#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m6t s ASP 2 N 0.00 3.28 0.24 0.00 2.15 -1.26 -4.98 116.67 116.10 1m6t s ASP 2 Ca 0.00 -1.75 -0.04 0.00 0.43 0.00 0.00 52.55 51.19 1m6t s ASP 2 Cb 0.00 -0.40 0.26 0.00 -0.30 0.00 0.00 42.92 42.48 1m6t s ASP 2 CO 0.00 -0.37 1.74 -0.07 -0.17 0.00 0.00 175.17 176.30 1m6t h LEU 3 N 7.71 0.88 -1.85 -1.34 3.38 -1.96 -2.93 115.31 119.21 1m6t h LEU 3 Ca -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1m6t h LEU 3 Cb 0.99 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1m6t h LEU 3 CO 0.36 0.91 -0.04 -0.33 0.09 0.00 0.00 178.44 179.43 1m6t h GLU 4 N 0.87 0.05 0.02 1.13 4.39 -1.97 0.47 114.58 119.53 1m6t h GLU 4 Ca 0.17 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1m6t h GLU 4 Cb 0.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1m6t h GLU 4 CO 0.01 0.09 -0.01 0.22 -1.16 0.00 0.00 179.01 178.16 1m6t h ASP 5 N 0.05 -0.02 0.22 1.42 3.58 -1.96 -1.20 116.42 118.51 1m6t h ASP 5 Ca 0.01 -0.44 -0.06 0.00 0.42 0.00 0.00 57.03 56.95 1m6t h ASP 5 Cb 0.10 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1m6t h ASP 5 CO 0.01 0.44 -0.27 0.78 -2.88 0.00 0.00 179.24 177.32 1m6t h ASN 6 N -0.48 0.08 0.05 2.28 -0.26 -1.42 -2.10 115.58 113.72 1m6t h ASN 6 Ca -0.00 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 1m6t h ASN 6 Cb 0.46 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1m6t h ASN 6 CO 0.00 0.35 -0.28 -0.25 -1.06 0.00 0.00 177.43 176.19 1m6t h TRP 7 N 0.08 0.41 -0.20 1.19 2.91 0.10 -1.56 115.95 118.88 1m6t h TRP 7 Ca 0.01 -0.09 -0.13 0.00 1.13 0.00 0.00 58.89 59.82 1m6t h TRP 7 Cb 0.52 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1m6t h TRP 7 CO 0.00 0.62 -0.37 0.93 -1.03 0.00 0.00 178.44 178.60 1m6t h GLU 8 N 0.33 0.61 -0.53 2.65 4.39 -0.57 -2.61 114.58 118.85 1m6t h GLU 8 Ca 0.05 -0.38 0.04 0.00 0.34 0.00 0.00 59.36 59.40 1m6t h GLU 8 Cb 0.67 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1m6t h GLU 8 CO 0.05 1.00 0.29 1.15 -1.16 0.00 0.00 179.01 180.33 1m6t h THR 9 N 0.29 0.99 -0.51 1.13 2.02 -1.19 -0.57 112.91 115.06 1m6t h THR 9 Ca 0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1m6t h THR 9 Cb 0.96 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1m6t h THR 9 CO 0.08 0.10 0.24 -0.07 0.37 0.00 0.00 175.52 176.25 1m6t h LEU 10 N 0.56 0.68 -0.07 2.58 3.38 -1.27 -1.97 115.31 119.21 1m6t h LEU 10 Ca 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1m6t h LEU 10 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1m6t h LEU 10 CO -0.14 0.62 -0.00 0.78 0.09 0.00 0.00 178.44 179.79 1m6t h ASN 11 N 0.68 0.11 -0.89 -0.43 4.21 -1.04 -2.09 115.58 116.14 1m6t h ASN 11 Ca 0.18 -0.31 -0.02 0.00 1.21 0.00 0.00 56.30 57.35 1m6t h ASN 11 Cb 0.13 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.26 1m6t h ASN 11 CO -0.02 0.40 0.47 0.44 -1.29 0.00 0.00 177.43 177.43 1m6t h ASP 12 N -0.17 1.13 0.85 5.81 3.32 -1.13 -2.43 116.42 123.80 1m6t h ASP 12 Ca 0.02 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1m6t h ASP 12 Cb 0.34 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1m6t h ASP 12 CO 0.00 0.91 -0.27 0.78 -1.72 0.00 0.00 179.24 178.95 1m6t h ASN 13 N 1.25 0.00 -0.36 6.45 2.35 -1.32 -0.84 115.58 123.11 1m6t h ASN 13 Ca 0.31 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1m6t h ASN 13 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1m6t h ASN 13 CO -0.05 0.27 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.86 1m6t h LEU 14 N 0.00 0.75 -0.51 1.61 3.38 -0.90 -0.90 115.31 118.75 1m6t h LEU 14 Ca -0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1m6t h LEU 14 Cb 0.76 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1m6t h LEU 14 CO 0.03 0.86 0.03 0.50 0.09 0.00 0.00 178.44 179.95 1m6t h LYS 15 N 0.71 0.88 -0.47 1.13 1.63 -0.95 -0.23 116.57 119.27 1m6t h LYS 15 Ca 0.13 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1m6t h LYS 15 Cb 0.53 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1m6t h LYS 15 CO 0.03 0.90 0.27 0.28 -3.45 0.00 0.00 179.45 177.48 1m6t h VAL 16 N 0.75 1.03 -0.21 2.00 2.07 -0.74 -1.39 116.25 119.75 1m6t h VAL 16 Ca 0.15 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1m6t h VAL 16 Cb 0.48 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1m6t h VAL 16 CO 0.02 0.10 0.09 0.40 0.02 0.00 0.00 177.57 178.20 1m6t h ILE 17 N 0.54 1.15 -1.01 4.57 2.04 -0.91 -0.14 117.51 123.75 1m6t h ILE 17 Ca 0.19 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1m6t h ILE 17 Cb 0.04 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 1m6t h ILE 17 CO -0.10 0.15 0.64 -0.08 0.00 0.00 0.00 178.15 178.76 1m6t h GLU 18 N 0.19 1.06 -0.02 2.37 4.81 -0.72 -2.33 114.58 119.93 1m6t h GLU 18 Ca 0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1m6t h GLU 18 Cb 0.15 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1m6t h GLU 18 CO -0.01 0.70 -0.15 1.63 -0.73 0.00 0.00 179.01 180.45 1m6t n LYS 19 N -4.56 1.51 -1.80 1.92 4.76 -0.55 -4.98 118.16 114.46 1m6t n LYS 19 Ca 0.17 -1.05 -0.37 0.00 -2.87 0.00 0.00 58.31 54.20 1m6t n LYS 19 Cb 0.27 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 32.04 1m6t n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m6t s ALA 20 N -2.22 2.41 -0.27 7.82 0.00 -0.08 -4.95 121.76 124.48 1m6t s ALA 20 Ca 0.29 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1m6t s ALA 20 Cb 0.20 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1m6t s ALA 20 CO 0.42 -1.50 0.27 -0.25 0.00 0.00 0.00 175.76 174.70 1m6t n ASP 21 N -1.85 0.99 -4.04 0.00 8.00 -1.26 -5.05 116.55 113.35 1m6t n ASP 21 Ca 0.15 -0.52 -0.08 0.00 0.71 0.00 0.00 54.79 55.05 1m6t n ASP 21 Cb 0.48 1.07 -0.09 0.00 -0.02 0.00 0.00 41.12 42.57 1m6t n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1m6t s ASN 22 N -1.94 0.31 0.33 -2.24 2.20 -1.26 -5.06 114.94 107.28 1m6t s ASN 22 Ca 0.02 -0.98 0.01 0.00 -0.94 0.00 0.00 52.86 50.97 1m6t s ASN 22 Cb 0.05 0.28 0.55 0.00 -2.00 0.00 0.00 41.25 40.14 1m6t s ASN 22 CO 0.30 -0.70 1.97 0.00 -2.94 0.00 0.00 177.10 175.73 1m6t h ALA 23 N 2.91 1.46 -0.88 3.54 0.00 -1.88 -2.72 119.26 121.69 1m6t h ALA 23 Ca -0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1m6t h ALA 23 Cb 1.18 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1m6t h ALA 23 CO 0.60 0.47 0.51 0.00 0.00 0.00 0.00 179.25 180.83 1m6t h ALA 24 N 1.54 1.12 -0.58 0.00 0.00 -1.97 0.18 119.26 119.55 1m6t h ALA 24 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1m6t h ALA 24 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1m6t h ALA 24 CO -0.05 0.59 0.00 1.96 0.00 0.00 0.00 179.25 181.76 1m6t h GLN 25 N 1.21 1.01 -0.43 0.00 4.20 -1.92 -0.83 115.11 118.35 1m6t h GLN 25 Ca 0.31 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1m6t h GLN 25 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1m6t h GLN 25 CO -0.06 1.00 0.09 0.28 -0.67 0.00 0.00 178.83 179.48 1m6t h VAL 26 N 0.90 1.24 -0.38 -0.54 2.07 -1.21 -2.17 116.25 116.16 1m6t h VAL 26 Ca 0.16 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1m6t h VAL 26 Cb 0.54 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1m6t h VAL 26 CO 0.03 0.29 0.24 0.11 0.02 0.00 0.00 177.57 178.26 1m6t h LYS 27 N 0.57 0.47 -0.72 1.57 1.57 -0.42 -0.55 116.57 119.06 1m6t h LYS 27 Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1m6t h LYS 27 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1m6t h LYS 27 CO 0.00 0.31 0.40 -0.44 -0.57 0.00 0.00 179.45 179.15 1m6t h ASP 28 N 0.48 0.89 -0.33 0.86 3.32 -1.06 -0.51 116.42 120.07 1m6t h ASP 28 Ca 0.14 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1m6t h ASP 28 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1m6t h ASP 28 CO -0.05 0.73 0.03 0.00 -1.72 0.00 0.00 179.24 178.23 1m6t h ALA 29 N 1.20 0.44 -0.65 3.45 0.00 -1.09 -2.36 119.26 120.25 1m6t h ALA 29 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1m6t h ALA 29 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1m6t h ALA 29 CO -0.04 0.17 0.42 -0.07 0.00 0.00 0.00 179.25 179.72 1m6t h LEU 30 N 0.38 0.76 -0.38 0.00 3.38 -0.90 -0.82 115.31 117.73 1m6t h LEU 30 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1m6t h LEU 30 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1m6t h LEU 30 CO 0.01 0.56 0.23 0.74 0.09 0.00 0.00 178.44 180.08 1m6t h THR 31 N 0.89 1.06 -0.42 0.22 2.02 -0.69 0.14 112.91 116.13 1m6t h THR 31 Ca 0.24 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1m6t h THR 31 Cb -0.08 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1m6t h THR 31 CO -0.05 0.09 -0.01 0.11 0.37 0.00 0.00 175.52 176.02 1m6t h LYS 32 N 0.47 0.68 -0.44 6.66 1.79 -0.84 -1.89 116.57 123.01 1m6t h LYS 32 Ca 0.14 -0.17 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1m6t h LYS 32 Cb -0.02 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1m6t h LYS 32 CO -0.05 0.71 -0.24 0.52 -1.08 0.00 0.00 179.45 179.31 1m6t h MET 33 N 0.64 0.92 -0.35 3.15 2.86 -0.63 -1.41 114.93 120.11 1m6t h MET 33 Ca 0.13 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1m6t h MET 33 Cb 0.42 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1m6t h MET 33 CO 0.02 1.05 0.12 -0.09 1.06 0.00 0.00 176.91 179.07 1m6t h ARG 34 N 0.79 0.54 -0.75 1.72 2.43 -0.33 0.16 114.38 118.95 1m6t h ARG 34 Ca 0.10 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1m6t h ARG 34 Cb 0.80 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1m6t h ARG 34 CO 0.07 0.56 0.40 0.00 -1.51 0.00 0.00 179.97 179.49 1m6t h ALA 35 N 0.96 0.96 -0.49 2.80 0.00 -1.27 -0.93 119.26 121.28 1m6t h ALA 35 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1m6t h ALA 35 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1m6t h ALA 35 CO -0.01 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1m6t h ALA 36 N 1.21 0.65 -0.65 0.00 0.00 -1.01 -2.34 119.26 117.12 1m6t h ALA 36 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1m6t h ALA 36 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1m6t h ALA 36 CO -0.04 0.35 0.14 0.00 0.00 0.00 0.00 179.25 179.70 1m6t h ALA 37 N 0.98 1.01 -0.54 0.00 0.00 -0.68 -1.05 119.26 119.00 1m6t h ALA 37 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1m6t h ALA 37 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1m6t h ALA 37 CO 0.00 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 180.03 1m6t h LEU 38 N 0.99 0.71 -0.05 0.00 3.38 -0.95 -0.88 115.31 118.50 1m6t h LEU 38 Ca 0.20 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1m6t h LEU 38 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1m6t h LEU 38 CO 0.00 0.64 -0.26 0.44 0.09 0.00 0.00 178.44 179.36 1m6t h ASP 39 N 0.77 0.31 -0.66 -0.43 3.32 -1.06 -3.24 116.42 115.43 1m6t h ASP 39 Ca 0.18 -0.66 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1m6t h ASP 39 Cb 0.17 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1m6t h ASP 39 CO -0.02 0.92 0.44 0.00 -1.72 0.00 0.00 179.24 178.86 1m6t h ALA 40 N 0.40 1.62 0.00 3.45 0.00 -1.03 -1.61 119.26 122.08 1m6t h ALA 40 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1m6t h ALA 40 Cb 0.92 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1m6t h ALA 40 CO 0.05 0.32 -0.01 0.37 0.00 0.00 0.00 179.25 179.99 1m6t h GLN 41 N 0.81 0.00 -0.01 0.00 4.15 -1.19 -1.77 115.11 117.09 1m6t h GLN 41 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1m6t h GLN 41 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1m6t h GLN 41 CO -0.07 0.01 -0.39 1.63 -1.93 0.00 0.00 178.83 178.08 1m6t n LYS 42 N -3.52 1.01 -2.30 1.69 5.02 -0.61 -4.79 118.16 114.66 1m6t n LYS 42 Ca -0.03 -0.74 -0.25 0.00 -2.02 0.00 0.00 58.31 55.27 1m6t n LYS 42 Cb 0.09 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1m6t n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m6t s ALA 43 N -2.50 3.27 -0.24 7.82 0.00 -0.67 -4.88 121.76 124.57 1m6t s ALA 43 Ca 0.21 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1m6t s ALA 43 Cb 0.19 -2.45 0.05 0.00 0.00 0.00 0.00 23.12 20.91 1m6t s ALA 43 CO 0.55 -1.32 -0.11 0.99 0.00 0.00 0.00 175.76 175.87 1m6t s THR 44 N -3.21 1.97 0.70 0.00 2.01 -1.26 -5.04 115.64 110.81 1m6t s THR 44 Ca 0.62 -1.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 1m6t s THR 44 Cb -0.09 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1m6t s THR 44 CO 0.44 0.07 1.25 -2.16 -0.69 0.00 0.00 174.62 173.53 1m6t s PRO 45 N 1.22 2.25 0.29 4.92 0.04 -1.26 -4.81 135.00 137.65 1m6t s PRO 45 Ca -0.05 1.93 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1m6t s PRO 45 Cb -0.18 -1.83 0.71 0.00 0.04 0.00 0.00 34.50 33.24 1m6t s PRO 45 CO -0.07 -1.79 1.73 -1.00 0.04 0.00 0.00 177.00 175.91 1m6t h PRO 46 N 0.04 0.52 0.00 0.56 0.13 -1.97 -0.94 132.00 130.33 1m6t h PRO 46 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1m6t h PRO 46 Cb 1.32 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1m6t h PRO 46 CO 0.51 0.34 0.00 1.63 -0.23 0.00 0.00 178.00 180.25 1m6t n LYS 47 N -4.94 0.11 -0.05 0.86 4.76 -1.21 -3.00 118.16 114.69 1m6t n LYS 47 Ca 0.22 0.17 0.02 0.00 -2.87 0.00 0.00 58.31 55.84 1m6t n LYS 47 Cb 0.61 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.34 1m6t n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1m6t n LEU 48 N -1.41 2.17 0.03 -0.35 4.77 -0.37 -4.71 117.00 117.13 1m6t n LEU 48 Ca 0.06 -1.89 0.03 0.00 -0.03 0.00 0.00 56.01 54.19 1m6t n LEU 48 Cb 0.18 -0.06 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 1m6t n LEU 48 CO 0.15 0.54 1.09 -0.33 -1.33 0.00 0.00 177.39 177.51 1m6t h GLU 49 N 0.62 0.48 0.00 3.23 5.08 -1.43 -1.38 114.58 121.18 1m6t h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1m6t h GLU 49 Cb 0.52 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1m6t h GLU 49 CO 0.00 0.37 -0.24 -0.40 -1.00 0.00 0.00 179.01 177.75 1m6t n ASP 50 N -4.43 0.55 -4.88 1.42 5.75 -1.26 -4.88 116.55 108.82 1m6t n ASP 50 Ca 0.02 0.32 -0.30 0.00 -0.01 0.00 0.00 54.79 54.82 1m6t n ASP 50 Cb 0.11 -0.32 0.02 0.00 -1.03 0.00 0.00 41.12 39.90 1m6t n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1m6t s LYS 51 N -3.08 3.38 0.40 0.11 -0.14 -0.52 -5.04 119.74 114.84 1m6t s LYS 51 Ca 0.10 0.57 -0.25 0.00 -1.36 0.00 0.00 55.97 55.03 1m6t s LYS 51 Cb 0.15 -2.11 -0.09 0.00 -1.68 0.00 0.00 37.83 34.10 1m6t s LYS 51 CO 0.63 -0.64 1.10 0.45 -0.76 0.00 0.00 175.35 176.13 1m6t s SER 52 N -4.22 6.65 0.44 2.83 0.15 -1.26 -4.90 113.70 113.39 1m6t s SER 52 Ca 0.55 2.19 0.30 0.00 0.70 0.00 0.00 55.95 59.69 1m6t s SER 52 Cb -0.11 -2.60 1.55 0.00 -1.71 0.00 0.00 66.02 63.16 1m6t s SER 52 CO 0.52 -0.57 1.93 -0.65 1.20 0.00 0.00 173.24 175.66 1m6t h PRO 53 N 2.60 0.00 -0.43 5.44 0.11 -1.96 -0.34 132.00 137.42 1m6t h PRO 53 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m6t h PRO 53 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1m6t h PRO 53 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 1m6t n ASP 54 N -2.60 3.19 -4.69 -2.05 9.92 -1.26 -4.69 116.55 114.37 1m6t n ASP 54 Ca -0.01 -1.96 -0.31 0.00 -0.53 0.00 0.00 54.79 51.98 1m6t n ASP 54 Cb 0.11 -0.29 0.15 0.00 -0.64 0.00 0.00 41.12 40.45 1m6t n ASP 54 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1m6t s SER 55 N -1.04 3.17 0.43 -2.24 1.04 -0.14 -4.77 113.70 110.15 1m6t s SER 55 Ca 0.31 2.18 0.11 0.00 0.48 0.00 0.00 55.95 59.03 1m6t s SER 55 Cb 0.17 -2.57 0.94 0.00 0.10 0.00 0.00 66.02 64.66 1m6t s SER 55 CO 0.22 -2.94 2.02 -0.65 0.98 0.00 0.00 173.24 172.88 1m6t h PRO 56 N -1.65 0.26 -0.13 4.02 0.11 -1.95 -1.45 132.00 131.21 1m6t h PRO 56 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1m6t h PRO 56 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m6t h PRO 56 CO 0.43 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.42 1m6t h GLU 57 N 0.26 0.24 -0.25 1.05 3.07 -1.92 -0.22 114.58 116.80 1m6t h GLU 57 Ca 0.06 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1m6t h GLU 57 Cb 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1m6t h GLU 57 CO -0.00 0.47 -0.08 0.52 -1.40 0.00 0.00 179.01 178.52 1m6t h MET 58 N -0.03 0.40 -0.18 2.33 2.86 -1.73 0.33 114.93 118.91 1m6t h MET 58 Ca 0.04 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1m6t h MET 58 Cb 0.36 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1m6t h MET 58 CO 0.01 0.49 -0.51 0.87 1.06 0.00 0.00 176.91 178.83 1m6t h LYS 59 N 0.38 0.49 -0.21 1.72 1.57 -1.12 -0.60 116.57 118.80 1m6t h LYS 59 Ca 0.08 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1m6t h LYS 59 Cb 0.38 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1m6t h LYS 59 CO 0.02 0.88 -0.13 0.22 -0.57 0.00 0.00 179.45 179.87 1m6t h ASP 60 N 0.38 0.47 -0.21 0.86 3.58 -0.31 0.01 116.42 121.21 1m6t h ASP 60 Ca 0.02 -0.43 0.04 0.00 0.42 0.00 0.00 57.03 57.08 1m6t h ASP 60 Cb 1.02 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 1m6t h ASP 60 CO 0.09 0.80 -0.06 0.15 -2.88 0.00 0.00 179.24 177.34 1m6t h PHE 61 N 0.15 -0.14 -0.31 0.28 3.57 -0.19 -1.41 116.94 118.89 1m6t h PHE 61 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1m6t h PHE 61 Cb 0.64 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1m6t h PHE 61 CO 0.07 -0.11 -0.25 0.00 -2.23 0.00 0.00 178.31 175.79 1m6t h ARG 62 N -0.02 0.60 -0.20 1.11 3.08 -1.04 -2.94 114.38 114.97 1m6t h ARG 62 Ca 0.11 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1m6t h ARG 62 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1m6t h ARG 62 CO -0.23 0.80 -0.25 1.25 -1.07 0.00 0.00 179.97 180.46 1m6t h HIS 63 N 0.53 0.42 -0.85 3.04 2.76 -0.60 -1.88 115.15 118.57 1m6t h HIS 63 Ca 0.07 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1m6t h HIS 63 Cb 0.70 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 1m6t h HIS 63 CO 0.03 0.61 0.56 0.78 -1.30 0.00 0.00 177.93 178.61 1m6t h GLY 64 N 1.01 1.21 1.93 5.26 0.00 -1.08 0.08 103.07 111.48 1m6t h GLY 64 Ca 0.05 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 1m6t h GLY 64 CO 0.05 0.41 -0.67 0.74 0.00 0.00 0.00 176.54 177.07 1m6t h PHE 65 N 1.13 0.09 -0.65 5.60 0.04 -1.39 0.02 116.94 121.78 1m6t h PHE 65 Ca 0.32 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.97 1m6t h PHE 65 Cb -0.08 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 1m6t h PHE 65 CO -0.00 0.72 0.08 -0.44 -0.60 0.00 0.00 178.31 178.06 1m6t h ASP 66 N 0.05 1.06 -0.38 2.17 3.32 -0.48 0.19 116.42 122.34 1m6t h ASP 66 Ca -0.01 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1m6t h ASP 66 Cb 1.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1m6t h ASP 66 CO 0.09 1.07 0.02 0.40 -1.72 0.00 0.00 179.24 179.10 1m6t h ILE 67 N 1.02 1.25 -0.01 0.35 2.04 -0.73 -0.46 117.51 120.98 1m6t h ILE 67 Ca 0.20 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1m6t h ILE 67 Cb 0.48 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1m6t h ILE 67 CO 0.02 0.32 0.00 -0.07 0.00 0.00 0.00 178.15 178.43 1m6t h LEU 68 N 0.49 0.01 -1.25 1.44 3.38 -0.70 -0.25 115.31 118.42 1m6t h LEU 68 Ca 0.11 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1m6t h LEU 68 Cb 0.44 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1m6t h LEU 68 CO 0.02 0.04 0.52 0.58 0.09 0.00 0.00 178.44 179.69 1m6t h VAL 69 N -0.03 1.12 -0.51 1.22 2.07 -0.56 0.12 116.25 119.67 1m6t h VAL 69 Ca 0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1m6t h VAL 69 Cb 0.04 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1m6t h VAL 69 CO -0.00 0.18 0.25 1.23 0.02 0.00 0.00 177.57 179.25 1m6t h GLY 70 N 0.98 0.79 1.37 2.17 0.00 -0.45 0.52 103.07 108.45 1m6t h GLY 70 Ca 0.32 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1m6t h GLY 70 CO -0.09 0.37 -0.25 1.46 0.00 0.00 0.00 176.54 178.03 1m6t h GLN 71 N 0.69 0.72 -0.59 4.80 4.20 -0.07 -1.66 115.11 123.21 1m6t h GLN 71 Ca 0.18 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1m6t h GLN 71 Cb 0.11 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1m6t h GLN 71 CO -0.02 0.90 0.21 0.82 -0.67 0.00 0.00 178.83 180.06 1m6t h ILE 72 N 0.63 1.24 -0.41 2.54 2.04 -0.49 -1.13 117.51 121.93 1m6t h ILE 72 Ca 0.08 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1m6t h ILE 72 Cb 0.75 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1m6t h ILE 72 CO 0.06 0.29 -0.02 0.44 0.00 0.00 0.00 178.15 178.93 1m6t h ASP 73 N 0.82 0.63 -0.52 1.72 3.32 -0.64 0.10 116.42 121.85 1m6t h ASP 73 Ca 0.19 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1m6t h ASP 73 Cb 0.25 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1m6t h ASP 73 CO -0.01 0.71 -0.01 0.44 -1.72 0.00 0.00 179.24 178.65 1m6t h ASP 74 N 0.62 0.93 -0.03 6.45 3.32 -0.93 -0.97 116.42 125.81 1m6t h ASP 74 Ca 0.12 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 1m6t h ASP 74 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1m6t h ASP 74 CO 0.02 0.99 -0.46 0.00 -1.72 0.00 0.00 179.24 178.07 1m6t h ALA 75 N 1.11 0.78 -0.73 3.45 0.00 -0.55 -2.83 119.26 120.49 1m6t h ALA 75 Ca 0.16 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1m6t h ALA 75 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1m6t h ALA 75 CO 0.03 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 180.08 1m6t h LEU 76 N 0.46 1.08 -0.65 0.00 3.38 -0.40 -0.68 115.31 118.51 1m6t h LEU 76 Ca 0.03 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1m6t h LEU 76 Cb 0.98 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1m6t h LEU 76 CO 0.09 1.01 0.39 0.50 0.09 0.00 0.00 178.44 180.52 1m6t h LYS 77 N 1.09 0.87 -0.18 1.13 3.64 -1.07 0.12 116.57 122.18 1m6t h LYS 77 Ca 0.23 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1m6t h LYS 77 Cb 0.33 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1m6t h LYS 77 CO -0.00 0.62 0.08 -0.07 -2.27 0.00 0.00 179.45 177.81 1m6t h LEU 78 N 0.88 0.24 -1.11 5.20 3.38 -1.23 -2.35 115.31 120.32 1m6t h LEU 78 Ca 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1m6t h LEU 78 Cb -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1m6t h LEU 78 CO -0.04 0.31 0.42 0.00 0.09 0.00 0.00 178.44 179.22 1m6t h ALA 79 N 0.94 1.33 0.00 1.53 0.00 -0.79 -1.02 119.26 121.24 1m6t h ALA 79 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1m6t h ALA 79 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1m6t h ALA 79 CO -0.01 0.56 0.00 -0.91 0.00 0.00 0.00 179.25 178.89 1m6t h ASN 80 N 1.05 0.00 -0.04 0.00 4.21 -0.51 -1.38 115.58 118.92 1m6t h ASN 80 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1m6t h ASN 80 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1m6t h ASN 80 CO -0.05 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.47 1m6t n GLU 81 N -2.69 2.04 -0.61 0.81 1.02 -0.50 -4.94 120.64 115.77 1m6t n GLU 81 Ca 0.01 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 1m6t n GLU 81 Cb 0.25 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1m6t n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m6t n GLY 82 N 1.28 0.75 2.94 0.62 0.00 -0.52 -4.98 105.19 105.27 1m6t n GLY 82 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1m6t n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m6t n LYS 83 N -2.33 3.27 0.08 1.61 5.02 -0.52 -4.82 118.16 120.47 1m6t n LYS 83 Ca 0.00 -3.19 -0.13 0.00 -2.02 0.00 0.00 58.31 52.97 1m6t n LYS 83 Cb 0.00 -3.12 -0.06 0.00 -0.02 0.00 0.00 35.03 31.82 1m6t n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1m6t h VAL 84 N 4.09 0.23 -0.68 -0.18 2.07 -1.89 -0.70 116.25 119.20 1m6t h VAL 84 Ca 0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.03 1m6t h VAL 84 Cb 0.68 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1m6t h VAL 84 CO 1.67 0.00 0.38 0.11 0.02 0.00 0.00 177.57 179.76 1m6t h LYS 85 N -0.56 0.69 -0.54 1.57 1.79 -1.98 0.43 116.57 117.97 1m6t h LYS 85 Ca 0.04 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1m6t h LYS 85 Cb 0.62 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1m6t h LYS 85 CO -0.26 0.45 -0.03 0.93 -1.08 0.00 0.00 179.45 179.46 1m6t h GLU 86 N 0.71 0.94 -0.52 3.15 5.08 -1.91 -1.25 114.58 120.78 1m6t h GLU 86 Ca 0.30 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1m6t h GLU 86 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1m6t h GLU 86 CO -0.18 0.95 -0.10 0.00 -1.00 0.00 0.00 179.01 178.68 1m6t h ALA 87 N 1.10 0.83 -0.65 3.43 0.00 -0.56 -0.81 119.26 122.60 1m6t h ALA 87 Ca 0.15 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1m6t h ALA 87 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1m6t h ALA 87 CO 0.03 0.66 0.07 1.96 0.00 0.00 0.00 179.25 181.97 1m6t h GLN 88 N 0.87 1.10 -0.59 0.00 4.20 -0.68 -1.19 115.11 118.82 1m6t h GLN 88 Ca 0.14 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1m6t h GLN 88 Cb 0.65 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1m6t h GLN 88 CO 0.05 1.03 0.22 0.00 -0.67 0.00 0.00 178.83 179.45 1m6t h ALA 89 N 1.04 0.77 -0.72 3.87 0.00 -0.95 -2.66 119.26 120.61 1m6t h ALA 89 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1m6t h ALA 89 Cb 0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1m6t h ALA 89 CO 0.02 0.41 0.48 0.00 0.00 0.00 0.00 179.25 180.16 1m6t h ALA 90 N 1.07 0.91 0.00 0.00 0.00 -0.77 -2.37 119.26 118.10 1m6t h ALA 90 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1m6t h ALA 90 Cb 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1m6t h ALA 90 CO -0.01 0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1m6t h ALA 91 N 1.26 1.75 0.00 0.00 0.00 -0.90 -2.02 119.26 119.35 1m6t h ALA 91 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1m6t h ALA 91 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1m6t h ALA 91 CO -0.06 0.15 0.00 0.93 0.00 0.00 0.00 179.25 180.27 1m6t h GLU 92 N 0.00 0.00 -0.01 0.00 5.08 -1.11 -2.57 114.58 115.98 1m6t h GLU 92 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1m6t h GLU 92 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1m6t h GLU 92 CO 0.02 0.00 -0.26 1.04 -1.00 0.00 0.00 179.01 178.80 1m6t n GLN 93 N -2.62 0.80 -0.24 2.33 1.13 -0.76 -4.17 117.38 113.86 1m6t n GLN 93 Ca -0.00 -0.47 -0.08 0.00 -1.94 0.00 0.00 57.00 54.51 1m6t n GLN 93 Cb 0.18 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.07 1m6t n GLN 93 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1m6t h LEU 94 N 1.14 1.08 -1.81 1.08 3.38 -1.59 -2.86 115.31 115.73 1m6t h LEU 94 Ca 0.00 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1m6t h LEU 94 Cb 0.50 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1m6t h LEU 94 CO 0.00 1.07 0.29 0.07 0.09 0.00 0.00 178.44 179.96 1m6t h LYS 95 N 1.04 0.22 -0.43 1.13 2.10 -1.78 -1.69 116.57 117.15 1m6t h LYS 95 Ca 0.20 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.83 1m6t h LYS 95 Cb 0.46 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1m6t h LYS 95 CO 0.02 0.14 0.23 1.15 -2.00 0.00 0.00 179.45 178.99 1m6t h THR 96 N 0.22 1.16 -0.27 0.07 2.02 -1.77 -1.61 112.91 112.74 1m6t h THR 96 Ca 0.19 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 1m6t h THR 96 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1m6t h THR 96 CO -0.04 0.17 -0.15 0.74 0.37 0.00 0.00 175.52 176.62 1m6t h THR 97 N 0.56 1.30 -0.31 3.16 2.02 -1.42 -2.87 112.91 115.35 1m6t h THR 97 Ca 0.15 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.08 1m6t h THR 97 Cb 0.08 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1m6t h THR 97 CO -0.02 0.40 0.18 0.03 0.37 0.00 0.00 175.52 176.48 1m6t h ARG 98 N 0.31 0.37 -0.58 6.66 3.08 -1.24 -0.43 114.38 122.55 1m6t h ARG 98 Ca 0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1m6t h ARG 98 Cb 0.68 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1m6t h ARG 98 CO 0.04 0.24 0.18 -0.91 -1.07 0.00 0.00 179.97 178.46 1m6t h ASN 99 N 0.38 0.84 0.48 7.04 2.35 -1.33 -0.38 115.58 124.95 1m6t h ASN 99 Ca 0.12 -0.20 -0.22 0.00 -0.55 0.00 0.00 56.30 55.45 1m6t h ASN 99 Cb -0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1m6t h ASN 99 CO -0.06 0.83 -0.94 0.00 -1.65 0.00 0.00 177.43 175.61 1m6t h ALA 100 N 1.05 0.41 0.00 -0.83 0.00 -1.37 -3.32 119.26 115.21 1m6t h ALA 100 Ca 0.19 -0.73 -0.34 0.00 0.00 0.00 0.00 54.91 54.03 1m6t h ALA 100 Cb 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1m6t h ALA 100 CO -0.01 0.88 -1.90 0.66 0.00 0.00 0.00 179.25 178.88 1m6t n TYR 101 N -3.69 0.44 -0.05 0.00 4.02 -0.18 -4.79 117.16 112.92 1m6t n TYR 101 Ca -0.05 0.19 -0.18 0.00 -0.01 0.00 0.00 57.90 57.85 1m6t n TYR 101 Cb 0.84 -1.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.01 1m6t n TYR 101 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1m6t n ILE 102 N -4.35 1.65 -0.29 -0.72 -0.00 -0.40 -4.54 119.36 110.72 1m6t n ILE 102 Ca -0.42 -0.66 0.09 0.00 -0.00 0.00 0.00 62.75 61.76 1m6t n ILE 102 Cb 0.77 -1.48 0.25 0.00 -0.00 0.00 0.00 39.64 39.18 1m6t n ILE 102 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1m6t h GLN 103 N 0.04 0.43 0.00 0.38 5.75 -1.22 -1.11 115.11 119.38 1m6t h GLN 103 Ca -0.47 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1m6t h GLN 103 Cb 2.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.46 1m6t h GLN 103 CO 0.03 0.29 0.00 1.57 -2.65 0.00 0.00 178.83 178.06 1m6t h LYS 104 N 0.45 0.00 -0.67 1.69 2.10 -1.80 -2.44 116.57 115.90 1m6t h LYS 104 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1m6t h LYS 104 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1m6t h LYS 104 CO -0.46 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.65 1m6t n TYR 105 N -2.41 1.19 0.11 0.07 4.01 -0.42 -5.02 117.16 114.69 1m6t n TYR 105 Ca -0.02 -0.51 0.01 0.00 -0.16 0.00 0.00 57.90 57.22 1m6t n TYR 105 Cb 0.05 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1m6t n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68