#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s ARG 3 N 0.00 4.06 -0.91 0.54 3.52 -1.26 -4.94 118.95 119.96 3dll s ARG 3 Ca 0.00 1.77 -0.05 0.00 -0.13 0.00 0.00 55.73 57.32 3dll s ARG 3 Cb 0.00 -3.92 0.23 0.00 -1.56 0.00 0.00 34.95 29.70 3dll s ARG 3 CO 0.00 -0.95 0.83 0.00 -0.81 0.00 0.00 175.30 174.36 3dll s ALA 4 N 4.22 4.29 0.20 6.12 0.00 -1.26 -5.07 121.76 130.26 3dll s ALA 4 Ca 0.65 -3.73 -0.29 0.00 0.00 0.00 0.00 51.96 48.60 3dll s ALA 4 Cb -0.25 -3.07 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 3dll s ALA 4 CO 0.24 -2.17 0.66 1.63 0.00 0.00 0.00 175.76 176.11 3dll n LYS 5 N 2.72 0.27 0.00 0.00 5.02 -1.26 -4.67 118.16 120.24 3dll n LYS 5 Ca 0.20 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3dll n LYS 5 Cb 0.39 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3dll n LYS 5 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dll n THR 6 N 0.17 0.06 -1.52 -0.18 -2.24 -1.26 -4.80 114.28 104.51 3dll n THR 6 Ca 0.17 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.57 3dll n THR 6 Cb 0.25 -0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.21 3dll n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dll n GLY 7 N 0.30 -0.94 1.74 3.38 0.00 -1.26 -3.05 105.19 105.36 3dll n GLY 7 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3dll n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dll n ILE 8 N -1.81 0.00 0.00 -0.61 -5.35 -1.26 -4.66 119.36 105.67 3dll n ILE 8 Ca 0.13 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3dll n ILE 8 Cb 0.48 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 3dll n ILE 8 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3dll n VAL 9 N -1.04 0.00 0.06 7.28 0.31 -1.17 -4.32 118.33 119.45 3dll n VAL 9 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.09 3dll n VAL 9 Cb 0.16 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 3dll n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3dll h ARG 10 N 0.00 0.51 0.00 5.55 2.43 -1.83 -2.85 114.38 118.19 3dll h ARG 10 Ca 0.00 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 3dll h ARG 10 Cb 0.81 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3dll h ARG 10 CO 0.00 1.29 0.00 -2.13 -1.51 0.00 0.00 179.97 177.62 3dll n ARG 11 N -3.97 0.00 -0.16 0.20 0.63 -1.26 -0.83 116.66 111.26 3dll n ARG 11 Ca -0.13 0.70 0.29 0.00 -0.92 0.00 0.00 57.85 57.79 3dll n ARG 11 Cb 0.87 -1.35 0.66 0.00 0.45 0.00 0.00 32.46 33.09 3dll n ARG 11 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dll h ARG 12 N 0.00 0.00 0.01 -0.14 3.08 -1.75 0.23 114.38 115.81 3dll h ARG 12 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dll h ARG 12 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dll h ARG 12 CO 0.00 0.00 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.80 3dll h ARG 13 N 0.00 -0.02 0.19 0.04 2.43 -0.97 -3.27 114.38 112.78 3dll h ARG 13 Ca 0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3dll h ARG 13 Cb 2.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.70 3dll h ARG 13 CO -0.00 0.76 -0.15 0.45 -1.51 0.00 0.00 179.97 179.52 3dll h HIS 14 N -0.88 -0.40 -1.07 2.20 3.86 0.14 -2.60 115.15 116.41 3dll h HIS 14 Ca -0.00 -0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.55 3dll h HIS 14 Cb 0.79 0.15 -0.14 0.00 1.06 0.00 0.00 27.41 29.27 3dll h HIS 14 CO 0.21 -0.24 0.63 0.87 0.86 0.00 0.00 177.93 180.27 3dll h LYS 15 N -0.36 0.26 -0.79 2.45 1.79 -1.15 1.20 116.57 119.98 3dll h LYS 15 Ca -0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3dll h LYS 15 Cb 0.32 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 3dll h LYS 15 CO -0.01 0.17 0.48 0.87 -1.08 0.00 0.00 179.45 179.88 3dll h LYS 16 N 0.27 1.08 0.12 3.15 1.57 -1.52 0.11 116.57 121.35 3dll h LYS 16 Ca 0.74 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.42 3dll h LYS 16 Cb 1.86 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3dll h LYS 16 CO -0.54 0.76 -0.06 0.28 -0.57 0.00 0.00 179.45 179.32 3dll h VAL 17 N 1.09 1.06 -0.76 0.50 2.07 0.14 0.35 116.25 120.70 3dll h VAL 17 Ca 0.28 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 67.11 3dll h VAL 17 Cb -0.04 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3dll h VAL 17 CO -0.05 0.19 0.34 -0.07 0.02 0.00 0.00 177.57 178.00 3dll h LEU 18 N -0.55 0.37 0.10 2.57 -0.00 -0.66 0.32 115.31 117.45 3dll h LEU 18 Ca -0.02 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3dll h LEU 18 Cb 0.44 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 3dll h LEU 18 CO 0.03 0.16 -0.06 0.50 -0.00 0.00 0.00 178.44 179.06 3dll h LYS 19 N 0.51 -0.15 -1.07 1.13 3.64 -0.60 0.07 116.57 120.09 3dll h LYS 19 Ca 0.41 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 60.11 3dll h LYS 19 Cb 0.58 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 3dll h LYS 19 CO -0.37 -0.10 0.66 0.00 -2.27 0.00 0.00 179.45 177.37 3dll h ARG 20 N -0.16 0.34 -1.64 1.90 3.08 0.20 0.93 114.38 119.02 3dll h ARG 20 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3dll h ARG 20 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dll h ARG 20 CO 0.01 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 3dll n ALA 21 N -2.39 2.37 0.00 0.04 0.00 0.90 -4.86 120.51 116.57 3dll n ALA 21 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3dll n ALA 21 Cb 0.99 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3dll n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dll n LYS 22 N 1.08 0.00 -2.38 0.00 5.02 0.32 -2.64 118.16 119.57 3dll n LYS 22 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3dll n LYS 22 Cb 0.28 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.32 3dll n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dll n GLY 23 N 0.00 4.68 0.00 0.72 0.00 -1.26 -4.96 105.19 104.37 3dll n GLY 23 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3dll n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dll n PHE 24 N -0.57 0.00 -3.70 1.61 3.72 -1.08 -5.00 117.46 112.44 3dll n PHE 24 Ca 0.30 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.58 3dll n PHE 24 Cb 0.85 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.30 3dll n PHE 24 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3dll s TRP 25 N 0.00 -0.58 0.00 1.38 -0.00 -1.26 -4.85 118.94 113.63 3dll s TRP 25 Ca 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.45 3dll s TRP 25 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 33.47 33.70 3dll s TRP 25 CO 0.00 -0.29 0.00 0.41 -0.00 0.00 0.00 176.95 177.07 3dll n GLY 26 N 3.20 3.51 0.18 5.86 0.00 -1.26 -1.88 105.19 114.80 3dll n GLY 26 Ca -0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3dll n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dll h SER 27 N 0.00 0.24 -0.86 1.61 4.64 -1.97 -2.97 113.55 114.23 3dll h SER 27 Ca 0.00 -0.12 0.22 0.00 -0.47 0.00 0.00 61.79 61.42 3dll h SER 27 Cb 0.00 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 61.88 3dll h SER 27 CO 0.00 0.72 0.21 0.03 -0.87 0.00 0.00 176.83 176.93 3dll h ARG 28 N 0.17 0.20 -0.37 4.77 3.08 -1.66 1.22 114.38 121.78 3dll h ARG 28 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dll h ARG 28 Cb 0.99 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3dll h ARG 28 CO 0.08 0.13 0.00 0.45 -1.07 0.00 0.00 179.97 179.56 3dll n SER 29 N -5.23 2.14 0.00 7.04 2.88 -1.12 -3.06 113.62 116.27 3dll n SER 29 Ca 0.20 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 3dll n SER 29 Cb 0.65 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3dll n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3dll n LYS 30 N 0.66 0.42 -3.47 -1.46 4.76 0.21 -4.89 118.16 114.39 3dll n LYS 30 Ca 0.14 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.29 3dll n LYS 30 Cb 0.35 -0.63 -0.04 0.00 -1.84 0.00 0.00 35.03 32.87 3dll n LYS 30 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dll s GLN 31 N -1.27 3.64 -0.01 1.97 -0.21 0.36 -5.01 119.66 119.13 3dll s GLN 31 Ca 0.00 -0.03 -0.24 0.00 0.02 0.00 0.00 55.36 55.11 3dll s GLN 31 Cb 0.00 -2.72 -0.16 0.00 1.00 0.00 0.00 33.01 31.14 3dll s GLN 31 CO 0.00 0.31 1.10 -0.92 -2.12 0.00 0.00 175.29 173.66 3dll h TYR 32 N 2.07 -0.40 0.00 0.91 3.20 -1.90 -2.25 116.97 118.60 3dll h TYR 32 Ca -0.47 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3dll h TYR 32 Cb 1.18 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3dll h TYR 32 CO 0.58 -0.05 0.00 0.54 -1.64 0.00 0.00 178.16 177.59 3dll n ARG 33 N -5.11 0.00 -0.17 1.82 5.12 -1.26 0.15 116.66 117.21 3dll n ARG 33 Ca -0.09 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.79 3dll n ARG 33 Cb 0.27 -0.50 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 3dll n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dll n ASN 34 N 0.00 -0.42 0.00 0.55 3.02 -1.26 0.10 115.26 117.25 3dll n ASN 34 Ca 0.00 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 3dll n ASN 34 Cb 0.00 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3dll n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dll n ALA 35 N -3.60 0.00 -0.34 5.41 0.00 -0.64 0.17 120.51 121.51 3dll n ALA 35 Ca 0.01 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.76 3dll n ALA 35 Cb 0.10 0.10 0.58 0.00 0.00 0.00 0.00 19.45 20.23 3dll n ALA 35 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3dll h PHE 36 N 0.00 0.82 0.36 0.00 3.04 0.55 -1.85 116.94 119.85 3dll h PHE 36 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3dll h PHE 36 Cb 0.00 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.32 3dll h PHE 36 CO 0.00 -0.40 -0.17 0.37 -2.02 0.00 0.00 178.31 176.09 3dll h GLN 37 N 0.07 -0.47 -1.00 1.11 4.15 0.38 -3.14 115.11 116.22 3dll h GLN 37 Ca 0.83 0.03 0.39 0.00 0.77 0.00 0.00 58.65 60.67 3dll h GLN 37 Cb 2.19 0.11 -0.18 0.00 0.21 0.00 0.00 27.48 29.80 3dll h GLN 37 CO -0.71 -0.15 0.47 1.15 -1.93 0.00 0.00 178.83 177.66 3dll h THR 38 N -0.83 0.04 0.38 2.39 2.02 0.26 -1.31 112.91 115.85 3dll h THR 38 Ca -0.05 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3dll h THR 38 Cb 0.53 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3dll h THR 38 CO 0.08 0.01 -0.18 -0.07 0.37 0.00 0.00 175.52 175.72 3dll h LEU 39 N 0.04 -0.43 -1.13 2.58 3.38 -1.49 -2.01 115.31 116.25 3dll h LEU 39 Ca 0.80 -0.01 0.39 0.00 0.09 0.00 0.00 57.88 59.15 3dll h LEU 39 Cb 2.03 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 42.74 3dll h LEU 39 CO -0.77 -0.28 0.65 -0.07 0.09 0.00 0.00 178.44 178.06 3dll h LEU 40 N -0.56 0.37 -0.36 1.67 3.38 -1.29 10.06 115.31 128.58 3dll h LEU 40 Ca -0.05 0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 3dll h LEU 40 Cb 0.42 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3dll h LEU 40 CO 0.09 -0.25 -0.40 0.78 0.09 0.00 0.00 178.44 178.75 3dll h ASN 41 N 0.14 0.97 -0.73 -0.43 2.35 -1.52 -1.86 115.58 114.50 3dll h ASN 41 Ca 0.80 -0.48 0.12 0.00 -0.55 0.00 0.00 56.30 56.19 3dll h ASN 41 Cb 2.14 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 40.19 3dll h ASN 41 CO -0.60 1.25 0.49 0.00 -1.65 0.00 0.00 177.43 176.92 3dll h ALA 42 N 0.75 1.97 -0.91 -0.83 0.00 2.23 -1.41 119.26 121.06 3dll h ALA 42 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dll h ALA 42 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3dll h ALA 42 CO 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3dll n ALA 43 N -2.49 -0.19 -0.34 0.00 0.00 0.25 0.12 120.51 117.85 3dll n ALA 43 Ca 0.13 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.86 3dll n ALA 43 Cb 0.43 0.19 0.49 0.00 0.00 0.00 0.00 19.45 20.56 3dll n ALA 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dll n THR 44 N -1.92 -0.20 -0.00 0.00 -1.04 -0.89 -0.34 114.28 109.89 3dll n THR 44 Ca 0.00 1.35 -0.11 0.00 -2.04 0.00 0.00 64.05 63.25 3dll n THR 44 Cb 0.00 -2.21 -0.09 0.00 -1.82 0.00 0.00 70.33 66.21 3dll n THR 44 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3dll h TYR 45 N 0.00 -0.09 0.19 -1.42 0.05 0.82 -3.21 116.97 113.31 3dll h TYR 45 Ca 0.65 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.42 3dll h TYR 45 Cb 2.05 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 39.81 3dll h TYR 45 CO -0.00 0.47 -0.15 0.93 -1.05 0.00 0.00 178.16 178.35 3dll h GLU 46 N -0.84 -0.32 0.00 4.88 5.08 0.39 -3.11 114.58 120.65 3dll h GLU 46 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3dll h GLU 46 Cb 0.61 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3dll h GLU 46 CO 0.02 -0.22 0.00 0.98 -1.00 0.00 0.00 179.01 178.79 3dll n TYR 47 N -3.23 0.00 0.00 4.33 9.36 -1.00 -1.04 117.16 125.58 3dll n TYR 47 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3dll n TYR 47 Cb 0.15 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 3dll n TYR 47 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3dll n ARG 48 N 0.00 0.00 -0.05 2.98 1.74 -1.21 -0.37 116.66 119.74 3dll n ARG 48 Ca 0.00 0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 3dll n ARG 48 Cb 0.00 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.55 3dll n ARG 48 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dll n ASP 49 N -0.83 2.05 0.03 0.55 9.92 -0.21 -4.08 116.55 123.98 3dll n ASP 49 Ca 0.00 0.15 -0.05 0.00 -0.53 0.00 0.00 54.79 54.36 3dll n ASP 49 Cb 0.26 -0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 39.96 3dll n ASP 49 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3dll h ARG 50 N -0.15 -0.21 -0.79 -1.24 2.43 -0.46 2.24 114.38 116.20 3dll h ARG 50 Ca -0.48 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3dll h ARG 50 Cb 1.88 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 3dll h ARG 50 CO -0.03 -0.14 0.00 2.89 -1.51 0.00 0.00 179.97 181.18 3dll n ARG 51 N -3.34 0.19 0.00 0.20 0.00 -1.24 -1.87 116.66 110.59 3dll n ARG 51 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 3dll n ARG 51 Cb 0.12 -1.21 0.00 0.00 -0.00 0.00 0.00 32.46 31.37 3dll n ARG 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3dll n ASN 52 N 0.59 0.00 0.19 2.89 5.15 0.71 -4.70 115.26 120.10 3dll n ASN 52 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 3dll n ASN 52 Cb 0.06 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 39.59 3dll n ASN 52 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 3dll h LYS 53 N 0.00 0.00 0.04 1.20 2.10 0.43 0.75 116.57 121.09 3dll h LYS 53 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dll h LYS 53 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3dll h LYS 53 CO 0.00 0.00 -0.02 0.87 -2.00 0.00 0.00 179.45 178.30 3dll h LYS 54 N 0.00 -0.05 -0.90 0.07 1.57 -1.78 -2.90 116.57 112.57 3dll h LYS 54 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 3dll h LYS 54 Cb 0.96 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.14 3dll h LYS 54 CO 0.00 0.60 0.30 0.00 -0.57 0.00 0.00 179.45 179.78 3dll h ARG 55 N -0.90 0.23 0.00 3.15 3.08 0.23 -2.01 114.38 118.15 3dll h ARG 55 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dll h ARG 55 Cb 0.68 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3dll h ARG 55 CO 0.01 0.15 0.00 -0.25 -1.07 0.00 0.00 179.97 178.81 3dll n ASP 56 N -5.19 0.00 -0.10 7.04 10.43 -1.01 -1.70 116.55 126.02 3dll n ASP 56 Ca 0.23 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.59 3dll n ASP 56 Cb 0.74 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.71 3dll n ASP 56 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3dll n PHE 57 N 0.00 0.02 -0.30 1.24 3.01 -1.10 0.72 117.46 121.06 3dll n PHE 57 Ca 0.00 0.32 0.10 0.00 1.01 0.00 0.00 57.45 58.88 3dll n PHE 57 Cb 0.00 -0.61 0.22 0.00 -0.01 0.00 0.00 39.48 39.09 3dll n PHE 57 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dll h ARG 58 N 0.00 0.07 0.39 -1.08 3.08 -1.36 0.74 114.38 116.22 3dll h ARG 58 Ca 0.10 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3dll h ARG 58 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3dll h ARG 58 CO -0.26 0.05 -0.29 -0.09 -1.07 0.00 0.00 179.97 178.30 3dll h ARG 59 N 0.07 -0.65 0.18 0.04 2.43 2.60 -2.05 114.38 117.00 3dll h ARG 59 Ca 0.50 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 3dll h ARG 59 Cb 0.96 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3dll h ARG 59 CO -0.79 -0.43 -0.15 1.25 -1.51 0.00 0.00 179.97 178.34 3dll h LEU 60 N -0.68 -0.39 -0.97 3.80 7.12 -0.37 -1.76 115.31 122.06 3dll h LEU 60 Ca -0.03 0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.15 3dll h LEU 60 Cb 0.58 0.13 -0.15 0.00 -0.53 0.00 0.00 40.66 40.69 3dll h LEU 60 CO -0.00 -0.23 -0.41 0.79 -0.13 0.00 0.00 178.44 178.46 3dll n TRP 61 N -5.27 -0.03 0.12 1.25 7.02 0.23 -0.47 117.44 120.29 3dll n TRP 61 Ca -0.08 1.20 -0.14 0.00 -1.02 0.00 0.00 57.50 57.47 3dll n TRP 61 Cb 0.19 -0.83 -0.08 0.00 -2.42 0.00 0.00 31.31 28.18 3dll n TRP 61 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3dll h ILE 62 N 0.00 0.85 -0.92 -0.99 2.04 -1.06 0.19 117.51 117.61 3dll h ILE 62 Ca 0.31 -0.11 0.37 0.00 1.00 0.00 0.00 64.86 66.43 3dll h ILE 62 Cb 0.56 0.92 -0.15 0.00 -0.74 0.00 0.00 36.82 37.41 3dll h ILE 62 CO -0.96 0.03 0.52 0.00 0.00 0.00 0.00 178.15 177.74 3dll n GLN 63 N -5.17 -0.05 -0.04 2.37 6.02 0.39 -0.73 117.38 120.17 3dll n GLN 63 Ca -0.09 1.17 -0.01 0.00 -0.01 0.00 0.00 57.00 58.06 3dll n GLN 63 Cb 0.14 -2.14 -0.00 0.00 1.02 0.00 0.00 30.24 29.26 3dll n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dll h ARG 64 N 0.00 0.00 -1.11 -1.09 3.08 -0.44 -2.34 114.38 112.48 3dll h ARG 64 Ca 0.74 0.00 0.33 0.00 0.07 0.00 0.00 59.98 61.12 3dll h ARG 64 Cb 2.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.03 3dll h ARG 64 CO -0.61 0.00 0.78 -0.89 -1.07 0.00 0.00 179.97 178.18 3dll n ILE 65 N -3.74 -0.04 -0.02 2.04 5.41 0.57 0.41 119.36 124.00 3dll n ILE 65 Ca -0.02 0.96 0.07 0.00 1.00 0.00 0.00 62.75 64.76 3dll n ILE 65 Cb 0.07 -1.58 -0.16 0.00 -0.71 0.00 0.00 39.64 37.26 3dll n ILE 65 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3dll n ASN 66 N -3.36 0.06 0.27 4.38 0.23 0.09 -3.70 115.26 113.24 3dll n ASN 66 Ca 0.26 0.03 0.12 0.00 -0.53 0.00 0.00 54.58 54.46 3dll n ASN 66 Cb 1.16 1.71 0.78 0.00 -2.08 0.00 0.00 39.78 41.34 3dll n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dll h ALA 67 N 1.82 1.54 0.05 -2.53 0.00 0.86 -1.75 119.26 119.26 3dll h ALA 67 Ca -0.09 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 3dll h ALA 67 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3dll h ALA 67 CO 0.01 0.07 -1.43 0.78 0.00 0.00 0.00 179.25 178.68 3dll h GLY 68 N 0.30 0.13 0.25 0.00 0.00 -1.65 -3.01 103.07 99.09 3dll h GLY 68 Ca -0.00 -0.33 0.13 0.00 0.00 0.00 0.00 47.33 47.12 3dll h GLY 68 CO 0.01 0.29 0.31 0.00 0.00 0.00 0.00 176.54 177.14 3dll h ALA 69 N -0.25 1.01 0.00 3.60 0.00 -1.59 1.25 119.26 123.29 3dll h ALA 69 Ca -0.35 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3dll h ALA 69 Cb 1.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3dll h ALA 69 CO -0.08 -0.17 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 3dll h ARG 70 N 0.48 0.00 0.00 0.00 3.08 -1.48 0.50 114.38 116.96 3dll h ARG 70 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3dll h ARG 70 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3dll h ARG 70 CO -0.36 0.22 0.00 -0.11 -1.07 0.00 0.00 179.97 178.65 3dll n LEU 71 N -3.45 0.21 0.00 3.04 7.94 0.43 -2.27 117.00 122.90 3dll n LEU 71 Ca -0.00 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 3dll n LEU 71 Cb 0.40 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.77 3dll n LEU 71 CO 0.33 -0.55 -0.19 1.41 -1.11 0.00 0.00 177.39 177.28 3dll n HIS 72 N -1.77 0.00 0.00 1.96 8.25 -0.66 -5.02 115.22 117.98 3dll n HIS 72 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3dll n HIS 72 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3dll n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dll n GLY 73 N 1.34 0.17 0.00 -1.41 0.00 -0.31 -5.10 105.19 99.87 3dll n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dll n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dll n MET 74 N 0.00 0.00 0.00 1.61 2.81 0.16 -4.90 117.12 116.80 3dll n MET 74 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dll n MET 74 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3dll n MET 74 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dll n ASN 75 N 0.00 0.00 -0.06 7.83 6.94 -1.24 -4.46 115.26 124.26 3dll n ASN 75 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 3dll n ASN 75 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 3dll n ASN 75 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 3dll h TYR 76 N 0.00 -1.07 0.00 -2.53 3.20 -1.84 -0.53 116.97 114.20 3dll h TYR 76 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3dll h TYR 76 Cb 0.00 0.51 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3dll h TYR 76 CO 0.00 -0.43 0.00 0.45 -1.64 0.00 0.00 178.16 176.54 3dll n SER 77 N -5.42 0.00 -0.15 -2.11 2.88 -1.26 -0.20 113.62 107.36 3dll n SER 77 Ca -0.02 0.18 -0.04 0.00 -1.33 0.00 0.00 58.87 57.67 3dll n SER 77 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 3dll n SER 77 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3dll n THR 78 N -0.27 -0.25 0.00 2.46 -1.04 -1.24 -0.76 114.28 113.18 3dll n THR 78 Ca 0.00 1.32 0.00 0.00 -2.04 0.00 0.00 64.05 63.33 3dll n THR 78 Cb 0.00 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 3dll n THR 78 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3dll n PHE 79 N -3.85 0.00 -0.33 -1.42 -0.00 -0.21 -0.53 117.46 111.12 3dll n PHE 79 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 3dll n PHE 79 Cb 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.60 3dll n PHE 79 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3dll n ILE 80 N -0.82 -0.46 0.00 -2.13 2.08 0.73 0.43 119.36 119.18 3dll n ILE 80 Ca 0.00 2.01 0.00 0.00 0.56 0.00 0.00 62.75 65.32 3dll n ILE 80 Cb 0.00 -2.65 0.00 0.00 -0.75 0.00 0.00 39.64 36.24 3dll n ILE 80 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3dll n ASN 81 N -5.25 0.00 -0.42 4.38 5.15 0.06 0.40 115.26 119.57 3dll n ASN 81 Ca 0.08 0.91 0.35 0.00 -0.60 0.00 0.00 54.58 55.31 3dll n ASN 81 Cb 0.34 -0.41 0.65 0.00 -0.53 0.00 0.00 39.78 39.83 3dll n ASN 81 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3dll h GLY 82 N 0.00 0.90 1.26 8.20 0.00 0.46 2.51 103.07 116.40 3dll h GLY 82 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 3dll h GLY 82 CO 0.00 -0.21 -0.60 -2.00 0.00 0.00 0.00 176.54 173.73 3dll h LEU 83 N 0.14 0.86 -0.66 3.11 5.85 0.30 -3.10 115.31 121.82 3dll h LEU 83 Ca 0.72 -0.49 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 3dll h LEU 83 Cb 2.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 3dll h LEU 83 CO -0.27 1.27 -0.39 0.50 -0.34 0.00 0.00 178.44 179.21 3dll h LYS 84 N 0.57 0.60 -1.36 1.25 3.64 2.36 -3.15 116.57 120.49 3dll h LYS 84 Ca -0.00 -0.30 0.45 0.00 -1.27 0.00 0.00 60.65 59.53 3dll h LYS 84 Cb 1.20 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.89 3dll h LYS 84 CO 0.13 0.89 0.88 -0.09 -2.27 0.00 0.00 179.45 178.99 3dll h ARG 85 N 0.50 0.06 -4.41 1.90 9.65 0.14 -3.23 114.38 118.99 3dll h ARG 85 Ca 0.05 -0.00 -0.74 0.00 -1.10 0.00 0.00 59.98 58.19 3dll h ARG 85 Cb 0.90 -0.01 -0.22 0.00 -1.39 0.00 0.00 29.97 29.24 3dll h ARG 85 CO 0.08 0.04 0.27 0.00 2.80 0.00 0.00 179.97 183.15 3dll s ALA 86 N -5.27 3.67 0.18 2.80 0.00 -1.19 -4.84 121.76 117.09 3dll s ALA 86 Ca -0.07 -2.79 0.02 0.00 0.00 0.00 0.00 51.96 49.11 3dll s ALA 86 Cb 0.30 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.89 3dll s ALA 86 CO 0.82 -2.46 0.79 -1.71 0.00 0.00 0.00 175.76 173.20 3dll n ASN 87 N 5.44 0.05 0.18 0.00 4.05 -1.22 0.40 115.26 124.16 3dll n ASN 87 Ca 0.07 0.25 0.05 0.00 0.45 0.00 0.00 54.58 55.40 3dll n ASN 87 Cb 0.46 -0.09 0.50 0.00 1.23 0.00 0.00 39.78 41.88 3dll n ASN 87 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3dll h ILE 88 N 0.00 1.10 -3.28 -1.44 2.10 -1.88 -3.43 117.51 110.68 3dll h ILE 88 Ca 0.00 -0.44 -0.66 0.00 1.08 0.00 0.00 64.86 64.84 3dll h ILE 88 Cb 1.22 1.12 -0.12 0.00 -1.09 0.00 0.00 36.82 37.95 3dll h ILE 88 CO 0.00 0.14 -0.63 -1.81 -1.08 0.00 0.00 178.15 174.77 3dll s ASP 89 N -6.95 5.27 -0.38 2.19 1.01 1.30 -5.00 116.67 114.11 3dll s ASP 89 Ca -0.05 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.26 3dll s ASP 89 Cb 0.16 -1.39 0.30 0.00 1.01 0.00 0.00 42.92 43.00 3dll s ASP 89 CO 0.70 0.24 1.26 -0.11 0.21 0.00 0.00 175.17 177.47 3dll n LEU 90 N 1.02 -1.73 0.07 1.23 0.00 -1.26 -4.91 117.00 111.42 3dll n LEU 90 Ca -0.12 -2.99 -0.06 0.00 0.00 0.00 0.00 56.01 52.84 3dll n LEU 90 Cb 0.52 0.38 -0.03 0.00 0.00 0.00 0.00 43.42 44.29 3dll n LEU 90 CO 0.38 1.71 0.16 0.78 0.00 0.00 0.00 177.39 180.42 3dll h ASN 91 N 1.91 -0.24 0.00 1.96 4.21 -1.98 -3.41 115.58 118.03 3dll h ASN 91 Ca -0.34 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.11 3dll h ASN 91 Cb 1.26 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 3dll h ASN 91 CO -0.08 0.25 0.00 0.54 -1.29 0.00 0.00 177.43 176.85 3dll n ARG 92 N -4.96 0.00 -1.58 0.81 5.12 -1.26 -3.77 116.66 111.02 3dll n ARG 92 Ca -0.04 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 3dll n ARG 92 Cb 0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.41 3dll n ARG 92 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3dll s LYS 93 N 0.00 2.00 0.00 5.56 -2.85 -1.26 -3.14 119.74 120.05 3dll s LYS 93 Ca 0.00 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 3dll s LYS 93 Cb 0.00 -4.63 0.00 0.00 -2.06 0.00 0.00 37.83 31.14 3dll s LYS 93 CO 0.00 -3.54 0.00 0.28 0.10 0.00 0.00 175.35 172.19 3dll n VAL 94 N 8.15 0.00 0.00 1.79 0.31 -1.25 -5.00 118.33 122.34 3dll n VAL 94 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 3dll n VAL 94 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3dll n VAL 94 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3dll n LEU 95 N 0.00 0.00 -0.08 7.52 7.94 -1.19 -2.78 117.00 128.42 3dll n LEU 95 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 3dll n LEU 95 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 3dll n LEU 95 CO 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 177.39 176.42 3dll h ALA 96 N 0.00 0.06 -0.21 1.96 0.00 -1.87 -3.21 119.26 116.00 3dll h ALA 96 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.33 3dll h ALA 96 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dll h ALA 96 CO 0.00 0.18 0.38 -0.44 0.00 0.00 0.00 179.25 179.37 3dll h ASP 97 N -1.00 0.00 0.54 0.00 3.32 -1.92 0.16 116.42 117.53 3dll h ASP 97 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3dll h ASP 97 Cb 1.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3dll h ASP 97 CO -0.05 0.00 -0.26 0.40 -1.72 0.00 0.00 179.24 177.61 3dll h ILE 98 N 0.00 0.04 0.00 0.35 1.08 -1.80 -2.79 117.51 114.39 3dll h ILE 98 Ca 0.10 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 3dll h ILE 98 Cb 0.87 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3dll h ILE 98 CO -0.00 0.01 -0.07 0.00 -0.69 0.00 0.00 178.15 177.40 3dll h ALA 99 N -1.15 1.17 0.13 1.87 0.00 -0.97 0.19 119.26 120.50 3dll h ALA 99 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dll h ALA 99 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dll h ALA 99 CO 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 3dll h ALA 100 N 1.93 -0.18 0.00 0.00 0.00 -0.77 -3.41 119.26 116.83 3dll h ALA 100 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dll h ALA 100 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dll h ALA 100 CO 0.01 -0.33 -0.70 2.89 0.00 0.00 0.00 179.25 181.12 3dll n ARG 101 N -4.94 2.63 -2.79 0.00 1.85 -1.06 -4.77 116.66 107.59 3dll n ARG 101 Ca -0.08 -0.01 -0.30 0.00 -1.00 0.00 0.00 57.85 56.45 3dll n ARG 101 Cb 0.27 -0.87 -0.02 0.00 -1.05 0.00 0.00 32.46 30.78 3dll n ARG 101 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3dll n GLU 102 N -1.37 3.72 -0.34 2.89 4.07 0.66 -4.84 120.64 125.44 3dll n GLU 102 Ca -0.00 -4.74 0.11 0.00 -0.06 0.00 0.00 57.16 52.48 3dll n GLU 102 Cb 0.05 -2.29 0.29 0.00 -0.06 0.00 0.00 31.44 29.44 3dll n GLU 102 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3dll h PRO 103 N 3.20 0.71 -0.95 5.31 0.11 -1.78 0.15 132.00 138.75 3dll h PRO 103 Ca 0.25 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.43 3dll h PRO 103 Cb 0.49 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 31.31 3dll h PRO 103 CO 0.92 0.47 -0.52 0.93 -0.21 0.00 0.00 178.00 179.60 3dll h GLU 104 N 0.73 -0.03 0.00 1.05 5.08 -1.91 0.12 114.58 119.63 3dll h GLU 104 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 3dll h GLU 104 Cb 0.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3dll h GLU 104 CO -0.38 -0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.61 3dll n ALA 105 N -3.31 -0.44 -0.29 3.43 0.00 0.48 -2.92 120.51 117.46 3dll n ALA 105 Ca 0.04 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.74 3dll n ALA 105 Cb 0.31 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.20 3dll n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dll n PHE 106 N -1.92 0.55 0.00 0.00 7.35 -0.84 -0.85 117.46 121.75 3dll n PHE 106 Ca 0.00 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 3dll n PHE 106 Cb 0.00 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 38.87 3dll n PHE 106 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3dll n LYS 107 N -4.15 0.00 -0.25 -4.13 3.00 0.01 -1.09 118.16 111.54 3dll n LYS 107 Ca 0.27 0.15 -0.07 0.00 -0.00 0.00 0.00 58.31 58.66 3dll n LYS 107 Cb 1.01 -0.66 -0.06 0.00 0.00 0.00 0.00 35.03 35.32 3dll n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dll n ALA 108 N -2.34 -0.38 -0.28 3.14 0.00 -0.03 0.75 120.51 121.37 3dll n ALA 108 Ca 0.00 0.51 0.24 0.00 0.00 0.00 0.00 53.44 54.18 3dll n ALA 108 Cb 0.00 0.05 0.40 0.00 0.00 0.00 0.00 19.45 19.90 3dll n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dll n LEU 109 N -4.39 0.13 -0.07 0.00 4.77 -1.05 0.14 117.00 116.52 3dll n LEU 109 Ca 0.01 0.84 -0.07 0.00 -0.03 0.00 0.00 56.01 56.76 3dll n LEU 109 Cb 0.15 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3dll n LEU 109 CO -0.10 -0.91 -0.28 0.58 -1.33 0.00 0.00 177.39 175.36 3dll h VAL 110 N 0.00 0.24 -0.57 4.08 2.07 0.20 -3.06 116.25 119.21 3dll h VAL 110 Ca 0.53 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3dll h VAL 110 Cb 1.68 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 3dll h VAL 110 CO -0.29 0.08 -0.47 -0.78 0.02 0.00 0.00 177.57 176.14 3dll h ASP 111 N -1.00 -1.64 -0.58 0.57 3.58 0.29 0.20 116.42 117.84 3dll h ASP 111 Ca -0.06 0.23 0.11 0.00 0.42 0.00 0.00 57.03 57.73 3dll h ASP 111 Cb 0.57 0.70 -0.11 0.00 1.72 0.00 0.00 39.33 42.21 3dll h ASP 111 CO -0.04 -0.26 -0.27 0.00 -2.88 0.00 0.00 179.24 175.79 3dll h ALA 112 N -0.04 0.11 -0.76 -0.78 0.00 0.60 0.24 119.26 118.63 3dll h ALA 112 Ca 0.09 0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.45 3dll h ALA 112 Cb 0.41 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3dll h ALA 112 CO -0.62 -0.59 0.20 0.45 0.00 0.00 0.00 179.25 178.69 3dll n SER 113 N -5.44 0.08 -0.26 0.00 2.88 0.67 -0.07 113.62 111.49 3dll n SER 113 Ca 0.05 1.28 0.06 0.00 -1.33 0.00 0.00 58.87 58.93 3dll n SER 113 Cb 0.35 -0.54 0.18 0.00 -0.75 0.00 0.00 64.21 63.44 3dll n SER 113 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3dll h ARG 114 N 0.00 0.15 0.00 -1.46 2.43 -0.09 -3.00 114.38 112.42 3dll h ARG 114 Ca 0.55 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 3dll h ARG 114 Cb 1.31 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3dll h ARG 114 CO -0.65 0.10 0.00 0.09 -1.51 0.00 0.00 179.97 178.00 3dll n ASN 115 N -5.28 0.00 -0.10 -3.80 3.02 0.90 0.12 115.26 110.12 3dll n ASN 115 Ca 0.14 0.20 0.07 0.00 -0.03 0.00 0.00 54.58 54.97 3dll n ASN 115 Cb 0.49 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.79 3dll n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dll n ALA 116 N -2.07 0.24 -1.00 5.41 0.00 -1.22 0.83 120.51 122.69 3dll n ALA 116 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3dll n ALA 116 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3dll n ALA 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dll n ARG 117 N -3.89 0.00 0.00 0.00 0.63 -1.07 -4.89 116.66 107.45 3dll n ARG 117 Ca 0.09 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.14 3dll n ARG 117 Cb 0.31 -0.46 0.14 0.00 0.45 0.00 0.00 32.46 32.90 3dll n ARG 117 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16