#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bro n ALA 0 N 0.00 1.52 -2.99 5.41 0.00 -1.26 -5.07 120.51 118.12 3bro n ALA 0 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3bro n ALA 0 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 3bro n ALA 0 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bro s SER 2 N -1.98 0.12 0.00 0.00 0.15 -1.26 -5.23 113.70 105.50 3bro s SER 2 Ca 0.00 -0.01 0.20 0.00 0.70 0.00 0.00 55.95 56.84 3bro s SER 2 Cb 0.00 -0.03 0.97 0.00 -1.71 0.00 0.00 66.02 65.25 3bro s SER 2 CO 0.00 -0.01 1.65 0.54 1.20 0.00 0.00 173.24 176.62 3bro n ARG 3 N 3.23 1.30 -0.32 5.44 5.12 -1.26 -4.55 116.66 125.62 3bro n ARG 3 Ca -0.15 -0.45 -0.04 0.00 -1.93 0.00 0.00 57.85 55.29 3bro n ARG 3 Cb 0.58 -1.33 0.10 0.00 -1.16 0.00 0.00 32.46 30.65 3bro n ARG 3 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3bro h ASP 4 N 0.91 1.10 0.40 0.55 3.32 -2.04 -2.08 116.42 118.58 3bro h ASP 4 Ca 0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3bro h ASP 4 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3bro h ASP 4 CO 0.00 0.89 -0.26 0.25 -1.72 0.00 0.00 179.24 178.40 3bro h LEU 5 N 1.23 -0.65 -0.51 1.55 5.85 -1.99 0.21 115.31 121.00 3bro h LEU 5 Ca 0.31 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 3bro h LEU 5 Cb 0.04 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3bro h LEU 5 CO -0.05 -0.41 0.10 1.23 -0.34 0.00 0.00 178.44 178.98 3bro h GLY 6 N -0.64 0.89 0.87 3.75 0.00 -1.88 -1.21 103.07 104.86 3bro h GLY 6 Ca -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3bro h GLY 6 CO 0.03 0.53 0.07 -0.09 0.00 0.00 0.00 176.54 177.08 3bro h ARG 7 N 0.71 0.33 -0.01 4.80 2.43 -1.23 -2.60 114.38 118.80 3bro h ARG 7 Ca 0.16 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 3bro h ARG 7 Cb 0.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3bro h ARG 7 CO 0.01 0.43 -0.72 -0.07 -1.51 0.00 0.00 179.97 178.10 3bro h LEU 8 N 0.17 0.08 -0.66 3.80 3.38 -0.61 -1.79 115.31 119.69 3bro h LEU 8 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bro h LEU 8 Cb 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3bro h LEU 8 CO -0.00 0.77 0.40 0.25 0.09 0.00 0.00 178.44 179.95 3bro h LEU 9 N 0.04 0.79 -0.32 1.67 5.85 -1.18 0.44 115.31 122.60 3bro h LEU 9 Ca -0.01 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3bro h LEU 9 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3bro h LEU 9 CO 0.10 0.62 0.03 0.50 -0.34 0.00 0.00 178.44 179.35 3bro h LYS 10 N 0.90 0.54 -0.30 1.25 3.64 -1.33 -1.41 116.57 119.86 3bro h LYS 10 Ca 0.24 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3bro h LYS 10 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3bro h LYS 10 CO -0.04 0.66 0.17 0.82 -2.27 0.00 0.00 179.45 178.78 3bro h ILE 11 N 0.35 1.13 -0.55 2.00 2.04 -1.13 -0.88 117.51 120.47 3bro h ILE 11 Ca 0.09 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3bro h ILE 11 Cb 0.39 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3bro h ILE 11 CO 0.01 0.13 0.29 0.00 0.00 0.00 0.00 178.15 178.58 3bro h ALA 12 N 1.04 0.70 -0.28 1.87 0.00 -0.80 0.27 119.26 122.06 3bro h ALA 12 Ca 0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3bro h ALA 12 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3bro h ALA 12 CO -0.02 0.23 -0.21 1.03 0.00 0.00 0.00 179.25 180.28 3bro h SER 13 N 0.73 0.67 -0.34 0.00 0.87 -1.12 -2.96 113.55 111.41 3bro h SER 13 Ca 0.19 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 3bro h SER 13 Cb 0.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3bro h SER 13 CO -0.03 0.98 -0.00 0.78 -0.53 0.00 0.00 176.83 178.03 3bro h ASN 14 N 0.37 0.68 0.00 6.23 2.35 -0.92 -0.92 115.58 123.37 3bro h ASN 14 Ca 0.05 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3bro h ASN 14 Cb 0.76 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3bro h ASN 14 CO 0.06 0.75 0.00 0.00 -1.65 0.00 0.00 177.43 176.59 3bro n GLN 15 N -4.23 0.12 0.00 0.81 1.13 0.06 -1.22 117.38 114.06 3bro n GLN 15 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3bro n GLN 15 Cb 0.29 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.56 3bro n GLN 15 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3bro n SER 17 N 0.46 0.00 0.09 1.08 7.64 -0.35 -1.27 113.62 121.27 3bro n SER 17 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3bro n SER 17 Cb 0.03 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 3bro n SER 17 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3bro h THR 18 N 0.00 0.81 0.00 0.44 2.02 -1.42 -1.39 112.91 113.37 3bro h THR 18 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3bro h THR 18 Cb 0.00 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3bro h THR 18 CO 0.00 0.00 -0.05 0.03 0.37 0.00 0.00 175.52 175.87 3bro h ARG 19 N -0.19 0.00 -0.28 6.66 3.08 -1.45 -1.63 114.38 120.56 3bro h ARG 19 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3bro h ARG 19 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3bro h ARG 19 CO -0.01 0.05 -0.45 0.74 -1.07 0.00 0.00 179.97 179.23 3bro h PHE 20 N 0.00 1.00 -0.24 3.04 -1.00 -1.73 -2.34 116.94 115.68 3bro h PHE 20 Ca -0.00 -0.34 -0.06 0.00 2.81 0.00 0.00 57.97 60.38 3bro h PHE 20 Cb 0.09 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3bro h PHE 20 CO 0.00 1.15 -0.08 -0.44 -1.61 0.00 0.00 178.31 177.33 3bro h ASP 21 N 0.57 0.48 -0.28 2.17 3.32 -0.67 0.29 116.42 122.31 3bro h ASP 21 Ca 0.02 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.76 3bro h ASP 21 Cb 1.05 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.39 3bro h ASP 21 CO 0.10 0.75 -0.33 0.40 -1.72 0.00 0.00 179.24 178.45 3bro h ILE 22 N 0.20 0.25 -0.44 0.35 5.03 -1.36 0.14 117.51 121.68 3bro h ILE 22 Ca 0.06 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.72 3bro h ILE 22 Cb 0.55 0.25 -0.02 0.00 -3.03 0.00 0.00 36.82 34.58 3bro h ILE 22 CO 0.03 0.00 -0.04 0.15 -0.68 0.00 0.00 178.15 177.61 3bro h PHE 23 N -0.32 0.78 0.02 1.37 3.04 -1.35 -3.26 116.94 117.23 3bro h PHE 23 Ca 0.14 -0.12 -0.24 0.00 3.98 0.00 0.00 57.97 61.73 3bro h PHE 23 Cb 0.54 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.84 3bro h PHE 23 CO -0.48 0.76 -1.00 0.00 -2.02 0.00 0.00 178.31 175.57 3bro h ALA 24 N 1.28 0.29 0.00 2.41 0.00 -0.49 -3.26 119.26 119.49 3bro h ALA 24 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3bro h ALA 24 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bro h ALA 24 CO 0.02 0.80 0.00 -0.22 0.00 0.00 0.00 179.25 179.86 3bro h LYS 25 N 0.25 0.00 0.00 0.00 1.63 -0.35 0.10 116.57 118.19 3bro h LYS 25 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3bro h LYS 25 Cb 1.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 3bro h LYS 25 CO 0.18 0.00 0.00 -0.22 -3.45 0.00 0.00 179.45 175.96 3bro h LYS 26 N 0.00 0.00 -0.56 1.90 3.64 -1.65 -3.06 116.57 116.83 3bro h LYS 26 Ca 0.00 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.98 3bro h LYS 26 Cb 0.16 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.61 3bro h LYS 26 CO 0.00 0.00 -0.86 0.66 -2.27 0.00 0.00 179.45 176.98 3bro n TYR 27 N -2.44 1.98 -3.95 1.91 4.01 -0.02 -5.01 117.16 113.65 3bro n TYR 27 Ca 0.02 -2.05 -0.37 0.00 -0.16 0.00 0.00 57.90 55.35 3bro n TYR 27 Cb 0.28 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3bro n TYR 27 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3bro n ASP 28 N -0.68 -3.46 -3.74 7.72 2.03 -1.16 -4.97 116.55 112.29 3bro n ASP 28 Ca 0.31 -1.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.33 3bro n ASP 28 Cb 0.91 -2.44 -0.10 0.00 -0.72 0.00 0.00 41.12 38.76 3bro n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bro s LEU 29 N -7.05 0.57 0.84 -2.67 1.43 -0.97 -5.01 118.68 105.82 3bro s LEU 29 Ca 0.37 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 3bro s LEU 29 Cb -0.17 1.31 0.10 0.00 0.03 0.00 0.00 46.19 47.46 3bro s LEU 29 CO 0.93 -0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.85 3bro s THR 30 N 0.04 2.95 0.22 5.49 -4.23 -1.26 -2.36 115.64 116.49 3bro s THR 30 Ca -0.01 0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 3bro s THR 30 Cb -0.03 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.18 3bro s THR 30 CO 0.01 -0.40 1.86 1.23 -0.54 0.00 0.00 174.62 176.78 3bro h GLY 31 N -1.36 1.15 0.73 3.99 0.00 -1.85 -3.00 103.07 102.73 3bro h GLY 31 Ca -0.47 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3bro h GLY 31 CO 0.54 0.31 -0.04 -0.84 0.00 0.00 0.00 176.54 176.51 3bro h THR 32 N 0.97 1.09 0.00 4.70 2.02 -1.92 -0.90 112.91 118.86 3bro h THR 32 Ca 0.32 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3bro h THR 32 Cb 0.03 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3bro h THR 32 CO -0.12 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.92 3bro n GLN 33 N -5.01 0.00 0.00 6.66 6.02 -1.13 -1.28 117.38 122.64 3bro n GLN 33 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3bro n GLN 33 Cb 0.18 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3bro n GLN 33 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bro n THR 35 N 0.71 0.00 -0.05 5.09 -2.24 -0.35 -1.45 114.28 116.00 3bro n THR 35 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3bro n THR 35 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3bro n THR 35 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3bro h ILE 36 N 0.00 1.35 -0.50 2.28 1.08 -1.47 -1.93 117.51 118.32 3bro h ILE 36 Ca 0.00 -1.27 0.07 0.00 -0.39 0.00 0.00 64.86 63.27 3bro h ILE 36 Cb 0.00 1.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.57 3bro h ILE 36 CO 0.00 0.37 0.17 0.40 -0.69 0.00 0.00 178.15 178.40 3bro h ILE 37 N -0.06 0.82 -0.43 -0.67 2.04 -1.53 -0.88 117.51 116.80 3bro h ILE 37 Ca 0.02 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3bro h ILE 37 Cb 0.64 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3bro h ILE 37 CO 0.03 0.06 0.15 -0.78 0.00 0.00 0.00 178.15 177.62 3bro h ASP 38 N 0.35 0.16 0.06 1.72 3.58 -1.81 -2.13 116.42 118.34 3bro h ASP 38 Ca 0.24 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3bro h ASP 38 Cb 0.26 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 3bro h ASP 38 CO -0.25 0.12 -0.05 0.22 -2.88 0.00 0.00 179.24 176.40 3bro h TYR 39 N 0.32 -0.13 -0.22 0.28 3.20 -0.80 -3.01 116.97 116.60 3bro h TYR 39 Ca 0.20 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3bro h TYR 39 Cb 0.19 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3bro h TYR 39 CO -0.15 -0.08 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.00 3bro h LEU 40 N -0.12 0.40 -0.80 2.82 3.38 -0.95 -2.85 115.31 117.19 3bro h LEU 40 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3bro h LEU 40 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3bro h LEU 40 CO -0.01 0.64 0.19 0.28 0.09 0.00 0.00 178.44 179.62 3bro h SER 41 N 0.37 1.03 1.14 -0.43 0.02 -1.34 -2.38 113.55 111.95 3bro h SER 41 Ca 0.06 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3bro h SER 41 Cb 0.60 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3bro h SER 41 CO 0.04 0.97 0.00 0.03 -1.14 0.00 0.00 176.83 176.73 3bro h ARG 42 N 1.04 0.00 -0.09 3.45 3.08 -1.38 -3.29 114.38 117.19 3bro h ARG 42 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3bro h ARG 42 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3bro h ARG 42 CO -0.00 0.00 -0.34 0.09 -1.07 0.00 0.00 179.97 178.65 3bro n ASN 43 N -2.45 2.01 0.25 7.04 4.13 -0.93 -4.76 115.26 120.54 3bro n ASN 43 Ca 0.03 -3.77 0.10 0.00 1.68 0.00 0.00 54.58 52.62 3bro n ASN 43 Cb 0.34 -0.55 0.65 0.00 -1.54 0.00 0.00 39.78 38.68 3bro n ASN 43 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3bro h LYS 44 N 0.92 0.00 -0.26 3.52 1.57 -1.53 -3.08 116.57 117.71 3bro h LYS 44 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3bro h LYS 44 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3bro h LYS 44 CO 0.10 0.16 0.07 -0.91 -0.57 0.00 0.00 179.45 178.29 3bro h ASN 45 N 0.00 0.34 -2.70 0.86 2.35 -1.90 -3.45 115.58 111.07 3bro h ASN 45 Ca -0.00 -0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 55.16 3bro h ASN 45 Cb 0.38 -0.09 -0.13 0.00 0.05 0.00 0.00 38.32 38.53 3bro h ASN 45 CO 0.02 0.34 -0.54 -0.75 -1.65 0.00 0.00 177.43 174.85 3bro s LYS 46 N -5.12 1.90 -0.33 0.81 2.20 -1.16 -5.11 119.74 112.92 3bro s LYS 46 Ca -0.07 -2.14 -0.23 0.00 -0.36 0.00 0.00 55.97 53.17 3bro s LYS 46 Cb 0.16 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 3bro s LYS 46 CO 0.73 -0.37 0.78 -1.21 -0.36 0.00 0.00 175.35 174.91 3bro s GLU 47 N -3.78 3.87 -0.49 4.03 2.02 -1.26 -4.99 118.70 118.09 3bro s GLU 47 Ca 0.25 0.46 -0.19 0.00 0.02 0.00 0.00 54.97 55.51 3bro s GLU 47 Cb 0.04 -3.76 0.05 0.00 0.10 0.00 0.00 34.13 30.56 3bro s GLU 47 CO 0.13 -0.75 0.60 0.08 0.02 0.00 0.00 175.26 175.35 3bro s VAL 48 N 3.01 4.90 0.72 2.63 1.01 -1.26 -5.03 120.40 126.38 3bro s VAL 48 Ca 0.32 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 3bro s VAL 48 Cb -0.14 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.00 3bro s VAL 48 CO 0.14 -0.75 1.10 -0.76 0.00 0.00 0.00 175.10 174.83 3bro s LEU 49 N 2.57 2.86 0.28 3.92 1.43 -1.26 -0.79 118.68 127.68 3bro s LEU 49 Ca 0.15 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 3bro s LEU 49 Cb -0.19 -3.83 0.46 0.00 0.03 0.00 0.00 46.19 42.66 3bro s LEU 49 CO 0.12 -1.40 1.89 -0.61 0.23 0.00 0.00 176.35 176.58 3bro h GLN 50 N -0.69 1.09 -0.18 1.70 4.15 -1.97 -1.83 115.11 117.38 3bro h GLN 50 Ca -0.45 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 58.90 3bro h GLN 50 Cb 1.26 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 3bro h GLN 50 CO 0.64 0.72 0.10 0.07 -1.93 0.00 0.00 178.83 178.43 3bro h ARG 51 N 1.12 0.24 -0.31 1.69 0.11 -1.93 0.31 114.38 115.61 3bro h ARG 51 Ca 0.43 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 60.36 3bro h ARG 51 Cb 0.20 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3bro h ARG 51 CO -0.17 0.18 -0.34 -0.44 0.10 0.00 0.00 179.97 179.29 3bro h ASP 52 N 0.25 0.71 -0.36 0.08 3.32 -1.71 -2.12 116.42 116.59 3bro h ASP 52 Ca 0.07 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 3bro h ASP 52 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3bro h ASP 52 CO -0.01 0.99 -0.14 0.25 -1.72 0.00 0.00 179.24 178.61 3bro h LEU 53 N 0.57 0.74 -0.59 1.55 6.46 -1.01 -2.37 115.31 120.67 3bro h LEU 53 Ca 0.06 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.46 3bro h LEU 53 Cb 0.86 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 3bro h LEU 53 CO 0.07 0.97 0.35 -0.33 -0.62 0.00 0.00 178.44 178.88 3bro h GLU 54 N 0.51 0.66 -0.05 1.25 5.08 -0.86 -1.03 114.58 120.14 3bro h GLU 54 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3bro h GLU 54 Cb 0.67 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3bro h GLU 54 CO 0.05 0.44 0.02 1.03 -1.00 0.00 0.00 179.01 179.54 3bro h SER 55 N 0.68 0.08 -0.20 1.42 0.87 -1.41 -0.50 113.55 114.49 3bro h SER 55 Ca 0.24 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3bro h SER 55 Cb 0.06 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3bro h SER 55 CO -0.12 0.26 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.33 3bro h GLU 56 N -0.11 0.51 -0.10 2.24 4.57 -1.10 -3.02 114.58 117.56 3bro h GLU 56 Ca 0.02 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3bro h GLU 56 Cb 0.22 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3bro h GLU 56 CO -0.00 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.59 3bro n PHE 57 N -4.26 0.11 -3.83 0.92 3.01 -0.42 -4.99 117.46 108.00 3bro n PHE 57 Ca 0.01 -0.07 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 3bro n PHE 57 Cb 0.27 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.75 3bro n PHE 57 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3bro n SER 58 N 1.03 -2.68 -4.41 4.37 2.88 -0.27 -5.00 113.62 109.55 3bro n SER 58 Ca 0.12 -1.02 -0.25 0.00 -1.33 0.00 0.00 58.87 56.39 3bro n SER 58 Cb 0.46 -3.18 -0.11 0.00 -0.75 0.00 0.00 64.21 60.63 3bro n SER 58 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3bro s ILE 59 N -3.71 2.23 0.70 2.46 -4.36 -0.77 -5.04 121.20 112.71 3bro s ILE 59 Ca 0.23 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 3bro s ILE 59 Cb -0.09 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.57 3bro s ILE 59 CO 0.88 -0.18 1.07 -0.54 0.24 0.00 0.00 174.94 176.40 3bro s LYS 60 N -2.76 2.81 0.15 0.37 1.02 -1.26 -4.69 119.74 115.38 3bro s LYS 60 Ca 0.20 1.06 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 3bro s LYS 60 Cb -0.07 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.32 3bro s LYS 60 CO 0.09 -1.21 1.68 0.77 -0.92 0.00 0.00 175.35 175.77 3bro h SER 61 N -0.65 -0.30 -0.74 2.83 0.02 -1.98 -0.61 113.55 112.11 3bro h SER 61 Ca -0.44 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3bro h SER 61 Cb 1.22 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.88 3bro h SER 61 CO 0.55 -0.11 0.34 0.77 -1.14 0.00 0.00 176.83 177.24 3bro h SER 62 N 0.01 0.38 -0.11 3.07 4.64 -1.99 0.49 113.55 120.03 3bro h SER 62 Ca 0.16 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 3bro h SER 62 Cb 0.24 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3bro h SER 62 CO -0.34 0.18 -0.14 0.74 -0.87 0.00 0.00 176.83 176.40 3bro h THR 63 N 0.52 1.37 -0.36 2.95 2.02 -1.82 -2.55 112.91 115.04 3bro h THR 63 Ca 0.39 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 3bro h THR 63 Cb 0.52 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3bro h THR 63 CO -0.34 0.39 0.11 0.00 0.37 0.00 0.00 175.52 176.04 3bro h ALA 64 N 0.56 0.48 -0.39 6.16 0.00 -0.84 -1.82 119.26 123.40 3bro h ALA 64 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3bro h ALA 64 Cb 0.69 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3bro h ALA 64 CO 0.03 0.12 -0.48 1.15 0.00 0.00 0.00 179.25 180.08 3bro h THR 65 N 0.44 0.00 -0.42 0.00 2.02 -0.04 -0.16 112.91 114.74 3bro h THR 65 Ca 0.12 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3bro h THR 65 Cb 0.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3bro h THR 65 CO -0.00 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.47 3bro h VAL 66 N -0.31 1.22 -0.23 3.16 2.07 -1.39 -1.62 116.25 119.15 3bro h VAL 66 Ca 0.07 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3bro h VAL 66 Cb 0.49 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3bro h VAL 66 CO -0.53 0.32 0.01 -0.07 0.02 0.00 0.00 177.57 177.31 3bro h LEU 67 N 0.64 0.40 -0.77 2.57 3.38 -1.00 -3.07 115.31 117.46 3bro h LEU 67 Ca 0.13 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3bro h LEU 67 Cb 0.39 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3bro h LEU 67 CO 0.01 0.59 -0.20 -0.07 0.09 0.00 0.00 178.44 178.87 3bro h LEU 68 N 0.19 0.72 -0.36 1.67 3.38 -0.81 -3.03 115.31 117.06 3bro h LEU 68 Ca 0.07 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3bro h LEU 68 Cb 0.38 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3bro h LEU 68 CO 0.01 0.91 -0.14 1.56 0.09 0.00 0.00 178.44 180.87 3bro h GLN 69 N 0.63 -0.07 -1.09 1.13 1.08 -1.31 -1.95 115.11 113.54 3bro h GLN 69 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3bro h GLN 69 Cb 0.68 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3bro h GLN 69 CO 0.05 -0.05 0.00 -2.13 -0.95 0.00 0.00 178.83 175.75 3bro n ARG 70 N -5.33 0.20 0.00 1.46 3.00 -1.15 -1.56 116.66 113.28 3bro n ARG 70 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3bro n ARG 70 Cb 0.24 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.43 3bro n ARG 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3bro n GLU 72 N 0.68 0.00 -0.34 -0.14 2.13 -0.73 -0.27 120.64 121.97 3bro n GLU 72 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 3bro n GLU 72 Cb 0.08 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.17 3bro n GLU 72 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3bro h ILE 73 N 0.00 0.49 0.00 6.31 2.04 -1.56 0.61 117.51 125.41 3bro h ILE 73 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3bro h ILE 73 Cb 0.00 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3bro h ILE 73 CO 0.00 0.09 0.00 0.29 0.00 0.00 0.00 178.15 178.53 3bro n LYS 74 N -4.93 0.94 -2.53 2.37 5.02 0.63 -4.92 118.16 114.74 3bro n LYS 74 Ca 0.27 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.39 3bro n LYS 74 Cb 0.77 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 3bro n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bro n LYS 75 N -0.95 -2.34 -0.07 1.97 5.02 0.21 -4.90 118.16 117.10 3bro n LYS 75 Ca 0.20 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 57.17 3bro n LYS 75 Cb 0.09 -5.21 -0.15 0.00 -0.02 0.00 0.00 35.03 29.74 3bro n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bro n LEU 76 N -2.72 0.23 -4.24 -0.35 4.77 -1.26 -4.60 117.00 108.84 3bro n LEU 76 Ca -0.15 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 3bro n LEU 76 Cb 0.63 0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 42.02 3bro n LEU 76 CO 0.29 0.45 -0.20 -1.48 -1.33 0.00 0.00 177.39 175.11 3bro s LEU 77 N -5.61 1.38 0.22 2.23 0.05 -1.26 -1.91 118.68 113.77 3bro s LEU 77 Ca -0.08 -1.51 -0.09 0.00 0.05 0.00 0.00 54.13 52.50 3bro s LEU 77 Cb 0.07 0.41 -0.02 0.00 -2.05 0.00 0.00 46.19 44.61 3bro s LEU 77 CO 0.83 -0.91 0.34 -0.72 -0.55 0.00 0.00 176.35 175.34 3bro s TYR 78 N -3.90 0.59 -0.15 3.48 -0.85 -0.39 -4.42 117.35 111.71 3bro s TYR 78 Ca 0.39 -0.91 -0.08 0.00 -0.52 0.00 0.00 57.07 55.95 3bro s TYR 78 Cb 0.05 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 3bro s TYR 78 CO 0.17 -0.83 0.13 1.03 -1.52 0.00 0.00 175.55 174.52 3bro s ARG 79 N -4.05 3.76 0.01 -3.49 1.81 -1.26 -1.21 118.95 114.53 3bro s ARG 79 Ca 0.26 -0.19 0.03 0.00 -1.72 0.00 0.00 55.73 54.11 3bro s ARG 79 Cb 0.02 -3.27 -0.01 0.00 -0.45 0.00 0.00 34.95 31.24 3bro s ARG 79 CO 0.08 0.55 -0.11 0.21 -0.68 0.00 0.00 175.30 175.36 3bro s LYS 80 N -0.38 0.77 0.28 3.54 2.20 0.51 -4.94 119.74 121.72 3bro s LYS 80 Ca 0.11 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 3bro s LYS 80 Cb -0.12 -0.73 -0.12 0.00 -1.51 0.00 0.00 37.83 35.36 3bro s LYS 80 CO 0.01 0.19 1.61 0.28 -0.36 0.00 0.00 175.35 177.08 3bro n VAL 81 N 2.36 0.85 -4.03 4.02 0.31 -1.26 -0.51 118.33 120.08 3bro n VAL 81 Ca -0.16 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 3bro n VAL 81 Cb 0.56 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3bro n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3bro s SER 82 N 0.59 5.78 -0.02 4.52 1.04 -1.22 -4.80 113.70 119.60 3bro s SER 82 Ca 0.66 0.01 0.18 0.00 0.48 0.00 0.00 55.95 57.27 3bro s SER 82 Cb -0.51 -1.60 -0.20 0.00 0.10 0.00 0.00 66.02 63.81 3bro s SER 82 CO 0.46 0.10 0.58 0.61 0.98 0.00 0.00 173.24 175.98 3bro n GLY 83 N -0.11 -1.11 0.00 7.32 0.00 -1.26 -4.24 105.19 105.79 3bro n GLY 83 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3bro n GLY 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bro n LYS 84 N -2.76 0.00 -2.79 1.61 4.81 -1.26 -4.38 118.16 113.39 3bro n LYS 84 Ca -0.15 0.17 -0.43 0.00 -0.87 0.00 0.00 58.31 57.04 3bro n LYS 84 Cb 0.88 -1.14 -0.04 0.00 0.02 0.00 0.00 35.03 34.75 3bro n LYS 84 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3bro s ASP 85 N -1.98 6.21 0.00 3.14 1.01 -1.26 -4.90 116.67 118.89 3bro s ASP 85 Ca 0.00 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.54 3bro s ASP 85 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3bro s ASP 85 CO 0.00 -1.47 0.71 -1.54 0.21 0.00 0.00 175.17 173.08 3bro n SER 86 N 8.00 0.00 -0.02 0.27 3.41 -1.26 -2.52 113.62 121.49 3bro n SER 86 Ca -0.01 0.25 -0.03 0.00 -0.26 0.00 0.00 58.87 58.82 3bro n SER 86 Cb 0.47 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3bro n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bro n ARG 87 N -1.21 1.81 -3.62 4.33 1.74 -1.26 -4.93 116.66 113.52 3bro n ARG 87 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 3bro n ARG 87 Cb 0.07 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 3bro n ARG 87 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3bro s GLN 88 N -2.10 3.63 -0.01 5.56 2.00 -1.05 -4.99 119.66 122.70 3bro s GLN 88 Ca -0.04 -0.07 -0.17 0.00 -2.00 0.00 0.00 55.36 53.08 3bro s GLN 88 Cb 0.01 -2.81 -0.06 0.00 0.80 0.00 0.00 33.01 30.96 3bro s GLN 88 CO 0.14 0.43 0.49 0.15 -0.50 0.00 0.00 175.29 176.00 3bro s LYS 89 N -2.80 4.14 0.12 1.67 1.02 -1.26 -3.38 119.74 119.25 3bro s LYS 89 Ca 0.42 0.54 0.04 0.00 0.02 0.00 0.00 55.97 56.99 3bro s LYS 89 Cb -0.12 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3bro s LYS 89 CO 0.25 0.51 0.11 0.00 -0.92 0.00 0.00 175.35 175.30 3bro s LEU 91 N -2.74 4.34 0.07 0.00 1.43 0.03 -0.36 118.68 121.45 3bro s LEU 91 Ca 0.30 0.83 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 3bro s LEU 91 Cb -0.11 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3bro s LEU 91 CO 0.23 0.13 -0.14 -0.54 0.23 0.00 0.00 176.35 176.25 3bro s LYS 92 N 0.02 0.83 0.08 1.70 -0.14 -0.35 -4.65 119.74 117.23 3bro s LYS 92 Ca 0.24 -0.97 -0.26 0.00 -1.36 0.00 0.00 55.97 53.63 3bro s LYS 92 Cb -0.15 -0.84 -0.06 0.00 -1.68 0.00 0.00 37.83 35.10 3bro s LYS 92 CO 0.11 0.19 0.79 -0.51 -0.76 0.00 0.00 175.35 175.16 3bro s LEU 93 N -1.76 4.49 0.92 3.17 1.43 -1.26 -1.27 118.68 124.40 3bro s LEU 93 Ca -0.02 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.50 3bro s LEU 93 Cb -0.10 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 42.98 3bro s LEU 93 CO 0.02 0.05 1.14 0.42 0.23 0.00 0.00 176.35 178.21 3bro s THR 94 N -0.31 1.99 0.40 5.49 -4.23 -0.80 -4.87 115.64 113.30 3bro s THR 94 Ca 0.39 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.03 3bro s THR 94 Cb -0.21 -2.74 0.13 0.00 1.34 0.00 0.00 72.50 71.01 3bro s THR 94 CO 0.25 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.71 3bro h LYS 95 N -1.54 0.01 -0.16 3.99 3.64 -1.90 -1.49 116.57 119.13 3bro h LYS 95 Ca -0.51 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3bro h LYS 95 Cb 1.33 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 3bro h LYS 95 CO 0.61 0.31 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.86 3bro h LYS 96 N 0.01 0.03 -0.02 1.90 3.64 -1.93 -2.88 116.57 117.32 3bro h LYS 96 Ca -0.00 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3bro h LYS 96 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3bro h LYS 96 CO 0.04 0.02 -0.43 0.00 -2.27 0.00 0.00 179.45 176.81 3bro h ALA 97 N 1.14 1.25 -0.32 5.00 0.00 -1.70 -3.05 119.26 121.57 3bro h ALA 97 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3bro h ALA 97 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3bro h ALA 97 CO -0.14 0.55 0.20 -0.91 0.00 0.00 0.00 179.25 178.96 3bro h ASN 98 N 0.04 0.37 0.95 0.00 4.21 -1.08 -2.47 115.58 117.60 3bro h ASN 98 Ca -0.00 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.38 3bro h ASN 98 Cb 0.78 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 3bro h ASN 98 CO 0.06 0.28 -0.54 0.11 -1.29 0.00 0.00 177.43 176.05 3bro h LYS 99 N 0.44 0.00 0.00 0.81 1.57 -1.40 -3.10 116.57 114.88 3bro h LYS 99 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3bro h LYS 99 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3bro h LYS 99 CO -0.02 0.54 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.19 3bro h LEU 100 N 0.00 0.00 -0.26 2.94 3.38 -1.53 -3.40 115.31 116.44 3bro h LEU 100 Ca -0.01 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3bro h LEU 100 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3bro h LEU 100 CO 0.07 0.01 -0.26 -0.33 0.09 0.00 0.00 178.44 178.02 3bro h GLU 101 N 0.00 -0.25 -0.97 1.13 5.08 -1.42 0.24 114.58 118.39 3bro h GLU 101 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bro h GLU 101 Cb 0.90 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 3bro h GLU 101 CO 0.00 -0.17 0.61 1.79 -1.00 0.00 0.00 179.01 180.25 3bro h THR 102 N -0.26 1.26 0.09 1.13 1.35 -1.79 0.20 112.91 114.88 3bro h THR 102 Ca 0.14 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3bro h THR 102 Cb 0.48 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 3bro h THR 102 CO -0.41 0.26 -0.04 0.40 -0.25 0.00 0.00 175.52 175.48 3bro h ILE 103 N 1.32 1.10 0.30 6.82 1.08 -1.72 -2.13 117.51 124.28 3bro h ILE 103 Ca 0.35 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3bro h ILE 103 Cb -0.10 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3bro h ILE 103 CO -0.07 0.17 -0.15 0.40 -0.69 0.00 0.00 178.15 177.82 3bro h ILE 104 N -0.44 0.71 -0.16 -0.67 2.04 -0.70 -0.42 117.51 117.86 3bro h ILE 104 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3bro h ILE 104 Cb 0.38 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3bro h ILE 104 CO 0.02 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.06 3bro h LEU 105 N -0.42 0.22 -0.09 1.44 -0.00 -0.69 -1.36 115.31 114.41 3bro h LEU 105 Ca -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 3bro h LEU 105 Cb 0.32 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 3bro h LEU 105 CO 0.07 0.30 0.02 -1.28 -0.00 0.00 0.00 178.44 177.55 3bro h SER 106 N 0.23 0.13 0.00 -0.43 0.87 -1.20 -2.13 113.55 111.02 3bro h SER 106 Ca 0.05 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3bro h SER 106 Cb 0.23 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3bro h SER 106 CO 0.01 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 3bro n TYR 107 N -4.90 0.00 0.00 2.24 9.36 -0.18 -0.08 117.16 123.60 3bro n TYR 107 Ca -0.06 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.14 3bro n TYR 107 Cb 0.14 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 3bro n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3bro n ASP 109 N 0.88 0.00 -0.01 2.98 8.00 -0.80 0.17 116.55 127.77 3bro n ASP 109 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 3bro n ASP 109 Cb 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 3bro n ASP 109 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3bro h SER 110 N 0.00 0.28 0.39 -2.24 0.87 -0.75 -3.31 113.55 108.79 3bro h SER 110 Ca 0.00 -0.87 -0.02 0.00 -1.23 0.00 0.00 61.79 59.67 3bro h SER 110 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3bro h SER 110 CO 0.00 1.40 -0.19 -0.78 -0.53 0.00 0.00 176.83 176.73 3bro h ASP 111 N -0.56 -0.45 -0.48 6.23 3.58 0.15 0.77 116.42 125.66 3bro h ASP 111 Ca -0.19 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.02 3bro h ASP 111 Cb 1.51 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.65 3bro h ASP 111 CO 0.04 -0.04 -0.13 1.56 -2.88 0.00 0.00 179.24 177.79 3bro h GLN 112 N -0.94 0.97 -0.53 0.28 1.08 -1.82 -1.62 115.11 112.53 3bro h GLN 112 Ca -0.05 -0.36 0.09 0.00 -1.45 0.00 0.00 58.65 56.88 3bro h GLN 112 Cb 0.55 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 3bro h GLN 112 CO 0.09 1.03 0.11 0.77 -0.95 0.00 0.00 178.83 179.88 3bro h SER 113 N 0.86 0.01 0.00 1.46 0.02 -1.65 0.40 113.55 114.65 3bro h SER 113 Ca 0.13 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3bro h SER 113 Cb 0.68 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3bro h SER 113 CO 0.05 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.77 3bro n GLN 114 N -5.11 0.00 0.00 3.45 6.02 0.27 -1.45 117.38 120.55 3bro n GLN 114 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3bro n GLN 114 Cb 0.26 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3bro n GLN 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bro n THR 116 N -0.13 0.00 0.01 5.09 -2.24 0.13 -4.56 114.28 112.58 3bro n THR 116 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3bro n THR 116 Cb 0.00 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.53 3bro n THR 116 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3bro h SER 117 N 0.00 0.46 0.79 3.42 4.64 -1.46 -1.67 113.55 119.73 3bro h SER 117 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3bro h SER 117 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3bro h SER 117 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3bro n GLY 118 N -0.87 -1.38 3.87 -0.77 0.00 -1.26 -4.87 105.19 99.91 3bro n GLY 118 Ca 0.01 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3bro n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bro s LEU 119 N -2.81 4.30 0.50 0.99 1.43 -0.63 -5.08 118.68 117.37 3bro s LEU 119 Ca 0.20 0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 3bro s LEU 119 Cb 0.19 -3.23 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 3bro s LEU 119 CO 0.48 0.09 0.99 0.20 0.23 0.00 0.00 176.35 178.35 3bro s ASN 120 N -1.98 6.56 0.38 2.29 0.01 -1.26 -4.94 114.94 115.99 3bro s ASN 120 Ca 0.38 1.69 0.07 0.00 -0.71 0.00 0.00 52.86 54.29 3bro s ASN 120 Cb -0.13 -2.53 0.79 0.00 0.41 0.00 0.00 41.25 39.78 3bro s ASN 120 CO 0.20 -0.63 1.98 0.50 -1.51 0.00 0.00 177.10 177.64 3bro h LYS 121 N 1.23 0.67 -0.08 -0.60 1.63 -1.98 0.86 116.57 118.31 3bro h LYS 121 Ca -0.48 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 3bro h LYS 121 Cb 1.19 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 3bro h LYS 121 CO 0.60 0.45 0.00 0.93 -3.45 0.00 0.00 179.45 177.98 3bro h GLU 122 N 0.69 0.10 0.00 1.90 3.07 -1.99 -0.91 114.58 117.45 3bro h GLU 122 Ca 0.28 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.00 3bro h GLU 122 Cb 0.23 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3bro h GLU 122 CO -0.09 0.11 -0.51 0.93 -1.40 0.00 0.00 179.01 178.05 3bro h GLU 123 N 0.11 0.34 -0.47 2.33 5.08 -1.23 -1.68 114.58 119.06 3bro h GLU 123 Ca 0.03 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3bro h GLU 123 Cb 0.07 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3bro h GLU 123 CO 0.00 1.06 0.29 0.28 -1.00 0.00 0.00 179.01 179.63 3bro h VAL 124 N -0.22 1.07 -0.21 3.13 2.07 -1.00 -1.33 116.25 119.76 3bro h VAL 124 Ca -0.06 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3bro h VAL 124 Cb 1.24 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3bro h VAL 124 CO 0.10 0.11 0.12 0.58 0.02 0.00 0.00 177.57 178.49 3bro h VAL 125 N 0.58 1.02 -0.07 2.57 2.07 -1.19 -0.95 116.25 120.28 3bro h VAL 125 Ca 0.18 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3bro h VAL 125 Cb -0.01 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3bro h VAL 125 CO -0.07 0.05 -0.11 0.15 0.02 0.00 0.00 177.57 177.60 3bro h PHE 126 N 0.25 -0.28 -0.50 1.57 3.57 -1.05 -2.03 116.94 118.47 3bro h PHE 126 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3bro h PHE 126 Cb -0.00 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3bro h PHE 126 CO -0.08 -0.17 0.28 1.25 -2.23 0.00 0.00 178.31 177.36 3bro h LEU 127 N -0.16 0.63 -0.57 0.59 5.85 -1.02 -2.35 115.31 118.29 3bro h LEU 127 Ca 0.07 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3bro h LEU 127 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3bro h LEU 127 CO -0.17 0.54 0.31 -0.33 -0.34 0.00 0.00 178.44 178.45 3bro h GLU 128 N 0.67 0.57 -0.48 1.25 5.08 -1.06 0.47 114.58 121.07 3bro h GLU 128 Ca 0.18 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3bro h GLU 128 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3bro h GLU 128 CO -0.03 0.38 0.23 0.87 -1.00 0.00 0.00 179.01 179.46 3bro h LYS 129 N 0.58 0.70 -0.13 2.33 1.57 -1.14 -2.09 116.57 118.39 3bro h LYS 129 Ca 0.25 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 3bro h LYS 129 Cb 0.13 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3bro h LYS 129 CO -0.16 0.59 -0.67 0.82 -0.57 0.00 0.00 179.45 179.46 3bro h ILE 130 N 0.64 1.34 -0.49 1.86 1.08 -1.13 -3.02 117.51 117.79 3bro h ILE 130 Ca 0.17 -1.99 -0.07 0.00 -0.39 0.00 0.00 64.86 62.57 3bro h ILE 130 Cb 0.12 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 3bro h ILE 130 CO -0.02 0.61 0.01 -0.07 -0.69 0.00 0.00 178.15 177.99 3bro h LEU 131 N 0.37 0.78 -0.83 1.44 3.38 -0.77 -2.92 115.31 116.76 3bro h LEU 131 Ca -0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3bro h LEU 131 Cb 1.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3bro h LEU 131 CO 0.12 0.84 0.26 0.50 0.09 0.00 0.00 178.44 180.25 3bro h LYS 132 N 0.76 1.13 -1.14 1.13 1.63 -1.34 -0.98 116.57 117.75 3bro h LYS 132 Ca 0.15 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3bro h LYS 132 Cb 0.44 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3bro h LYS 132 CO 0.02 0.94 0.00 0.54 -3.45 0.00 0.00 179.45 177.50 3bro n ARG 133 N -4.27 0.46 0.00 1.90 1.74 -1.10 -2.35 116.66 113.04 3bro n ARG 133 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3bro n ARG 133 Cb 0.21 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3bro n ARG 133 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3bro n ILE 135 N 0.59 0.00 -0.06 0.55 5.41 -0.37 -2.45 119.36 123.02 3bro n ILE 135 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3bro n ILE 135 Cb 0.19 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.08 3bro n ILE 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3bro h GLU 136 N 0.00 0.31 -0.59 0.38 5.08 -1.73 -3.25 114.58 114.77 3bro h GLU 136 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bro h GLU 136 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3bro h GLU 136 CO 0.00 0.34 0.00 0.43 -1.00 0.00 0.00 179.01 178.78 3bro n SER 137 N -4.84 3.35 0.00 1.42 7.64 -1.02 -5.25 113.62 114.91 3bro n SER 137 Ca -0.03 -2.27 0.05 0.00 1.01 0.00 0.00 58.87 57.63 3bro n SER 137 Cb 0.10 -0.46 0.32 0.00 -1.01 0.00 0.00 64.21 63.17 3bro n SER 137 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36