ca -0.22 -3.94 -0.07 0.00 -0.02 0.00 0.00 57.16 52.90 1wpb n GLU 106 Cb 0.94 -1.92 0.10 0.00 -0.02 0.00 0.00 31.44 30.53 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 2.55 0.82 -0.87 0.62 0.00 -1.61 -1.20 119.26 119.57 1wpb h ALA 107 Ca 0.15 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1wpb h ALA 107 Cb 1.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1wpb h ALA 107 CO 0.61 0.66 0.55 0.00 0.00 0.00 0.00 179.25 181.07 1wpb h ARG 108 N 0.42 1.03 -0.19 0.00 3.08 -1.90 0.73 114.38 117.55 1wpb h ARG 108 Ca 0.03 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1wpb h ARG 108 Cb 0.97 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wpb h ARG 108 CO 0.09 0.68 -0.18 1.88 -1.07 0.00 0.00 179.97 181.36 1wpb h TYR 109 N 1.06 0.54 -0.66 3.04 0.05 -1.84 -2.13 116.97 117.03 1wpb h TYR 109 Ca 0.36 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1wpb h TYR 109 Cb 0.05 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1wpb h TYR 109 CO -0.02 0.81 0.28 1.25 -1.05 0.00 0.00 178.16 179.43 1wpb h LEU 110 N 0.11 0.90 -1.37 3.88 5.85 -1.11 -1.36 115.31 122.21 1wpb h LEU 110 Ca 0.03 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1wpb h LEU 110 Cb 0.72 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1wpb h LEU 110 CO 0.05 0.81 0.46 1.23 -0.34 0.00 0.00 178.44 180.65 1wpb h GLY 111 N 0.92 0.94 1.01 3.75 0.00 -0.81 -1.61 103.07 107.29 1wpb h GLY 111 Ca 0.22 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1wpb h GLY 111 CO -0.02 0.26 -0.42 -1.82 0.00 0.00 0.00 176.54 174.54 1wpb h TYR 112 N 0.80 0.90 -0.36 5.60 3.20 -0.67 -1.73 116.97 124.70 1wpb h TYR 112 Ca 0.29 -0.31 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1wpb h TYR 112 Cb 0.14 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1wpb h TYR 112 CO -0.00 1.09 0.11 0.28 -1.64 0.00 0.00 178.16 178.00 1wpb h VAL 113 N 0.44 0.86 -0.32 1.81 2.07 -0.97 -0.26 116.25 119.89 1wpb h VAL 113 Ca 0.02 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1wpb h VAL 113 Cb 1.02 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1wpb h VAL 113 CO 0.10 0.04 0.00 0.03 0.02 0.00 0.00 177.57 177.76 1wpb h ARG 114 N 0.25 0.49 -0.21 1.57 3.08 -1.23 -1.22 114.38 117.11 1wpb h ARG 114 Ca 0.17 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1wpb h ARG 114 Cb 0.17 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1wpb h ARG 114 CO -0.19 0.51 -0.30 0.35 -1.07 0.00 0.00 179.97 179.27 1wpb h PHE 115 N 0.47 0.70 -0.50 3.04 3.57 -0.68 0.29 116.94 123.83 1wpb h PHE 115 Ca 0.10 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 1wpb h PHE 115 Cb 0.30 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1wpb h PHE 115 CO 0.01 0.95 0.14 0.52 -2.23 0.00 0.00 178.31 177.71 1wpb h MET 116 N 0.25 0.75 0.00 1.11 2.86 -0.65 -0.08 114.93 119.16 1wpb h MET 116 Ca 0.02 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.39 1wpb h MET 116 Cb 0.88 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1wpb h MET 116 CO 0.07 0.66 -0.79 0.28 1.06 0.00 0.00 176.91 178.19 1wpb h VAL 117 N 0.73 1.10 0.16 -2.22 2.07 -1.16 0.46 116.25 117.39 1wpb h VAL 117 Ca 0.17 -2.12 -0.30 0.00 0.82 0.00 0.00 66.70 65.27 1wpb h VAL 117 Cb 0.24 2.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1wpb h VAL 117 CO -0.01 0.37 -1.34 0.78 0.02 0.00 0.00 177.57 177.39 1wpb h ASN 118 N -1.00 0.53 0.00 0.57 2.35 -0.48 -2.20 115.58 115.35 1wpb h ASN 118 Ca -0.21 -0.59 -0.22 0.00 -0.55 0.00 0.00 56.30 54.73 1wpb h ASN 118 Cb 1.12 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 1wpb h ASN 118 CO -0.13 1.46 -1.45 0.52 -1.65 0.00 0.00 177.43 176.18 1wpb n VAL 119 N -3.57 1.51 0.20 2.81 0.31 -0.34 -4.46 118.33 114.79 1wpb n VAL 119 Ca -0.12 -0.06 0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1wpb n VAL 119 Cb 1.05 -2.11 0.18 0.00 -0.91 0.00 0.00 33.84 32.05 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 -1.07 -3.48 114.58 118.97 1wpb h GLU 120 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1wpb h GLU 120 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1wpb h GLU 120 CO -0.20 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 1wpb n GLY 121 N 1.00 0.42 3.88 -3.84 0.00 -0.51 -4.96 105.19 101.18 1wpb n GLY 121 Ca 0.03 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.03 3.76 -1.45 1.61 3.52 0.03 -4.22 118.95 120.18 1wpb s ARG 122 Ca 0.00 0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 55.68 1wpb s ARG 122 Cb 0.00 -2.80 0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1wpb s ARG 122 CO 0.00 0.42 0.95 0.66 -0.81 0.00 0.00 175.30 176.52 1wpb n TYR 123 N 0.22 -2.46 0.47 5.12 4.01 -1.26 -3.98 117.16 119.27 1wpb n TYR 123 Ca -0.03 0.83 0.11 0.00 -0.16 0.00 0.00 57.90 58.66 1wpb n TYR 123 Cb 0.52 -4.52 0.46 0.00 -0.31 0.00 0.00 39.34 35.48 1wpb n TYR 123 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wpb n THR 124 N -4.75 0.79 0.93 -0.72 -2.24 -1.26 -2.13 114.28 104.89 1wpb n THR 124 Ca -0.01 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1wpb n THR 124 Cb 0.57 -1.03 0.36 0.00 -2.10 0.00 0.00 70.33 68.13 1wpb n THR 124 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wpb n HIS 125 N -2.11 0.11 -1.96 4.78 8.25 -1.26 -4.90 115.22 118.13 1wpb n HIS 125 Ca 0.03 0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 1wpb n HIS 125 Cb 0.26 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 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 -3.03 2.81 -0.34 4.41 0.40 -0.91 -4.98 117.98 116.35 1wpb s PHE 126 Ca 0.11 1.29 -0.29 0.00 -0.60 0.00 0.00 56.93 57.44 1wpb s PHE 126 Cb 0.17 -3.85 0.01 0.00 0.51 0.00 0.00 43.02 39.85 1wpb s PHE 126 CO 0.65 -2.43 1.29 0.34 0.70 0.00 0.00 175.22 175.76 1wpb s ASP 127 N -0.32 6.63 0.03 1.36 -1.08 -1.26 -4.90 116.67 117.14 1wpb s ASP 127 Ca 0.51 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 53.89 1wpb s ASP 127 Cb -0.43 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 39.62 1wpb s ASP 127 CO 0.58 -1.14 1.88 0.00 0.52 0.00 0.00 175.17 177.01 1wpb n ALA 128 N 7.79 2.37 -0.09 3.66 0.00 -1.26 -4.86 120.51 128.12 1wpb n ALA 128 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wpb n ALA 128 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.47 -1.27 0.99 0.00 0.00 -1.26 -0.88 105.19 104.24 1wpb n GLY 129 Ca 0.07 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 0.16 -1.31 2.61 -2.24 -1.26 -4.26 114.28 107.98 1wpb n THR 130 Ca 0.00 -0.56 0.07 0.00 -2.27 0.00 0.00 64.05 61.29 1wpb n THR 130 Cb 0.00 1.26 0.11 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.32 0.00 -3.60 4.78 8.25 -1.26 -5.02 115.22 119.68 1wpb n HIS 131 Ca 0.16 -0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 56.65 1wpb n HIS 131 Cb 0.58 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.07 -0.37 2.29 -1.41 0.00 -1.15 -2.40 105.19 101.07 1wpb n GLY 132 Ca 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.34 0.00 -2.64 1.61 3.72 -0.06 -4.92 117.46 110.83 1wpb n PHE 133 Ca -0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 1wpb n PHE 133 Cb 0.65 -1.28 -0.02 0.00 -0.94 0.00 0.00 39.48 37.89 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 -2.55 6.68 0.37 4.37 3.84 -1.01 -1.48 114.94 125.17 1wpb s ASN 134 Ca 0.00 0.55 0.20 0.00 0.21 0.00 0.00 52.86 53.82 1wpb s ASN 134 Cb 0.00 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.54 1wpb s ASN 134 CO 0.00 -1.14 1.59 0.00 -2.79 0.00 0.00 177.10 174.76 1wpb h ALA 135 N 8.95 0.86 -0.52 1.71 0.00 0.14 -3.46 119.26 126.94 1wpb h ALA 135 Ca -0.23 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1wpb h ALA 135 Cb 1.06 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1wpb h ALA 135 CO 1.09 0.33 -0.20 0.00 0.00 0.00 0.00 179.25 180.47 1wpb n GLN 136 N -3.20 -1.50 -3.77 0.00 10.64 -1.24 -4.95 117.38 113.35 1wpb n GLN 136 Ca 0.02 0.86 -0.13 0.00 -1.83 0.00 0.00 57.00 55.92 1wpb n GLN 136 Cb 0.59 -5.17 -0.09 0.00 -0.86 0.00 0.00 30.24 24.72 1wpb n GLN 136 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1wpb s THR 137 N -2.03 0.06 0.32 -0.39 -1.32 -1.26 -4.96 115.64 106.06 1wpb s THR 137 Ca 0.00 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 59.69 1wpb s THR 137 Cb 0.00 -0.59 -0.11 0.00 -1.51 0.00 0.00 72.50 70.29 1wpb s THR 137 CO 0.00 -0.27 1.42 -2.84 -2.21 0.00 0.00 174.62 170.71 1wpb s PRO 138 N -1.33 4.24 0.00 7.08 0.02 -1.26 -3.82 135.00 139.93 1wpb s PRO 138 Ca -0.14 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1wpb s PRO 138 Cb -0.06 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1wpb s PRO 138 CO 0.04 -0.39 0.06 -1.33 -0.33 0.00 0.00 177.00 175.05 1wpb n MET 139 N 1.20 4.19 0.36 5.54 2.81 -1.26 -4.89 117.12 125.06 1wpb n MET 139 Ca 0.03 -0.06 -0.19 0.00 -1.81 0.00 0.00 57.70 55.67 1wpb n MET 139 Cb 0.40 -0.45 -0.10 0.00 -0.71 0.00 0.00 33.22 32.36 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 -1.37 -0.73 2.03 2.91 -1.90 -2.15 115.95 114.74 1wpb h TRP 140 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1wpb h TRP 140 Cb 0.02 0.52 -0.04 0.00 -0.51 0.00 0.00 29.16 29.15 1wpb h TRP 140 CO 0.00 -0.70 0.47 0.93 -1.03 0.00 0.00 178.44 178.10 1wpb h GLU 141 N -1.10 0.97 -0.80 2.65 5.08 -2.00 -2.15 114.58 117.24 1wpb h GLU 141 Ca -0.08 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1wpb h GLU 141 Cb 0.92 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1wpb h GLU 141 CO 0.01 0.66 0.36 -0.22 -1.00 0.00 0.00 179.01 178.82 1wpb h LYS 142 N 1.00 1.16 -0.08 2.33 1.63 -1.89 -2.21 116.57 118.51 1wpb h LYS 142 Ca 0.27 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1wpb h LYS 142 Cb -0.08 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.34 1wpb h LYS 142 CO -0.05 0.91 -0.18 1.88 -3.45 0.00 0.00 179.45 178.56 1wpb h TYR 143 N 1.14 0.14 -0.46 1.91 0.05 -0.78 -1.62 116.97 117.34 1wpb h TYR 143 Ca 0.27 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.94 1wpb h TYR 143 Cb 0.15 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1wpb h TYR 143 CO 0.01 0.32 -0.07 1.96 -1.05 0.00 0.00 178.16 179.33 1wpb h GLN 144 N 0.13 0.81 -0.48 4.88 1.08 -0.81 0.71 115.11 121.42 1wpb h GLN 144 Ca 0.02 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.88 1wpb h GLN 144 Cb 0.41 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1wpb h GLN 144 CO 0.03 0.86 -0.05 0.00 -0.95 0.00 0.00 178.83 178.72 1wpb h ARG 145 N 0.74 0.88 0.08 1.46 2.47 -1.05 -2.02 114.38 116.94 1wpb h ARG 145 Ca 0.13 -0.30 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1wpb h ARG 145 Cb 0.55 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1wpb h ARG 145 CO 0.03 0.94 -0.04 0.52 0.56 0.00 0.00 179.97 181.99 1wpb h MET 146 N 0.73 -0.11 -0.94 0.04 2.86 -0.85 -2.71 114.93 113.96 1wpb h MET 146 Ca 0.13 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 1wpb h MET 146 Cb 0.58 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 1wpb h MET 146 CO 0.03 -0.03 0.59 -0.07 1.06 0.00 0.00 176.91 178.50 1wpb h LEU 147 N -0.16 0.93 -0.99 1.22 3.38 -0.82 -0.21 115.31 118.66 1wpb h LEU 147 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wpb h LEU 147 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1wpb h LEU 147 CO 0.02 0.58 0.65 -1.13 0.09 0.00 0.00 178.44 178.65 1wpb h ASN 148 N 1.06 1.13 -0.12 -0.43 -1.24 -1.14 -0.99 115.58 113.86 1wpb h ASN 148 Ca 0.42 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.34 1wpb h ASN 148 Cb 0.21 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1wpb h ASN 148 CO -0.19 0.82 -0.14 0.58 -1.29 0.00 0.00 177.43 177.21 1wpb h VAL 149 N 1.34 1.36 -0.18 2.57 2.07 -1.11 -3.02 116.25 119.28 1wpb h VAL 149 Ca 0.36 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1wpb h VAL 149 Cb -0.15 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1wpb h VAL 149 CO -0.08 0.39 -0.01 -0.25 0.02 0.00 0.00 177.57 177.64 1wpb h TRP 150 N -0.09 -0.03 0.00 1.57 7.01 -0.83 -1.68 115.95 121.90 1wpb h TRP 150 Ca 0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wpb h TRP 150 Cb 0.69 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1wpb h TRP 150 CO 0.09 -0.04 0.00 0.45 -2.79 0.00 0.00 178.44 176.15 1wpb h HIS 151 N 0.04 0.00 0.00 2.65 3.86 -1.28 -2.47 115.15 117.95 1wpb h HIS 151 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1wpb h HIS 151 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1wpb h HIS 151 CO -0.17 0.00 -0.21 0.00 0.86 0.00 0.00 177.93 178.41 1wpb h ALA 152 N 2.20 0.86 -2.59 2.45 0.00 -1.18 -3.46 119.26 117.54 1wpb h ALA 152 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1wpb h ALA 152 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.28 1wpb h ALA 152 CO 0.00 0.00 0.90 0.00 0.00 0.00 0.00 179.25 180.15 1wpb n PRO 154 N 4.16 0.03 -3.78 0.00 -0.04 -1.26 -4.19 135.00 129.92 1wpb n PRO 154 Ca 0.14 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1wpb n PRO 154 Cb 0.39 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 1wpb n PRO 154 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wpb s ARG 155 N -3.08 0.05 0.01 0.54 3.52 -1.26 -5.07 118.95 113.65 1wpb s ARG 155 Ca 0.04 0.25 0.24 0.00 -0.13 0.00 0.00 55.73 56.12 1wpb s ARG 155 Cb 0.06 -0.15 0.26 0.00 -1.56 0.00 0.00 34.95 33.56 1wpb s ARG 155 CO 0.19 -0.13 1.24 1.04 -0.81 0.00 0.00 175.30 176.83 1wpb n GLN 156 N 3.92 0.03 -4.38 5.12 6.02 -1.26 -4.85 117.38 121.97 1wpb n GLN 156 Ca -0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.54 1wpb n GLN 156 Cb 0.53 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 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 -3.02 1.91 -1.13 1.08 2.02 -1.26 -4.74 117.35 112.21 1wpb s TYR 157 Ca 0.10 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1wpb s TYR 157 Cb 0.17 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 1wpb s TYR 157 CO 0.76 0.44 0.94 0.72 -1.57 0.00 0.00 175.55 176.85 1wpb n HIS 158 N -0.22 -2.31 -3.03 2.71 8.25 -1.26 -4.95 115.22 114.41 1wpb n HIS 158 Ca -0.09 0.89 -0.37 0.00 -0.26 0.00 0.00 57.72 57.89 1wpb n HIS 158 Cb 0.59 -4.55 -0.06 0.00 1.12 0.00 0.00 29.99 27.09 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 4.37 1.13 2.41 1.43 -1.26 -5.05 118.68 115.82 1wpb s LEU 159 Ca 0.24 1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.72 1wpb s LEU 159 Cb -0.03 -3.63 0.26 0.00 0.03 0.00 0.00 46.19 42.82 1wpb s LEU 159 CO 0.74 0.03 1.05 -0.94 0.23 0.00 0.00 176.35 177.46 1wpb s SER 160 N -1.59 1.38 0.29 2.29 1.04 -1.26 -4.77 113.70 111.08 1wpb s SER 160 Ca 0.43 1.32 0.06 0.00 0.48 0.00 0.00 55.95 58.25 1wpb s SER 160 Cb -0.18 -2.05 0.45 0.00 0.10 0.00 0.00 66.02 64.34 1wpb s SER 160 CO 0.22 -3.92 1.70 0.00 0.98 0.00 0.00 173.24 172.22 1wpb h ALA 161 N -2.43 1.10 -0.25 5.32 0.00 -1.95 -1.88 119.26 119.17 1wpb h ALA 161 Ca -0.59 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 53.81 1wpb h ALA 161 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wpb h ALA 161 CO 0.53 0.59 -0.24 -0.97 0.00 0.00 0.00 179.25 179.16 1wpb h ASN 162 N 0.21 0.64 -0.43 0.00 -0.73 -1.99 -1.28 115.58 111.99 1wpb h ASN 162 Ca 0.02 -0.47 0.02 0.00 1.87 0.00 0.00 56.30 57.74 1wpb h ASN 162 Cb 0.82 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.20 1wpb h ASN 162 CO 0.06 0.97 0.25 -0.33 -0.37 0.00 0.00 177.43 178.02 1wpb h GLU 163 N 0.31 0.49 -0.82 6.67 5.08 -1.90 0.06 114.58 124.47 1wpb h GLU 163 Ca 0.04 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1wpb h GLU 163 Cb 0.79 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1wpb h GLU 163 CO 0.06 0.32 0.49 0.82 -1.00 0.00 0.00 179.01 179.70 1wpb h ILE 164 N 0.50 1.00 -0.41 3.13 2.04 -1.17 -1.91 117.51 120.70 1wpb h ILE 164 Ca 0.17 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1wpb h ILE 164 Cb 0.02 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1wpb h ILE 164 CO -0.09 0.16 -0.31 0.78 0.00 0.00 0.00 178.15 178.69 1wpb h ASN 165 N 0.88 0.98 -0.59 1.72 2.35 -0.61 -0.90 115.58 119.41 1wpb h ASN 165 Ca 0.37 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1wpb h ASN 165 Cb 0.21 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1wpb h ASN 165 CO -0.19 1.22 0.38 1.56 -1.65 0.00 0.00 177.43 178.75 1wpb h GLN 166 N 0.76 0.79 0.28 0.81 4.20 -0.73 -1.05 115.11 120.17 1wpb h GLN 166 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1wpb h GLN 166 Cb 0.90 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1wpb h GLN 166 CO 0.08 0.54 -0.13 0.82 -0.67 0.00 0.00 178.83 179.47 1wpb h ILE 167 N 0.81 0.75 -0.06 2.54 2.04 -1.11 -2.76 117.51 119.71 1wpb h ILE 167 Ca 0.22 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1wpb h ILE 167 Cb -0.07 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1wpb h ILE 167 CO -0.04 0.12 -0.03 0.16 0.00 0.00 0.00 178.15 178.36 1wpb h ILE 168 N -0.72 1.06 0.00 -0.67 3.07 -1.18 -2.08 117.51 116.99 1wpb h ILE 168 Ca -0.04 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1wpb h ILE 168 Cb 0.49 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1wpb h ILE 168 CO 0.06 0.08 0.00 0.78 -1.05 0.00 0.00 178.15 178.02 1wpb h ASN 169 N 0.09 0.00 0.00 2.16 2.35 -1.14 -3.50 115.58 115.53 1wpb h ASN 169 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1wpb h ASN 169 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1wpb h ASN 169 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78