#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctq s SER 2 N 0.00 1.69 0.12 1.61 0.01 -1.26 -5.14 113.70 110.73 2ctq s SER 2 Ca 0.00 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 56.97 2ctq s SER 2 Cb 0.00 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.85 2ctq s SER 2 CO 0.00 -0.22 0.33 -0.44 0.41 0.00 0.00 173.24 173.31 2ctq s SER 3 N 2.00 -0.09 0.00 2.44 0.01 -1.26 -5.04 113.70 111.76 2ctq s SER 3 Ca 0.04 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2ctq s SER 3 Cb -0.13 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2ctq s SER 3 CO -0.05 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2ctq n GLY 4 N -0.18 0.68 3.83 3.44 0.00 -1.26 -5.17 105.19 106.55 2ctq n GLY 4 Ca -0.15 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 2ctq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctq s SER 5 N 0.00 -0.24 -0.26 1.61 0.01 -1.26 -5.09 113.70 108.47 2ctq s SER 5 Ca 0.00 -0.64 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 2ctq s SER 5 Cb 0.00 0.72 -0.11 0.00 0.21 0.00 0.00 66.02 66.84 2ctq s SER 5 CO 0.00 -1.33 -0.35 -1.20 0.41 0.00 0.00 173.24 170.77 2ctq n SER 6 N -0.45 1.92 0.00 2.44 7.64 -1.26 -5.05 113.62 118.86 2ctq n SER 6 Ca -0.04 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2ctq n SER 6 Cb 0.59 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2ctq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctq n GLY 7 N 1.32 2.02 0.54 0.23 0.00 -1.26 -4.42 105.19 103.62 2ctq n GLY 7 Ca -0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 2ctq n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ctq n MET 8 N 14.00 0.03 -2.20 1.61 2.81 -1.26 -4.95 117.12 127.16 2ctq n MET 8 Ca 0.00 0.01 -0.39 0.00 -1.81 0.00 0.00 57.70 55.51 2ctq n MET 8 Cb 0.00 -0.76 -0.03 0.00 -0.71 0.00 0.00 33.22 31.72 2ctq n MET 8 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2ctq s ASP 9 N -4.69 5.57 -0.62 7.83 1.01 -1.26 -4.84 116.67 119.67 2ctq s ASP 9 Ca -0.02 0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 2ctq s ASP 9 Cb 0.01 -2.54 0.48 0.00 1.01 0.00 0.00 42.92 41.88 2ctq s ASP 9 CO 0.03 -2.18 1.99 0.00 0.21 0.00 0.00 175.17 175.21 2ctq n ALA 10 N 11.61 6.17 -2.55 5.23 0.00 -1.26 -4.94 120.51 134.78 2ctq n ALA 10 Ca 0.15 -3.40 -0.41 0.00 0.00 0.00 0.00 53.44 49.78 2ctq n ALA 10 Cb 0.51 -1.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 2ctq n ALA 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ctq s ILE 11 N -4.58 5.12 1.05 0.00 1.09 -1.26 -5.06 121.20 117.55 2ctq s ILE 11 Ca 0.63 0.16 -0.15 0.00 -1.10 0.00 0.00 60.65 60.20 2ctq s ILE 11 Cb 0.50 -3.86 0.11 0.00 -1.06 0.00 0.00 42.46 38.15 2ctq s ILE 11 CO 0.01 -0.11 0.40 0.00 -0.10 0.00 0.00 174.94 175.13 2ctq n LEU 12 N 5.48 -0.89 -4.56 2.97 -0.00 -1.26 -4.80 117.00 113.94 2ctq n LEU 12 Ca -0.08 0.09 -0.35 0.00 -0.00 0.00 0.00 56.01 55.68 2ctq n LEU 12 Cb 0.49 -1.14 -0.04 0.00 -0.00 0.00 0.00 43.42 42.74 2ctq n LEU 12 CO 0.41 -3.24 1.50 0.21 -0.00 0.00 0.00 177.39 176.28 2ctq s ASN 13 N -2.06 5.90 0.13 1.45 3.84 -1.26 -4.96 114.94 117.98 2ctq s ASN 13 Ca 0.59 -1.34 -0.30 0.00 0.21 0.00 0.00 52.86 52.02 2ctq s ASN 13 Cb -0.18 -2.57 -0.06 0.00 -0.55 0.00 0.00 41.25 37.89 2ctq s ASN 13 CO 0.66 -2.08 0.99 -0.47 -2.79 0.00 0.00 177.10 173.40 2ctq s TYR 14 N 7.37 3.78 0.07 0.43 6.14 -1.26 -5.05 117.35 128.83 2ctq s TYR 14 Ca 0.58 1.76 0.07 0.00 0.64 0.00 0.00 57.07 60.12 2ctq s TYR 14 Cb -0.02 -3.09 -0.03 0.00 0.42 0.00 0.00 41.96 39.24 2ctq s TYR 14 CO -0.02 0.06 -0.19 0.50 0.64 0.00 0.00 175.55 176.55 2ctq s ARG 15 N -0.09 1.10 0.45 4.97 6.06 -1.26 -5.16 118.95 125.02 2ctq s ARG 15 Ca 0.47 -1.01 0.07 0.00 -2.50 0.00 0.00 55.73 52.76 2ctq s ARG 15 Cb -0.25 -1.24 -0.02 0.00 0.06 0.00 0.00 34.95 33.50 2ctq s ARG 15 CO 0.31 0.30 0.27 -1.54 -2.50 0.00 0.00 175.30 172.13 2ctq s SER 16 N -1.58 4.60 -1.51 -2.12 1.04 -1.26 -4.64 113.70 108.23 2ctq s SER 16 Ca 0.04 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 2ctq s SER 16 Cb -0.09 -0.26 0.19 0.00 0.10 0.00 0.00 66.02 65.95 2ctq s SER 16 CO 0.03 -0.70 0.48 -0.62 0.98 0.00 0.00 173.24 173.40 2ctq n GLU 17 N -1.42 -0.77 -1.79 4.02 -0.58 -1.26 -4.87 120.64 113.97 2ctq n GLU 17 Ca -0.01 0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 2ctq n GLU 17 Cb 0.64 -3.77 0.16 0.00 -0.57 0.00 0.00 31.44 27.90 2ctq n GLU 17 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctq n ASP 18 N -1.81 0.31 -3.21 1.62 5.68 -1.26 -4.87 116.55 113.01 2ctq n ASP 18 Ca 0.10 -1.54 -0.46 0.00 -0.50 0.00 0.00 54.79 52.39 2ctq n ASP 18 Cb 0.36 -0.82 -0.08 0.00 -1.14 0.00 0.00 41.12 39.44 2ctq n ASP 18 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2ctq n THR 19 N -3.41 0.00 -0.01 2.12 -1.04 -1.26 -4.83 114.28 105.86 2ctq n THR 19 Ca 0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 2ctq n THR 19 Cb 0.51 -0.35 -0.14 0.00 -1.82 0.00 0.00 70.33 68.53 2ctq n THR 19 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ctq h GLU 20 N 4.78 0.22 -0.32 -2.82 5.08 -1.99 -3.48 114.58 116.05 2ctq h GLU 20 Ca -0.21 -0.37 0.25 0.00 -1.00 0.00 0.00 59.36 58.03 2ctq h GLU 20 Cb 0.99 0.14 -0.22 0.00 0.50 0.00 0.00 28.75 30.15 2ctq h GLU 20 CO 0.73 1.18 0.24 0.34 -1.00 0.00 0.00 179.01 180.49 2ctq s ASP 21 N -7.02 -0.34 0.26 1.42 2.15 -1.26 -4.97 116.67 106.91 2ctq s ASP 21 Ca -0.22 0.27 0.11 0.00 0.43 0.00 0.00 52.55 53.14 2ctq s ASP 21 Cb 0.05 1.31 0.86 0.00 -0.30 0.00 0.00 42.92 44.84 2ctq s ASP 21 CO 0.74 -0.06 1.18 -1.22 -0.17 0.00 0.00 175.17 175.64 2ctq n TYR 22 N 5.29 0.74 -0.05 -5.34 4.01 -1.26 0.23 117.16 120.78 2ctq n TYR 22 Ca -0.08 0.89 -0.15 0.00 -0.16 0.00 0.00 57.90 58.40 2ctq n TYR 22 Cb 0.54 -1.23 -0.07 0.00 -0.31 0.00 0.00 39.34 38.27 2ctq n TYR 22 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2ctq h TYR 23 N 0.00 0.71 -0.08 -0.72 0.05 -1.96 -3.27 116.97 111.71 2ctq h TYR 23 Ca 0.58 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 2ctq h TYR 23 Cb 1.43 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 39.05 2ctq h TYR 23 CO -0.13 1.04 0.04 1.15 -1.05 0.00 0.00 178.16 179.21 2ctq h THR 24 N 0.19 1.09 -0.89 -2.88 2.02 0.25 0.79 112.91 113.48 2ctq h THR 24 Ca -0.01 -0.24 0.22 0.00 0.77 0.00 0.00 66.41 67.15 2ctq h THR 24 Cb 1.04 1.10 -0.16 0.00 -1.74 0.00 0.00 68.15 68.39 2ctq h THR 24 CO 0.09 0.07 0.02 -0.07 0.37 0.00 0.00 175.52 176.01 2ctq h LEU 25 N 0.04 -0.40 -1.65 2.58 3.38 -0.67 0.79 115.31 119.37 2ctq h LEU 25 Ca 0.03 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2ctq h LEU 25 Cb 0.08 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2ctq h LEU 25 CO -0.00 -0.26 -0.05 0.18 0.09 0.00 0.00 178.44 178.40 2ctq n LEU 26 N -5.41 2.61 -3.31 1.67 4.77 -1.10 -4.96 117.00 111.28 2ctq n LEU 26 Ca 0.19 -0.87 -0.24 0.00 -0.03 0.00 0.00 56.01 55.05 2ctq n LEU 26 Cb 0.62 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 2ctq n LEU 26 CO -0.01 0.44 0.01 0.61 -1.33 0.00 0.00 177.39 177.11 2ctq n GLY 27 N 1.32 -0.51 3.62 -0.72 0.00 0.27 -4.69 105.19 104.49 2ctq n GLY 27 Ca 0.14 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 2ctq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctq n ASP 29 N -1.73 -1.04 0.18 0.00 8.00 -1.26 -4.58 116.55 116.11 2ctq n ASP 29 Ca -0.06 -2.63 0.13 0.00 0.71 0.00 0.00 54.79 52.95 2ctq n ASP 29 Cb 0.60 1.99 0.59 0.00 -0.02 0.00 0.00 41.12 44.29 2ctq n ASP 29 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2ctq h GLU 30 N 0.00 0.00 0.00 -1.24 4.11 -2.01 -1.93 114.58 113.51 2ctq h GLU 30 Ca -0.22 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.11 2ctq h GLU 30 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2ctq h GLU 30 CO 0.30 0.00 -0.94 -0.07 0.07 0.00 0.00 179.01 178.38 2ctq h LEU 31 N 0.00 0.00-10.00 3.06 3.38 -2.04 -3.46 115.31 106.24 2ctq h LEU 31 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2ctq h LEU 31 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2ctq h LEU 31 CO 0.00 0.40 0.39 -0.44 0.09 0.00 0.00 178.44 178.88 2ctq s SER 32 N -5.95 6.66 0.11 -0.43 0.01 -0.73 -5.06 113.70 108.32 2ctq s SER 32 Ca 0.01 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.25 2ctq s SER 32 Cb 0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2ctq s SER 32 CO 0.78 -0.56 0.17 -0.44 0.41 0.00 0.00 173.24 173.60 2ctq s SER 33 N -1.75 5.95 0.31 2.44 0.01 -1.26 -4.83 113.70 114.57 2ctq s SER 33 Ca 0.61 0.09 0.04 0.00 1.31 0.00 0.00 55.95 58.00 2ctq s SER 33 Cb -0.19 -1.71 0.81 0.00 0.21 0.00 0.00 66.02 65.14 2ctq s SER 33 CO 0.24 0.12 1.59 0.58 0.41 0.00 0.00 173.24 176.18 2ctq h VAL 34 N 2.11 0.10 -0.04 3.43 2.07 -1.96 0.24 116.25 122.21 2ctq h VAL 34 Ca -0.47 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2ctq h VAL 34 Cb 1.18 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2ctq h VAL 34 CO 0.69 0.01 -0.35 -0.33 0.02 0.00 0.00 177.57 177.61 2ctq h GLU 35 N 0.06 -0.46 -0.38 1.57 3.07 -2.00 0.48 114.58 116.93 2ctq h GLU 35 Ca 0.61 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.46 2ctq h GLU 35 Cb 1.32 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.32 2ctq h GLU 35 CO -0.82 -0.30 0.07 1.96 -1.40 0.00 0.00 179.01 178.51 2ctq h GLN 36 N -0.47 0.62 0.11 2.33 7.50 -1.12 -3.12 115.11 120.96 2ctq h GLN 36 Ca 0.07 -0.16 0.02 0.00 0.50 0.00 0.00 58.65 59.07 2ctq h GLN 36 Cb 0.58 -0.08 -0.05 0.00 0.05 0.00 0.00 27.48 27.99 2ctq h GLN 36 CO -0.31 0.67 -0.51 0.82 -1.50 0.00 0.00 178.83 178.01 2ctq h ILE 37 N 0.47 0.03 -0.99 2.54 2.04 -0.21 -1.14 117.51 120.25 2ctq h ILE 37 Ca 0.12 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.28 2ctq h ILE 37 Cb 0.35 0.03 -0.15 0.00 -0.74 0.00 0.00 36.82 36.31 2ctq h ILE 37 CO 0.01 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.62 2ctq h LEU 38 N -0.73 0.47 -0.40 1.44 3.38 -0.93 0.35 115.31 118.89 2ctq h LEU 38 Ca 0.00 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ctq h LEU 38 Cb 0.75 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2ctq h LEU 38 CO -0.29 -0.12 0.24 0.00 0.09 0.00 0.00 178.44 178.36 2ctq h ALA 39 N 1.84 0.51 -0.34 1.53 0.00 -1.16 -1.83 119.26 119.80 2ctq h ALA 39 Ca 0.71 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.57 2ctq h ALA 39 Cb 1.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2ctq h ALA 39 CO -0.60 -0.08 0.05 0.93 0.00 0.00 0.00 179.25 179.55 2ctq h GLU 40 N 0.50 0.51 0.00 0.00 4.39 0.14 -1.76 114.58 118.36 2ctq h GLU 40 Ca 0.16 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 2ctq h GLU 40 Cb -0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2ctq h GLU 40 CO -0.06 0.50 -0.37 0.35 -1.16 0.00 0.00 179.01 178.26 2ctq h PHE 41 N 0.50 0.00 0.08 4.33 3.57 -0.66 -0.98 116.94 123.77 2ctq h PHE 41 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2ctq h PHE 41 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2ctq h PHE 41 CO 0.01 0.37 -0.04 0.87 -2.23 0.00 0.00 178.31 177.29 2ctq h LYS 42 N 0.00 -0.10 -0.51 1.11 1.57 -0.55 -0.88 116.57 117.21 2ctq h LYS 42 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2ctq h LYS 42 Cb 0.73 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2ctq h LYS 42 CO 0.05 0.37 0.29 -0.39 -0.57 0.00 0.00 179.45 179.20 2ctq h VAL 43 N -0.95 1.15 0.03 0.50 -1.51 -1.39 0.44 116.25 114.53 2ctq h VAL 43 Ca -0.01 -0.37 -0.22 0.00 -1.23 0.00 0.00 66.70 64.87 2ctq h VAL 43 Cb 0.52 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2ctq h VAL 43 CO 0.02 0.17 -0.98 0.03 -1.23 0.00 0.00 177.57 175.57 2ctq h ARG 44 N 0.71 0.23 0.00 5.19 3.08 -1.28 -2.34 114.38 119.97 2ctq h ARG 44 Ca 0.18 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 2ctq h ARG 44 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2ctq h ARG 44 CO -0.03 1.04 -0.58 0.00 -1.07 0.00 0.00 179.97 179.33 2ctq h ALA 45 N 0.85 0.63 0.01 0.04 0.00 -0.53 -3.16 119.26 117.10 2ctq h ALA 45 Ca -0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2ctq h ALA 45 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2ctq h ALA 45 CO 0.15 0.73 -0.06 -0.07 0.00 0.00 0.00 179.25 180.00 2ctq h LEU 46 N 0.00 0.04 -2.49 0.00 3.38 -0.15 -0.33 115.31 115.75 2ctq h LEU 46 Ca -0.01 -0.94 0.01 0.00 0.09 0.00 0.00 57.88 57.04 2ctq h LEU 46 Cb 1.43 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 2ctq h LEU 46 CO 0.08 0.97 0.07 -0.33 0.09 0.00 0.00 178.44 179.32 2ctq h GLU 47 N -0.89 0.00 -0.53 1.13 5.08 -1.53 -2.15 114.58 115.69 2ctq h GLU 47 Ca -0.01 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 2ctq h GLU 47 Cb 0.99 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.85 2ctq h GLU 47 CO 0.01 0.00 -0.92 0.00 -1.00 0.00 0.00 179.01 177.10 2ctq s HIS 49 N -3.43 3.93 0.06 0.00 2.46 -0.14 -4.60 115.29 113.57 2ctq s HIS 49 Ca 0.40 1.84 -0.18 0.00 0.47 0.00 0.00 55.06 57.58 2ctq s HIS 49 Cb 0.37 -2.93 -0.12 0.00 -0.13 0.00 0.00 32.58 29.77 2ctq s HIS 49 CO -0.01 0.43 1.37 -1.00 -2.47 0.00 0.00 174.74 173.06 2ctq h PRO 50 N 4.03 0.47 -0.00 2.88 0.13 -1.83 -2.87 132.00 134.81 2ctq h PRO 50 Ca -0.46 -0.25 0.01 0.00 -0.87 0.00 0.00 66.00 64.43 2ctq h PRO 50 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2ctq h PRO 50 CO 0.67 0.82 -0.15 0.22 -0.23 0.00 0.00 178.00 179.34 2ctq h ASP 51 N 0.14 -0.45 -1.00 1.44 3.58 -1.95 -1.70 116.42 116.47 2ctq h ASP 51 Ca 0.03 0.05 0.22 0.00 0.42 0.00 0.00 57.03 57.75 2ctq h ASP 51 Cb 0.73 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 41.84 2ctq h ASP 51 CO 0.05 -0.14 0.61 0.11 -2.88 0.00 0.00 179.24 176.98 2ctq h LYS 52 N -0.18 0.64 -3.40 0.28 1.79 -1.95 -3.11 116.57 110.65 2ctq h LYS 52 Ca 0.00 -0.04 -0.72 0.00 -2.18 0.00 0.00 60.65 57.72 2ctq h LYS 52 Cb 0.20 -0.15 -0.34 0.00 -1.58 0.00 0.00 32.23 30.36 2ctq h LYS 52 CO -0.10 0.43 -0.08 -1.01 -1.08 0.00 0.00 179.45 177.61 2ctq s HIS 53 N -5.79 3.85 0.92 -1.35 3.76 -0.68 -5.07 115.29 110.92 2ctq s HIS 53 Ca -0.11 -2.90 -0.12 0.00 -0.15 0.00 0.00 55.06 51.79 2ctq s HIS 53 Cb 0.26 -3.32 0.14 0.00 1.11 0.00 0.00 32.58 30.77 2ctq s HIS 53 CO 0.80 -0.79 1.09 -1.25 -0.85 0.00 0.00 174.74 173.75 2ctq s PRO 54 N -1.06 1.05 -1.47 8.40 0.04 -0.98 -3.63 135.00 137.35 2ctq s PRO 54 Ca 0.26 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2ctq s PRO 54 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2ctq s PRO 54 CO -0.10 -2.37 0.00 0.39 0.04 0.00 0.00 177.00 174.96 2ctq n GLU 55 N -3.96 -1.89 -3.63 4.56 4.71 -1.26 -4.93 120.64 114.24 2ctq n GLU 55 Ca 0.07 0.83 -0.29 0.00 -0.01 0.00 0.00 57.16 57.75 2ctq n GLU 55 Cb 0.56 -5.43 -0.14 0.00 -1.01 0.00 0.00 31.44 25.42 2ctq n GLU 55 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2ctq s ASN 56 N -2.08 3.62 0.23 1.62 2.47 -1.24 -4.99 114.94 114.58 2ctq s ASN 56 Ca 0.00 -1.88 0.00 0.00 0.42 0.00 0.00 52.86 51.40 2ctq s ASN 56 Cb 0.00 -0.69 0.25 0.00 -1.45 0.00 0.00 41.25 39.36 2ctq s ASN 56 CO 0.00 -0.37 1.60 1.55 -3.72 0.00 0.00 177.10 176.16 2ctq h PRO 57 N 7.66 0.48 -0.89 0.43 0.13 -1.91 -3.17 132.00 134.72 2ctq h PRO 57 Ca -0.08 -0.25 0.23 0.00 -0.87 0.00 0.00 66.00 65.03 2ctq h PRO 57 Cb 0.99 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.99 2ctq h PRO 57 CO 0.42 0.83 0.33 0.87 -0.23 0.00 0.00 178.00 180.22 2ctq h LYS 58 N 0.39 0.29 -0.29 0.86 1.79 -1.98 0.13 116.57 117.76 2ctq h LYS 58 Ca 0.03 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2ctq h LYS 58 Cb 0.93 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2ctq h LYS 58 CO 0.08 0.19 -0.19 0.00 -1.08 0.00 0.00 179.45 178.46 2ctq h ALA 59 N 1.75 0.42 -0.89 3.86 0.00 -1.84 -2.96 119.26 119.60 2ctq h ALA 59 Ca 0.57 -0.35 0.18 0.00 0.00 0.00 0.00 54.91 55.31 2ctq h ALA 59 Cb 1.13 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2ctq h ALA 59 CO -0.59 0.35 0.44 0.28 0.00 0.00 0.00 179.25 179.73 2ctq h VAL 60 N 0.39 0.62 -0.26 0.00 2.07 -0.82 0.57 116.25 118.82 2ctq h VAL 60 Ca 0.06 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2ctq h VAL 60 Cb 0.73 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2ctq h VAL 60 CO 0.05 0.10 -0.01 -0.08 0.02 0.00 0.00 177.57 177.65 2ctq h GLU 61 N 0.54 0.47 0.00 1.57 4.57 -1.32 -1.93 114.58 118.49 2ctq h GLU 61 Ca 0.52 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.53 2ctq h GLU 61 Cb 0.87 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2ctq h GLU 61 CO -0.44 0.64 -0.07 1.15 -1.18 0.00 0.00 179.01 179.11 2ctq h THR 62 N 0.24 0.47 0.04 0.32 2.02 -0.97 -1.95 112.91 113.09 2ctq h THR 62 Ca 0.07 -0.35 -0.25 0.00 0.77 0.00 0.00 66.41 66.66 2ctq h THR 62 Cb 0.44 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2ctq h THR 62 CO 0.02 0.07 -1.20 0.15 0.37 0.00 0.00 175.52 174.92 2ctq h PHE 63 N 0.00 0.16 -0.19 3.16 3.57 -0.63 -2.85 116.94 120.16 2ctq h PHE 63 Ca -0.00 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 2ctq h PHE 63 Cb 0.23 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2ctq h PHE 63 CO 0.00 1.11 -0.31 1.96 -2.23 0.00 0.00 178.31 178.83 2ctq h GLN 64 N 0.02 0.37 0.00 1.11 4.20 -0.57 -1.46 115.11 118.79 2ctq h GLN 64 Ca -0.10 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2ctq h GLN 64 Cb 1.87 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.64 2ctq h GLN 64 CO 0.14 0.65 -0.44 1.57 -0.67 0.00 0.00 178.83 180.09 2ctq h LYS 65 N 0.33 0.00 0.17 1.46 2.10 -1.57 -2.99 116.57 116.07 2ctq h LYS 65 Ca 0.04 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.46 2ctq h LYS 65 Cb 0.72 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.07 2ctq h LYS 65 CO 0.05 0.00 -1.04 -0.07 -2.00 0.00 0.00 179.45 176.39 2ctq h LEU 66 N 0.00 0.57 -0.35 7.07 3.38 -1.23 -3.14 115.31 121.61 2ctq h LEU 66 Ca 0.00 -0.94 -0.17 0.00 0.09 0.00 0.00 57.88 56.86 2ctq h LEU 66 Cb 0.98 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2ctq h LEU 66 CO 0.00 1.50 -0.45 0.06 0.09 0.00 0.00 178.44 179.64 2ctq h GLN 67 N -0.22 0.92 0.24 1.13 3.07 -1.39 -2.78 115.11 116.08 2ctq h GLN 67 Ca -0.19 -0.52 -0.01 0.00 0.09 0.00 0.00 58.65 58.02 2ctq h GLN 67 Cb 1.80 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 29.40 2ctq h GLN 67 CO 0.18 1.17 -0.17 0.87 0.09 0.00 0.00 178.83 180.97 2ctq h LYS 68 N 0.73 -0.38 -0.74 0.06 1.79 -1.65 -2.15 116.57 114.22 2ctq h LYS 68 Ca 0.04 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.71 2ctq h LYS 68 Cb 1.05 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.66 2ctq h LYS 68 CO 0.11 -0.25 0.05 0.00 -1.08 0.00 0.00 179.45 178.27 2ctq h ALA 69 N -1.59 0.82 -0.99 3.86 0.00 -1.65 0.33 119.26 120.03 2ctq h ALA 69 Ca -0.03 0.22 0.20 0.00 0.00 0.00 0.00 54.91 55.30 2ctq h ALA 69 Cb 0.32 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 2ctq h ALA 69 CO 0.02 -0.41 0.62 -0.22 0.00 0.00 0.00 179.25 179.25 2ctq h LYS 70 N 0.14 0.66 0.03 0.00 3.11 -1.34 0.17 116.57 119.32 2ctq h LYS 70 Ca 0.41 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.99 2ctq h LYS 70 Cb 0.73 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 2ctq h LYS 70 CO -0.62 0.44 -0.97 1.49 -2.81 0.00 0.00 179.45 176.97 2ctq h GLU 71 N 0.68 0.23 -0.46 1.90 4.81 0.26 -1.36 114.58 120.64 2ctq h GLU 71 Ca 0.56 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2ctq h GLU 71 Cb 0.99 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2ctq h GLU 71 CO -0.34 1.04 -0.05 0.82 -0.73 0.00 0.00 179.01 179.74 2ctq h ILE 72 N 0.12 1.27 0.03 2.32 1.08 0.83 -2.89 117.51 120.26 2ctq h ILE 72 Ca -0.06 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2ctq h ILE 72 Cb 1.63 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 2ctq h ILE 72 CO 0.15 0.39 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.92 2ctq h LEU 73 N 0.69 -0.04 -0.74 1.44 3.38 -0.86 0.45 115.31 119.63 2ctq h LEU 73 Ca 0.12 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.30 2ctq h LEU 73 Cb 0.58 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2ctq h LEU 73 CO 0.03 0.26 0.02 0.35 0.09 0.00 0.00 178.44 179.19 2ctq n THR 74 N -3.73 -0.31 -3.12 0.22 -2.24 -0.51 -3.99 114.28 100.60 2ctq n THR 74 Ca -0.01 1.62 -0.39 0.00 -2.27 0.00 0.00 64.05 63.00 2ctq n THR 74 Cb 0.02 -2.37 -0.05 0.00 -2.10 0.00 0.00 70.33 65.83 2ctq n THR 74 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2ctq s ASN 75 N -5.00 6.88 0.01 3.42 0.01 -1.09 -5.00 114.94 114.17 2ctq s ASN 75 Ca -0.09 1.06 -0.18 0.00 -0.71 0.00 0.00 52.86 52.94 2ctq s ASN 75 Cb 0.22 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.40 2ctq s ASN 75 CO 0.57 -0.11 0.96 -0.33 -1.51 0.00 0.00 177.10 176.69 2ctq h GLU 76 N 6.82 -0.62 -0.93 -0.60 4.39 -1.83 0.28 114.58 122.10 2ctq h GLU 76 Ca -0.40 0.04 0.36 0.00 0.34 0.00 0.00 59.36 59.70 2ctq h GLU 76 Cb 1.19 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.84 2ctq h GLU 76 CO 0.76 -0.41 0.54 -1.91 -1.16 0.00 0.00 179.01 176.83 2ctq n GLU 77 N -4.30 -0.04 -0.05 2.33 2.13 -1.26 0.62 120.64 120.07 2ctq n GLU 77 Ca -0.08 1.09 -0.19 0.00 0.66 0.00 0.00 57.16 58.64 2ctq n GLU 77 Cb 0.25 -2.02 -0.13 0.00 0.27 0.00 0.00 31.44 29.82 2ctq n GLU 77 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ctq h SER 78 N 0.00 0.15 -0.99 4.31 4.64 -1.76 -3.30 113.55 116.60 2ctq h SER 78 Ca 0.70 -0.83 0.20 0.00 -0.47 0.00 0.00 61.79 61.40 2ctq h SER 78 Cb 2.01 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.95 2ctq h SER 78 CO -0.54 1.32 0.62 -0.09 -0.87 0.00 0.00 176.83 177.27 2ctq h ARG 79 N -0.76 0.65 -0.60 4.77 2.43 0.50 0.40 114.38 121.78 2ctq h ARG 79 Ca -0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 2ctq h ARG 79 Cb 1.34 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2ctq h ARG 79 CO -0.03 0.43 0.25 0.00 -1.51 0.00 0.00 179.97 179.12 2ctq h ALA 80 N 1.64 0.77 0.00 2.80 0.00 -0.73 -2.38 119.26 121.37 2ctq h ALA 80 Ca 0.57 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2ctq h ALA 80 Cb 1.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2ctq h ALA 80 CO -0.35 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.14 2ctq h ARG 81 N 0.82 -0.21 0.50 0.00 2.47 -1.00 -1.72 114.38 115.25 2ctq h ARG 81 Ca 0.20 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 2ctq h ARG 81 Cb 0.18 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2ctq h ARG 81 CO -0.02 -0.14 -0.44 -0.92 0.56 0.00 0.00 179.97 179.01 2ctq h TYR 82 N -0.22 -1.21 -0.85 3.04 3.20 -1.35 -2.61 116.97 116.97 2ctq h TYR 82 Ca 0.04 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.11 2ctq h TYR 82 Cb 0.28 0.46 -0.16 0.00 1.54 0.00 0.00 36.73 38.85 2ctq h TYR 82 CO -0.19 -0.60 -0.12 0.22 -1.64 0.00 0.00 178.16 175.83 2ctq h ASP 83 N -0.93 -0.63 -0.94 -2.11 1.82 -1.36 0.85 116.42 113.12 2ctq h ASP 83 Ca -0.07 0.25 0.18 0.00 -0.39 0.00 0.00 57.03 57.00 2ctq h ASP 83 Cb 0.79 0.48 -0.08 0.00 0.68 0.00 0.00 39.33 41.19 2ctq h ASP 83 CO -0.02 -0.27 0.60 -0.74 -1.61 0.00 0.00 179.24 177.20 2ctq h HIS 84 N 0.03 0.81 0.01 0.28 2.76 -0.98 -1.46 115.15 116.59 2ctq h HIS 84 Ca 0.44 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.52 2ctq h HIS 84 Cb 0.75 -0.25 0.01 0.00 1.55 0.00 0.00 27.41 29.47 2ctq h HIS 84 CO -0.58 0.24 -0.47 2.35 -1.30 0.00 0.00 177.93 178.17 2ctq h TRP 85 N 0.63 0.45 -0.34 5.26 7.01 0.97 -3.18 115.95 126.75 2ctq h TRP 85 Ca 0.50 -0.25 0.07 0.00 2.11 0.00 0.00 58.89 61.32 2ctq h TRP 85 Cb 0.92 -0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.85 2ctq h TRP 85 CO -0.00 1.08 -0.26 -0.09 -2.79 0.00 0.00 178.44 176.38 2ctq h ARG 86 N -0.32 -0.21 0.00 2.65 2.43 0.02 0.45 114.38 119.40 2ctq h ARG 86 Ca -0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ctq h ARG 86 Cb 1.22 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2ctq h ARG 86 CO 0.09 -0.14 0.00 0.07 -1.51 0.00 0.00 179.97 178.48 2ctq h ARG 87 N -0.22 0.00 0.00 0.20 0.11 -1.42 0.84 114.38 113.90 2ctq h ARG 87 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2ctq h ARG 87 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2ctq h ARG 87 CO -0.46 0.00 -0.45 0.45 0.10 0.00 0.00 179.97 179.61 2ctq n SER 88 N -2.97 0.60 -4.13 0.08 2.88 0.15 -4.94 113.62 105.28 2ctq n SER 88 Ca -0.02 0.14 -0.29 0.00 -1.33 0.00 0.00 58.87 57.37 2ctq n SER 88 Cb 0.10 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 2ctq n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ctq n GLN 89 N -1.93 -0.93 -1.73 -1.46 6.02 0.29 -4.86 117.38 112.78 2ctq n GLN 89 Ca 0.04 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.79 2ctq n GLN 89 Cb 0.40 -3.29 0.05 0.00 1.02 0.00 0.00 30.24 28.42 2ctq n GLN 89 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2ctq s MET 90 N -6.88 2.80 0.10 -1.09 -1.94 -1.26 -4.96 119.30 106.07 2ctq s MET 90 Ca 0.07 1.33 -0.24 0.00 -1.71 0.00 0.00 55.69 55.14 2ctq s MET 90 Cb -0.04 -1.95 -0.11 0.00 2.01 0.00 0.00 34.83 34.74 2ctq s MET 90 CO 0.89 -1.25 1.70 0.77 -0.01 0.00 0.00 175.02 177.12 2ctq h SER 91 N -0.08 -0.29 -4.23 3.03 0.02 -1.99 -3.43 113.55 106.59 2ctq h SER 91 Ca -0.46 0.04 -0.48 0.00 -0.84 0.00 0.00 61.79 60.04 2ctq h SER 91 Cb 1.24 0.11 0.03 0.00 0.14 0.00 0.00 62.40 63.92 2ctq h SER 91 CO 0.54 -0.16 0.38 0.00 -1.14 0.00 0.00 176.83 176.46 2ctq s MET 92 N -6.15 3.81 0.56 3.45 0.23 -1.26 -5.04 119.30 114.90 2ctq s MET 92 Ca -0.14 0.94 -0.19 0.00 -1.03 0.00 0.00 55.69 55.27 2ctq s MET 92 Cb 0.07 -2.11 -0.05 0.00 -1.53 0.00 0.00 34.83 31.21 2ctq s MET 92 CO 0.66 -0.39 1.13 -1.25 -2.03 0.00 0.00 175.02 173.14 2ctq s PRO 93 N -4.30 3.26 0.29 3.16 0.04 -1.26 -4.87 135.00 131.32 2ctq s PRO 93 Ca 0.59 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.23 2ctq s PRO 93 Cb -0.11 -2.00 0.73 0.00 0.04 0.00 0.00 34.50 33.17 2ctq s PRO 93 CO 0.36 -0.91 1.67 0.35 0.04 0.00 0.00 177.00 178.51 2ctq h PHE 94 N 1.00 0.51 -0.74 0.56 3.57 -1.95 0.57 116.94 120.46 2ctq h PHE 94 Ca -0.49 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.21 2ctq h PHE 94 Cb 1.26 -0.08 -0.14 0.00 2.79 0.00 0.00 35.95 39.78 2ctq h PHE 94 CO 0.52 -0.14 -0.10 0.37 -2.23 0.00 0.00 178.31 176.73 2ctq h GLN 95 N 0.29 0.04 -0.21 1.11 5.75 -2.00 0.46 115.11 120.55 2ctq h GLN 95 Ca 0.56 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.06 2ctq h GLN 95 Cb 1.12 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 2ctq h GLN 95 CO -0.59 0.03 0.12 0.37 -2.65 0.00 0.00 178.83 176.10 2ctq h GLN 96 N 0.04 0.29 -0.72 1.69 -0.00 -1.24 -2.81 115.11 112.36 2ctq h GLN 96 Ca 0.38 -0.03 0.14 0.00 -0.00 0.00 0.00 58.65 59.13 2ctq h GLN 96 Cb 0.62 -0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.95 2ctq h GLN 96 CO -0.71 0.27 0.26 2.35 0.00 0.00 0.00 178.83 180.99 2ctq h TRP 97 N 0.24 0.43 -0.87 3.99 7.01 -0.75 0.11 115.95 126.10 2ctq h TRP 97 Ca 0.07 0.04 0.17 0.00 2.11 0.00 0.00 58.89 61.28 2ctq h TRP 97 Cb 0.06 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 26.97 2ctq h TRP 97 CO -0.04 0.03 0.57 0.93 -2.79 0.00 0.00 178.44 177.14 2ctq h GLU 98 N 0.39 0.53 -0.54 2.65 5.08 -0.94 -0.84 114.58 120.91 2ctq h GLU 98 Ca 0.39 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 2ctq h GLU 98 Cb 0.60 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2ctq h GLU 98 CO -0.41 0.35 0.25 0.00 -1.00 0.00 0.00 179.01 178.19 2ctq h ALA 99 N 1.61 0.69 -0.29 3.43 0.00 -0.74 -1.22 119.26 122.73 2ctq h ALA 99 Ca 0.45 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2ctq h ALA 99 Cb 0.91 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2ctq h ALA 99 CO -0.19 -0.12 -0.04 -0.07 0.00 0.00 0.00 179.25 178.83 2ctq h LEU 100 N 0.47 0.43 -0.20 0.00 3.38 -1.15 -1.06 115.31 117.18 2ctq h LEU 100 Ca 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2ctq h LEU 100 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ctq h LEU 100 CO -0.20 0.53 0.04 0.78 0.09 0.00 0.00 178.44 179.67 2ctq h ASN 101 N 0.44 0.31 -0.20 -0.43 2.35 -0.98 -3.18 115.58 113.89 2ctq h ASN 101 Ca 0.09 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2ctq h ASN 101 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2ctq h ASN 101 CO 0.01 0.48 -0.00 -0.78 -1.65 0.00 0.00 177.43 175.50 2ctq h ASP 102 N 0.13 0.35 -3.08 5.81 1.82 -1.08 -3.42 116.42 116.94 2ctq h ASP 102 Ca 0.06 -0.31 -0.65 0.00 -0.39 0.00 0.00 57.03 55.74 2ctq h ASP 102 Cb 0.30 -0.09 -0.35 0.00 0.68 0.00 0.00 39.33 39.87 2ctq h ASP 102 CO 0.00 0.58 -0.85 -0.94 -1.61 0.00 0.00 179.24 176.42 2ctq s SER 103 N -5.86 3.01 -0.07 2.28 1.04 -0.42 -4.99 113.70 108.69 2ctq s SER 103 Ca -0.14 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 55.74 2ctq s SER 103 Cb 0.07 -1.40 0.28 0.00 0.10 0.00 0.00 66.02 65.07 2ctq s SER 103 CO 0.73 -0.01 0.97 0.55 0.98 0.00 0.00 173.24 176.47 2ctq n VAL 104 N 4.62 0.89 -4.60 5.02 3.14 -1.23 -4.21 118.33 121.96 2ctq n VAL 104 Ca -0.20 -0.47 -0.22 0.00 -2.96 0.00 0.00 64.34 60.48 2ctq n VAL 104 Cb 0.50 -0.34 -0.15 0.00 -1.06 0.00 0.00 33.84 32.78 2ctq n VAL 104 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2ctq s LYS 105 N -1.63 1.20 -0.05 1.45 -2.85 -1.26 -5.12 119.74 111.48 2ctq s LYS 105 Ca 0.19 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 2ctq s LYS 105 Cb 0.14 -1.11 -0.04 0.00 -2.06 0.00 0.00 37.83 34.76 2ctq s LYS 105 CO 0.06 0.23 1.25 0.95 0.10 0.00 0.00 175.35 177.95 2ctq s THR 106 N -0.10 4.13 0.07 3.79 -4.23 -1.26 -4.93 115.64 113.11 2ctq s THR 106 Ca 0.01 1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 61.81 2ctq s THR 106 Cb -0.07 -3.94 -0.11 0.00 1.34 0.00 0.00 72.50 69.71 2ctq s THR 106 CO 0.00 -0.01 1.40 0.77 -0.54 0.00 0.00 174.62 176.24 2ctq h SER 107 N 7.58 0.56 -1.36 3.99 4.64 -1.99 -3.48 113.55 123.48 2ctq h SER 107 Ca -0.35 -0.46 0.03 0.00 -0.47 0.00 0.00 61.79 60.54 2ctq h SER 107 Cb 1.16 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ctq h SER 107 CO 0.89 0.90 0.15 0.61 -0.87 0.00 0.00 176.83 178.51 2ctq n GLY 108 N 0.13 1.30 3.75 -0.77 0.00 -1.26 -5.15 105.19 103.19 2ctq n GLY 108 Ca -0.05 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2ctq n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctq s PRO 109 N -2.02 4.43 0.21 1.61 0.04 -1.26 -5.04 135.00 132.97 2ctq s PRO 109 Ca 0.06 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.18 2ctq s PRO 109 Cb -0.01 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2ctq s PRO 109 CO 0.03 -0.14 0.03 -1.54 0.04 0.00 0.00 177.00 175.41 2ctq s SER 110 N -0.15 1.38 -0.69 6.66 1.04 -1.26 -5.05 113.70 115.63 2ctq s SER 110 Ca 0.52 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 2ctq s SER 110 Cb -0.36 0.10 0.43 0.00 0.10 0.00 0.00 66.02 66.28 2ctq s SER 110 CO 0.43 -0.60 2.01 -1.20 0.98 0.00 0.00 173.24 174.86 2ctq n SER 111 N -0.35 7.58 0.00 7.02 7.64 -1.26 -5.24 113.62 129.00 2ctq n SER 111 Ca -0.04 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.04 2ctq n SER 111 Cb 0.64 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2ctq n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64