#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns n ASN 9 N 0.00 -4.71 -3.96 0.55 3.02 -1.26 -4.94 115.26 103.96 1pns n ASN 9 Ca 0.00 1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 55.35 1pns n ASN 9 Cb 0.00 -3.84 -0.07 0.00 -0.61 0.00 0.00 39.78 35.26 1pns n ASN 9 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1pns n LEU 10 N 1.65 4.12 0.07 3.41 -0.00 -1.26 -4.95 117.00 120.04 1pns n LEU 10 Ca -0.17 -5.21 0.00 0.00 -0.00 0.00 0.00 56.01 50.64 1pns n LEU 10 Cb 0.33 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 1pns n LEU 10 CO 0.26 1.69 0.30 -1.20 -0.00 0.00 0.00 177.39 178.43 1pns n SER 11 N 1.92 0.00 -0.98 1.96 7.64 -1.26 -1.45 113.62 121.45 1pns n SER 11 Ca 0.23 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1pns n SER 11 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1pns n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pns n ALA 12 N -0.66 2.44 0.11 -0.43 0.00 -1.26 -2.78 120.51 117.93 1pns n ALA 12 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1pns n ALA 12 Cb 0.30 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.83 1pns n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pns h LEU 13 N 1.02 0.03 -0.93 0.00 4.07 -1.69 -3.00 115.31 114.82 1pns h LEU 13 Ca 0.00 -0.02 0.37 0.00 0.08 0.00 0.00 57.88 58.30 1pns h LEU 13 Cb 0.92 -0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.51 1pns h LEU 13 CO 0.00 0.75 0.53 1.17 -1.08 0.00 0.00 178.44 179.81 1pns n LYS 14 N -3.68 -0.05 -0.02 1.13 4.81 -1.12 0.14 118.16 119.38 1pns n LYS 14 Ca -0.01 1.14 -0.09 0.00 -0.87 0.00 0.00 58.31 58.47 1pns n LYS 14 Cb 0.71 -2.09 -0.04 0.00 0.02 0.00 0.00 35.03 33.63 1pns n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pns h ARG 15 N 0.00 0.01 -0.25 1.64 2.47 -1.82 0.17 114.38 116.60 1pns h ARG 15 Ca 0.72 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.44 1pns h ARG 15 Cb 2.03 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.33 1pns h ARG 15 CO -0.58 0.00 0.15 1.25 0.56 0.00 0.00 179.97 181.35 1pns h HIS 16 N 0.01 0.34 -0.91 3.04 2.76 1.00 0.27 115.15 121.65 1pns h HIS 16 Ca 0.07 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.49 1pns h HIS 16 Cb 0.10 -0.11 -0.14 0.00 1.55 0.00 0.00 27.41 28.81 1pns h HIS 16 CO -0.18 0.27 0.35 -0.09 -1.30 0.00 0.00 177.93 176.98 1pns h ARG 17 N 0.31 0.27 0.04 5.26 2.43 -0.50 0.47 114.38 122.64 1pns h ARG 17 Ca 0.09 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.99 1pns h ARG 17 Cb 0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1pns h ARG 17 CO -0.02 0.18 -1.28 1.96 -1.51 0.00 0.00 179.97 179.30 1pns h GLN 18 N 0.28 0.07 -0.55 0.20 4.20 0.00 -3.31 115.11 116.01 1pns h GLN 18 Ca 0.60 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 59.24 1pns h GLN 18 Cb 1.24 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 1pns h GLN 18 CO -0.62 0.93 0.26 0.66 -0.67 0.00 0.00 178.83 179.39 1pns h SER 19 N 0.02 0.34 -0.96 1.46 4.64 0.17 -1.47 113.55 117.76 1pns h SER 19 Ca -0.13 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1pns h SER 19 Cb 1.89 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.90 1pns h SER 19 CO 0.13 0.23 0.61 -0.07 -0.87 0.00 0.00 176.83 176.86 1pns h LEU 20 N 0.49 0.98 0.77 5.97 3.38 -1.43 0.39 115.31 125.86 1pns h LEU 20 Ca 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1pns h LEU 20 Cb 0.20 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pns h LEU 20 CO -0.20 0.63 -0.37 0.11 0.09 0.00 0.00 178.44 178.71 1pns h LYS 21 N 1.12 -0.99 -0.81 1.13 1.57 -1.39 -1.51 116.57 115.70 1pns h LYS 21 Ca 0.41 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.43 1pns h LYS 21 Cb 0.14 0.23 -0.11 0.00 0.08 0.00 0.00 32.23 32.57 1pns h LYS 21 CO -0.17 -0.65 0.30 0.00 -0.57 0.00 0.00 179.45 178.36 1pns h ARG 22 N -1.23 0.37 -0.16 3.15 3.08 -1.07 0.59 114.38 119.12 1pns h ARG 22 Ca -0.11 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1pns h ARG 22 Cb 0.80 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1pns h ARG 22 CO 0.17 0.25 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.05 1pns h ARG 23 N 0.38 -0.20 -0.73 0.04 2.43 -0.10 0.18 114.38 116.37 1pns h ARG 23 Ca 0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.60 1pns h ARG 23 Cb 0.81 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1pns h ARG 23 CO -0.48 -0.13 0.24 1.25 -1.51 0.00 0.00 179.97 179.34 1pns h LEU 24 N -0.21 1.05 -0.59 3.80 5.85 0.74 -0.50 115.31 125.45 1pns h LEU 24 Ca 0.11 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1pns h LEU 24 Cb 0.36 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1pns h LEU 24 CO -0.28 0.96 0.22 -0.09 -0.34 0.00 0.00 178.44 178.91 1pns h ARG 25 N 1.08 0.89 0.63 1.25 9.65 0.81 -2.45 114.38 126.25 1pns h ARG 25 Ca 0.24 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1pns h ARG 25 Cb 0.28 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1pns h ARG 25 CO -0.01 0.78 -0.30 -0.91 2.80 0.00 0.00 179.97 182.32 1pns h ASN 26 N 0.82 -0.71 -0.90 -3.80 2.35 -0.44 -2.85 115.58 110.05 1pns h ASN 26 Ca 0.19 0.02 0.33 0.00 -0.55 0.00 0.00 56.30 56.30 1pns h ASN 26 Cb 0.23 0.18 -0.16 0.00 0.05 0.00 0.00 38.32 38.62 1pns h ASN 26 CO -0.01 -0.38 0.30 1.17 -1.65 0.00 0.00 177.43 176.86 1pns n LYS 27 N -5.00 -0.06 0.04 0.81 4.81 -0.22 0.84 118.16 119.39 1pns n LYS 27 Ca -0.10 1.28 -0.05 0.00 -0.87 0.00 0.00 58.31 58.57 1pns n LYS 27 Cb 0.33 -2.19 0.15 0.00 0.02 0.00 0.00 35.03 33.34 1pns n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pns h ALA 28 N 1.79 0.95 -0.02 3.14 0.00 -1.37 -2.40 119.26 121.35 1pns h ALA 28 Ca 0.68 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pns h ALA 28 Cb 1.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1pns h ALA 28 CO -0.75 0.63 -0.02 0.87 0.00 0.00 0.00 179.25 179.98 1pns h LYS 29 N 0.33 0.05 -0.21 0.00 1.57 0.68 -3.17 116.57 115.82 1pns h LYS 29 Ca 0.03 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1pns h LYS 29 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1pns h LYS 29 CO 0.07 0.51 0.09 0.87 -0.57 0.00 0.00 179.45 180.42 1pns h LYS 30 N -0.42 0.20 -0.78 3.15 1.57 -1.36 -1.60 116.57 117.34 1pns h LYS 30 Ca 0.00 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1pns h LYS 30 Cb 0.50 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1pns h LYS 30 CO 0.00 0.13 0.51 0.66 -0.57 0.00 0.00 179.45 180.18 1pns h SER 31 N 0.20 0.69 -0.30 0.86 4.64 -1.52 0.13 113.55 118.26 1pns h SER 31 Ca 0.09 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1pns h SER 31 Cb 0.04 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1pns h SER 31 CO -0.07 0.43 0.12 0.00 -0.87 0.00 0.00 176.83 176.43 1pns h ALA 32 N 1.59 0.38 0.22 5.18 0.00 -1.41 -1.23 119.26 123.99 1pns h ALA 32 Ca 0.35 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pns h ALA 32 Cb 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1pns h ALA 32 CO -0.13 -0.01 -0.44 0.82 0.00 0.00 0.00 179.25 179.49 1pns h ILE 33 N 0.33 0.12 -0.15 0.00 2.04 0.07 -1.46 117.51 118.45 1pns h ILE 33 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1pns h ILE 33 Cb 0.19 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1pns h ILE 33 CO -0.01 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.13 1pns h LYS 34 N -0.75 -0.13 -0.43 2.37 1.57 -0.76 0.06 116.57 118.51 1pns h LYS 34 Ca -0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1pns h LYS 34 Cb 0.73 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.98 1pns h LYS 34 CO -0.20 -0.08 -0.16 1.15 -0.57 0.00 0.00 179.45 179.59 1pns h THR 35 N -0.13 0.47 -0.60 -0.16 2.02 -1.00 -1.07 112.91 112.44 1pns h THR 35 Ca 0.10 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1pns h THR 35 Cb 0.27 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1pns h THR 35 CO -0.23 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.66 1pns h LEU 36 N -0.06 0.98 0.11 2.58 3.38 -0.93 -0.84 115.31 120.52 1pns h LEU 36 Ca 0.21 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pns h LEU 36 Cb 0.38 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1pns h LEU 36 CO -0.48 1.00 -0.32 0.28 0.09 0.00 0.00 178.44 179.02 1pns h SER 37 N 0.92 -0.93 0.53 -0.43 0.02 0.10 0.18 113.55 113.94 1pns h SER 37 Ca 0.18 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1pns h SER 37 Cb 0.46 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1pns h SER 37 CO 0.02 -0.41 -0.32 0.11 -1.14 0.00 0.00 176.83 175.09 1pns h LYS 38 N -0.54 -0.77 -0.32 3.45 1.57 -1.23 0.56 116.57 119.29 1pns h LYS 38 Ca 0.03 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1pns h LYS 38 Cb 0.57 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1pns h LYS 38 CO -0.20 -0.51 -0.12 1.17 -0.57 0.00 0.00 179.45 179.23 1pns n LYS 39 N -4.37 -0.07 0.19 3.15 0.00 -0.33 0.12 118.16 116.86 1pns n LYS 39 Ca -0.10 0.50 -0.12 0.00 0.00 0.00 0.00 58.31 58.59 1pns n LYS 39 Cb 0.33 -0.74 -0.07 0.00 0.00 0.00 0.00 35.03 34.56 1pns n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pns h ALA 40 N 0.48 -0.54 -0.90 3.14 0.00 -0.22 -2.49 119.26 118.73 1pns h ALA 40 Ca 0.12 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.06 1pns h ALA 40 Cb 0.20 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1pns h ALA 40 CO -0.32 -0.58 0.42 0.28 0.00 0.00 0.00 179.25 179.05 1pns h VAL 41 N -1.00 0.52 0.00 0.00 2.07 0.33 0.46 116.25 118.63 1pns h VAL 41 Ca -0.06 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1pns h VAL 41 Cb 0.54 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1pns h VAL 41 CO 0.09 0.08 -0.34 -0.61 0.02 0.00 0.00 177.57 176.82 1pns h GLN 42 N 0.45 0.00 -0.03 1.57 -0.00 0.49 0.36 115.11 117.95 1pns h GLN 42 Ca 0.55 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 59.03 1pns h GLN 42 Cb 1.00 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.50 1pns h GLN 42 CO -0.50 0.34 -0.64 -0.07 0.00 0.00 0.00 178.83 177.96 1pns h LEU 43 N 0.00 0.62 -0.59 -2.39 3.38 0.32 -2.01 115.31 114.63 1pns h LEU 43 Ca -0.00 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1pns h LEU 43 Cb 0.68 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1pns h LEU 43 CO 0.04 1.25 0.30 0.00 0.09 0.00 0.00 178.44 180.13 1pns h ALA 44 N 0.38 0.76 -0.43 1.53 0.00 -0.95 -2.07 119.26 118.47 1pns h ALA 44 Ca -0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pns h ALA 44 Cb 1.32 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1pns h ALA 44 CO 0.13 0.31 -0.37 0.37 0.00 0.00 0.00 179.25 179.69 1pns h GLN 45 N 0.81 -0.13 0.00 0.00 -0.00 -0.17 0.68 115.11 116.29 1pns h GLN 45 Ca 0.21 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1pns h GLN 45 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1pns h GLN 45 CO -0.03 -0.09 0.00 0.39 0.00 0.00 0.00 178.83 179.10 1pns n GLU 46 N -4.42 0.37 -0.42 1.69 1.02 -0.77 -4.84 120.64 113.27 1pns n GLU 46 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1pns n GLU 46 Cb 0.19 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1pns n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pns n GLY 47 N -0.19 2.15 3.55 0.62 0.00 0.24 -4.98 105.19 106.58 1pns n GLY 47 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1pns n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pns s LYS 48 N -0.00 2.74 0.00 1.61 1.02 -0.81 -4.76 119.74 119.54 1pns s LYS 48 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1pns s LYS 48 Cb 0.00 -4.66 0.00 0.00 -0.52 0.00 0.00 37.83 32.65 1pns s LYS 48 CO 0.00 -2.84 0.47 0.00 -0.92 0.00 0.00 175.35 172.06 1pns n ALA 49 N 12.49 0.00 -0.36 5.17 0.00 -1.26 -2.44 120.51 134.11 1pns n ALA 49 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1pns n ALA 49 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1pns n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pns n GLU 50 N -0.75 0.00 0.22 0.00 1.02 -1.26 -1.23 120.64 118.64 1pns n GLU 50 Ca 0.00 0.55 0.16 0.00 -0.02 0.00 0.00 57.16 57.85 1pns n GLU 50 Cb 0.00 -0.91 0.83 0.00 -0.02 0.00 0.00 31.44 31.33 1pns n GLU 50 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1pns h GLU 51 N 0.00 0.00 -0.33 3.49 4.11 -1.99 -0.09 114.58 119.77 1pns h GLU 51 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1pns h GLU 51 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pns h GLU 51 CO 0.00 0.00 0.04 0.00 0.07 0.00 0.00 179.01 179.12 1pns h ALA 52 N 1.84 0.44 -0.02 1.06 0.00 -0.82 -1.97 119.26 119.78 1pns h ALA 52 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pns h ALA 52 Cb 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pns h ALA 52 CO -0.00 0.16 -0.04 -0.07 0.00 0.00 0.00 179.25 179.30 1pns h LEU 53 N 0.38 0.07 -0.83 0.00 3.38 -0.51 -1.78 115.31 116.03 1pns h LEU 53 Ca 0.10 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.69 1pns h LEU 53 Cb 0.37 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.95 1pns h LEU 53 CO 0.01 0.60 -0.23 0.11 0.09 0.00 0.00 178.44 179.02 1pns h LYS 54 N -0.46 -0.01 -0.28 1.13 1.57 -1.04 0.42 116.57 117.90 1pns h LYS 54 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1pns h LYS 54 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1pns h LYS 54 CO 0.01 -0.01 -0.11 0.82 -0.57 0.00 0.00 179.45 179.59 1pns h ILE 55 N -0.01 1.29 -0.58 1.86 2.04 -1.39 -3.11 117.51 117.61 1pns h ILE 55 Ca 0.39 -1.17 0.12 0.00 1.00 0.00 0.00 64.86 65.19 1pns h ILE 55 Cb 0.61 1.46 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 1pns h ILE 55 CO -0.86 0.37 -0.17 -0.03 0.00 0.00 0.00 178.15 177.47 1pns h MET 56 N 0.32 -0.02 -0.96 2.37 4.05 0.62 0.10 114.93 121.41 1pns h MET 56 Ca 0.07 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.65 1pns h MET 56 Cb 0.61 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.32 1pns h MET 56 CO 0.04 -0.02 0.57 0.00 0.23 0.00 0.00 176.91 177.73 1pns h ARG 57 N -0.02 0.75 0.05 0.39 -0.00 -0.73 0.46 114.38 115.29 1pns h ARG 57 Ca 0.28 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1pns h ARG 57 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.25 1pns h ARG 57 CO -0.61 0.50 -0.02 0.87 0.00 0.00 0.00 179.97 180.70 1pns h LYS 58 N 0.78 -0.06 -0.19 0.04 1.57 -0.82 0.31 116.57 118.19 1pns h LYS 58 Ca 0.53 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.37 1pns h LYS 58 Cb 0.74 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 1pns h LYS 58 CO -0.35 0.08 -0.28 0.00 -0.57 0.00 0.00 179.45 178.32 1pns h ALA 59 N 0.75 -0.25 -0.67 3.86 0.00 0.17 0.27 119.26 123.39 1pns h ALA 59 Ca -0.01 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1pns h ALA 59 Cb 0.17 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1pns h ALA 59 CO 0.01 -0.73 0.10 1.49 0.00 0.00 0.00 179.25 180.12 1pns h GLU 60 N -0.32 0.20 0.76 0.00 4.81 0.15 -0.83 114.58 119.36 1pns h GLU 60 Ca 0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1pns h GLU 60 Cb 0.50 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1pns h GLU 60 CO -0.37 0.13 -0.37 1.03 -0.73 0.00 0.00 179.01 178.70 1pns h SER 61 N 0.20 -0.87 -0.90 1.04 0.87 0.13 -1.84 113.55 112.19 1pns h SER 61 Ca 0.37 0.02 0.17 0.00 -1.23 0.00 0.00 61.79 61.12 1pns h SER 61 Cb 0.61 0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 62.69 1pns h SER 61 CO -0.51 -0.59 0.47 -0.07 -0.53 0.00 0.00 176.83 175.60 1pns h LEU 62 N -1.08 0.56 0.54 2.23 3.38 -0.20 -0.56 115.31 120.17 1pns h LEU 62 Ca -0.10 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1pns h LEU 62 Cb 0.80 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1pns h LEU 62 CO 0.17 0.19 -0.27 0.40 0.09 0.00 0.00 178.44 179.03 1pns h ILE 63 N 0.62 0.45 0.00 1.22 2.04 -1.00 0.37 117.51 121.21 1pns h ILE 63 Ca 0.51 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.37 1pns h ILE 63 Cb 0.79 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1pns h ILE 63 CO -0.40 0.00 -0.01 0.44 0.00 0.00 0.00 178.15 178.18 1pns h ASP 64 N -0.74 0.00 0.47 1.72 3.32 -0.50 -0.03 116.42 120.66 1pns h ASP 64 Ca -0.07 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.75 1pns h ASP 64 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pns h ASP 64 CO 0.11 0.01 -1.00 0.11 -1.72 0.00 0.00 179.24 176.75 1pns h LYS 65 N 0.00 0.32 -0.39 3.56 1.57 -0.77 -2.32 116.57 118.54 1pns h LYS 65 Ca -0.00 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1pns h LYS 65 Cb 0.03 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1pns h LYS 65 CO 0.00 1.10 0.16 0.00 -0.57 0.00 0.00 179.45 180.15 1pns h ALA 66 N 0.75 1.55 -0.00 3.86 0.00 0.15 0.89 119.26 126.47 1pns h ALA 66 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pns h ALA 66 Cb 1.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1pns h ALA 66 CO 0.17 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 1pns n ALA 67 N -2.47 2.46 0.31 0.00 0.00 -0.46 -2.37 120.51 117.98 1pns n ALA 67 Ca 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1pns n ALA 67 Cb 0.14 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1pns n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pns h LYS 68 N 0.03 -0.77 0.00 0.00 1.63 -0.25 -3.39 116.57 113.82 1pns h LYS 68 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1pns h LYS 68 Cb 0.42 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1pns h LYS 68 CO 0.00 -0.51 0.00 0.41 -3.45 0.00 0.00 179.45 175.90 1pns n GLY 69 N -0.82 -0.03 2.25 5.01 0.00 -1.22 -4.95 105.19 105.43 1pns n GLY 69 Ca -0.10 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 1pns n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pns n SER 70 N -1.60 6.62 0.00 1.61 3.41 -1.26 -4.36 113.62 118.03 1pns n SER 70 Ca 0.00 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1pns n SER 70 Cb 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1pns n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1pns n THR 71 N 0.46 0.00 0.19 6.66 -1.04 -1.00 -4.75 114.28 114.80 1pns n THR 71 Ca 0.42 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.33 1pns n THR 71 Cb 0.56 -0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.70 1pns n THR 71 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1pns h LEU 72 N 0.00 -0.47 -0.47 -4.42 3.38 -1.73 -3.49 115.31 108.12 1pns h LEU 72 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pns h LEU 72 Cb 0.00 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pns h LEU 72 CO 0.00 -0.04 -0.47 1.41 0.09 0.00 0.00 178.44 179.43 1pns n HIS 73 N -5.15 -2.20 -4.10 1.13 8.25 -1.25 -4.66 115.22 107.23 1pns n HIS 73 Ca -0.08 1.18 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 1pns n HIS 73 Cb 0.25 -1.93 0.00 0.00 1.12 0.00 0.00 29.99 29.43 1pns n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1pns n LYS 74 N -1.44 0.00 0.00 -0.41 4.76 -1.26 -3.19 118.16 116.62 1pns n LYS 74 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1pns n LYS 74 Cb 0.09 0.00 0.64 0.00 -1.84 0.00 0.00 35.03 33.91 1pns n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pns n ASN 75 N 3.46 0.32 -0.25 4.39 3.02 -1.26 -3.21 115.26 121.73 1pns n ASN 75 Ca 0.00 -0.39 -0.03 0.00 -0.03 0.00 0.00 54.58 54.13 1pns n ASN 75 Cb 0.00 -0.14 0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1pns n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pns h ALA 76 N 3.50 0.92 -0.13 5.41 0.00 -1.81 0.40 119.26 127.55 1pns h ALA 76 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pns h ALA 76 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pns h ALA 76 CO 0.00 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.46 1pns h ALA 77 N 1.31 0.18 -0.17 0.00 0.00 -1.72 -2.60 119.26 116.26 1pns h ALA 77 Ca 0.29 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1pns h ALA 77 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pns h ALA 77 CO -0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 179.25 178.84 1pns h ALA 78 N 0.82 0.03 -0.33 0.00 0.00 -1.45 -1.52 119.26 116.81 1pns h ALA 78 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1pns h ALA 78 Cb 0.27 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1pns h ALA 78 CO 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 179.25 178.59 1pns h ARG 79 N -0.11 -0.04 -0.17 0.00 3.08 -0.21 -1.50 114.38 115.43 1pns h ARG 79 Ca 0.10 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1pns h ARG 79 Cb 0.25 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1pns h ARG 79 CO -0.23 -0.03 -0.18 0.00 -1.07 0.00 0.00 179.97 178.46 1pns h ARG 80 N -0.05 -0.20 0.30 0.04 2.47 -1.03 -0.85 114.38 115.07 1pns h ARG 80 Ca 0.16 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1pns h ARG 80 Cb 0.30 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1pns h ARG 80 CO -0.37 -0.13 -0.20 0.87 0.56 0.00 0.00 179.97 180.70 1pns h LYS 81 N -0.20 -0.48 0.16 0.04 1.57 -0.84 -1.55 116.57 115.28 1pns h LYS 81 Ca 0.11 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1pns h LYS 81 Cb 0.37 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1pns h LYS 81 CO -0.29 -0.32 -0.19 0.66 -0.57 0.00 0.00 179.45 178.74 1pns h SER 82 N -0.49 -0.52 -0.23 0.86 4.64 -1.12 0.24 113.55 116.92 1pns h SER 82 Ca -0.03 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1pns h SER 82 Cb 0.42 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1pns h SER 82 CO 0.02 -0.28 0.28 0.03 -0.87 0.00 0.00 176.83 176.01 1pns h ARG 83 N -0.40 0.00 0.00 4.77 3.08 -1.12 0.12 114.38 120.84 1pns h ARG 83 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1pns h ARG 83 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pns h ARG 83 CO -0.07 0.00 -0.15 1.25 -1.07 0.00 0.00 179.97 179.93 1pns h LEU 84 N 0.00 0.00 -1.89 3.04 6.46 -0.13 -2.87 115.31 119.92 1pns h LEU 84 Ca 0.11 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1pns h LEU 84 Cb 0.67 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1pns h LEU 84 CO -0.00 0.59 0.17 0.24 -0.62 0.00 0.00 178.44 178.82 1pns h MET 85 N -1.00 0.14 0.00 1.25 2.86 -0.40 0.00 114.93 117.78 1pns h MET 85 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pns h MET 85 Cb 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1pns h MET 85 CO -0.00 0.09 0.00 -2.13 1.06 0.00 0.00 176.91 175.93 1pns n ARG 86 N -4.49 0.00 -0.32 1.72 0.63 0.02 -1.56 116.66 112.66 1pns n ARG 86 Ca 0.02 0.33 0.16 0.00 -0.92 0.00 0.00 57.85 57.44 1pns n ARG 86 Cb 0.22 -1.16 0.31 0.00 0.45 0.00 0.00 32.46 32.28 1pns n ARG 86 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1pns n LYS 87 N -1.48 -0.07 0.00 -0.14 5.02 -1.08 -1.23 118.16 119.17 1pns n LYS 87 Ca 0.00 1.37 -0.12 0.00 -2.02 0.00 0.00 58.31 57.54 1pns n LYS 87 Cb 0.00 -2.21 -0.08 0.00 -0.02 0.00 0.00 35.03 32.71 1pns n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pns h VAL 88 N 0.00 1.21 -0.69 -0.18 2.07 -1.02 -1.66 116.25 115.98 1pns h VAL 88 Ca 0.59 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1pns h VAL 88 Cb 1.28 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1pns h VAL 88 CO -0.85 0.17 0.25 -0.09 0.02 0.00 0.00 177.57 177.07 1pns h ARG 89 N -0.22 1.03 0.44 1.57 2.43 -0.12 -1.85 114.38 117.66 1pns h ARG 89 Ca 0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1pns h ARG 89 Cb 0.27 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1pns h ARG 89 CO 0.00 0.85 -0.21 1.96 -1.51 0.00 0.00 179.97 181.06 1pns h GLN 90 N 1.00 -0.57 -0.34 0.20 4.20 -1.33 -2.60 115.11 115.67 1pns h GLN 90 Ca 0.23 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.08 1pns h GLN 90 Cb 0.23 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1pns h GLN 90 CO -0.02 -0.26 0.38 -0.07 -0.67 0.00 0.00 178.83 178.19 1pns h LEU 91 N -0.89 0.00 0.00 1.46 3.38 -1.27 0.99 115.31 118.98 1pns h LEU 91 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pns h LEU 91 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1pns h LEU 91 CO 0.10 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.81 1pns n LEU 92 N -3.72 0.00 -4.51 1.67 4.77 -0.70 -4.16 117.00 110.35 1pns n LEU 92 Ca 0.06 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 1pns n LEU 92 Cb 0.53 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1pns n LEU 92 CO 0.27 -0.10 1.52 -1.61 -1.33 0.00 0.00 177.39 176.15 1pns s GLU 93 N -2.59 3.93 0.00 3.23 0.41 0.34 -0.85 118.70 123.17 1pns s GLU 93 Ca 0.19 -2.11 0.00 0.00 -0.41 0.00 0.00 54.97 52.64 1pns s GLU 93 Cb 0.14 -5.22 0.00 0.00 -1.78 0.00 0.00 34.13 27.27 1pns s GLU 93 CO 0.31 -1.97 0.68 0.00 -0.49 0.00 0.00 175.26 173.79 1pns n ALA 94 N 7.00 2.43 -0.81 5.21 0.00 -1.26 -4.89 120.51 128.18 1pns n ALA 94 Ca 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pns n ALA 94 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1pns n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pns n ALA 95 N 0.00 0.00 -1.00 0.00 0.00 -1.25 -4.99 120.51 113.27 1pns n ALA 95 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1pns n ALA 95 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1pns n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pns n GLY 96 N -0.86 -2.99 2.00 0.00 0.00 -0.03 -5.02 105.19 98.29 1pns n GLY 96 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1pns n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pns n ALA 97 N -0.62 -3.12 -1.55 4.61 0.00 -1.26 -4.76 120.51 113.81 1pns n ALA 97 Ca 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1pns n ALA 97 Cb 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 1pns n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pns n PRO 98 N -0.01 0.64 0.00 0.00 -0.04 -1.26 -4.86 135.00 129.48 1pns n PRO 98 Ca 0.02 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1pns n PRO 98 Cb 0.07 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 1pns n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pns n LEU 99 N 16.23 0.00 -0.05 1.53 4.77 -1.26 -3.14 117.00 135.08 1pns n LEU 99 Ca 0.46 0.16 0.24 0.00 -0.03 0.00 0.00 56.01 56.85 1pns n LEU 99 Cb 0.42 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.13 1pns n LEU 99 CO 0.67 0.00 1.22 0.40 -1.33 0.00 0.00 177.39 178.35 1pns h ILE 100 N 0.00 0.20 -3.35 -0.08 2.04 -1.89 -3.43 117.51 111.00 1pns h ILE 100 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pns h ILE 100 Cb 0.00 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1pns h ILE 100 CO 0.00 0.00 -0.02 0.61 0.00 0.00 0.00 178.15 178.74 1pns n GLY 101 N -1.59 -0.19 0.00 5.37 0.00 -1.19 -4.83 105.19 102.76 1pns n GLY 101 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1pns n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pns n GLY 102 N -0.25 -0.40 2.47 -0.02 0.00 -1.26 -2.57 105.19 103.16 1pns n GLY 102 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1pns n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pns n GLY 103 N 0.00 2.97 3.09 -0.02 0.00 -1.26 -4.58 105.19 105.38 1pns n GLY 103 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1pns n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pns s LEU 104 N 0.08 -1.37 -0.64 0.99 1.43 -1.06 -4.92 118.68 113.18 1pns s LEU 104 Ca 0.42 0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.47 1pns s LEU 104 Cb 0.13 1.83 -0.03 0.00 0.03 0.00 0.00 46.19 48.15 1pns s LEU 104 CO -0.03 -0.30 1.96 -0.55 0.23 0.00 0.00 176.35 177.66 1pns s SER 105 N 2.76 5.11 0.00 2.29 0.15 -1.26 -4.80 113.70 117.95 1pns s SER 105 Ca 0.12 0.28 0.20 0.00 0.70 0.00 0.00 55.95 57.25 1pns s SER 105 Cb -0.12 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 62.86 1pns s SER 105 CO -0.25 -2.54 1.58 0.00 1.20 0.00 0.00 173.24 173.23