#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbq n ASN 2 N 0.00 -2.54 0.19 2.55 5.15 -1.26 -4.94 115.26 114.42 1cbq n ASN 2 Ca 0.00 0.65 0.14 0.00 -0.60 0.00 0.00 54.58 54.78 1cbq n ASN 2 Cb 0.00 -3.03 0.60 0.00 -0.53 0.00 0.00 39.78 36.82 1cbq n ASN 2 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1cbq h PHE 3 N 1.75 0.00 -1.93 1.20 -1.00 -1.95 -3.47 116.94 111.54 1cbq h PHE 3 Ca -0.17 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.98 1cbq h PHE 3 Cb 0.39 0.00 0.13 0.00 3.61 0.00 0.00 35.95 40.08 1cbq h PHE 3 CO 0.00 0.00 -0.43 0.43 -1.61 0.00 0.00 178.31 176.70 1cbq n SER 4 N -2.57 -0.93 0.00 2.17 7.64 -1.26 -4.75 113.62 113.92 1cbq n SER 4 Ca 0.01 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1cbq n SER 4 Cb 0.23 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1cbq n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbq n GLY 5 N 1.83 2.67 3.60 0.23 0.00 -0.48 -4.95 105.19 108.10 1cbq n GLY 5 Ca 0.13 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1cbq n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cbq s ASN 6 N 0.00 5.62 0.05 1.61 0.02 -1.26 -1.24 114.94 119.74 1cbq s ASN 6 Ca 0.00 0.03 0.09 0.00 -1.02 0.00 0.00 52.86 51.96 1cbq s ASN 6 Cb 0.00 -1.98 -0.03 0.00 0.02 0.00 0.00 41.25 39.26 1cbq s ASN 6 CO 0.00 0.11 -0.25 0.26 0.02 0.00 0.00 177.10 177.25 1cbq s TRP 7 N 0.74 2.37 0.09 2.20 0.52 0.25 -0.53 118.94 124.58 1cbq s TRP 7 Ca 0.04 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.86 1cbq s TRP 7 Cb -0.13 -1.40 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1cbq s TRP 7 CO 0.02 0.16 -0.20 -1.59 0.02 0.00 0.00 176.95 175.36 1cbq s LYS 8 N -1.30 1.08 0.32 4.98 -2.85 -0.31 -2.49 119.74 119.17 1cbq s LYS 8 Ca 0.12 -1.12 -0.20 0.00 -1.00 0.00 0.00 55.97 53.78 1cbq s LYS 8 Cb -0.10 -1.30 -0.09 0.00 -2.06 0.00 0.00 37.83 34.28 1cbq s LYS 8 CO 0.03 0.30 0.82 -1.50 0.10 0.00 0.00 175.35 175.10 1cbq s ILE 9 N -1.16 4.50 0.00 3.79 2.07 -1.26 -1.31 121.20 127.83 1cbq s ILE 9 Ca 0.05 1.32 0.00 0.00 -1.41 0.00 0.00 60.65 60.61 1cbq s ILE 9 Cb -0.10 -3.75 0.00 0.00 0.13 0.00 0.00 42.46 38.74 1cbq s ILE 9 CO 0.04 -0.05 0.00 2.30 -1.91 0.00 0.00 174.94 175.32 1cbq n ILE 10 N 0.04 0.00 -3.95 2.00 -5.35 0.41 -4.91 119.36 107.61 1cbq n ILE 10 Ca 0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.41 1cbq n ILE 10 Cb 0.52 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.64 1cbq n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1cbq s ARG 11 N -1.70 0.42 -0.18 6.28 0.52 -1.03 -4.99 118.95 118.28 1cbq s ARG 11 Ca 0.00 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 1cbq s ARG 11 Cb 0.00 0.16 0.06 0.00 0.52 0.00 0.00 34.95 35.69 1cbq s ARG 11 CO 0.00 -0.09 0.65 0.45 0.02 0.00 0.00 175.30 176.33 1cbq s SER 12 N -1.67 -0.66 -0.13 0.23 0.15 -1.26 -0.65 113.70 109.71 1cbq s SER 12 Ca -0.12 1.10 -0.13 0.00 0.70 0.00 0.00 55.95 57.50 1cbq s SER 12 Cb -0.07 1.07 0.04 0.00 -1.71 0.00 0.00 66.02 65.35 1cbq s SER 12 CO -0.02 -0.35 0.36 -1.83 1.20 0.00 0.00 173.24 172.61 1cbq s GLU 13 N -0.18 0.44 -1.17 5.44 -1.05 -0.12 -4.96 118.70 117.11 1cbq s GLU 13 Ca -0.04 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.26 1cbq s GLU 13 Cb -0.03 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1cbq s GLU 13 CO 0.04 -0.06 0.00 0.09 0.95 0.00 0.00 175.26 176.28 1cbq n ASN 14 N 2.82 -4.50 -0.13 0.83 3.02 -1.26 -1.90 115.26 114.15 1cbq n ASN 14 Ca -0.13 0.27 -0.10 0.00 -0.03 0.00 0.00 54.58 54.59 1cbq n ASN 14 Cb 0.57 -2.97 -0.02 0.00 -0.61 0.00 0.00 39.78 36.76 1cbq n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1cbq h PHE 15 N 0.00 0.66 -0.29 3.10 3.57 -1.92 -1.15 116.94 120.91 1cbq h PHE 15 Ca -0.23 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.02 1cbq h PHE 15 Cb 0.78 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1cbq h PHE 15 CO 0.35 0.69 -0.46 1.49 -2.23 0.00 0.00 178.31 178.14 1cbq h GLU 16 N 0.45 0.75 -0.84 1.11 4.81 -1.96 -2.52 114.58 116.38 1cbq h GLU 16 Ca 0.11 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1cbq h GLU 16 Cb 0.39 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1cbq h GLU 16 CO 0.01 1.05 0.55 0.93 -0.73 0.00 0.00 179.01 180.82 1cbq h GLU 17 N 0.60 1.12 -0.69 1.92 3.07 -1.96 0.21 114.58 118.85 1cbq h GLU 17 Ca 0.03 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1cbq h GLU 17 Cb 1.02 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1cbq h GLU 17 CO 0.10 0.75 0.24 1.25 -1.40 0.00 0.00 179.01 179.95 1cbq h LEU 18 N 1.15 0.96 -0.41 1.33 5.85 -1.03 -2.01 115.31 121.15 1cbq h LEU 18 Ca 0.31 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 1cbq h LEU 18 Cb -0.12 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 1cbq h LEU 18 CO -0.07 0.88 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.38 1cbq h LEU 19 N 1.01 0.89 -0.37 2.25 4.07 -0.98 -2.56 115.31 119.62 1cbq h LEU 19 Ca 0.23 -0.44 0.01 0.00 0.08 0.00 0.00 57.88 57.75 1cbq h LEU 19 Cb 0.24 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1cbq h LEU 19 CO -0.01 1.22 0.24 0.11 -1.08 0.00 0.00 178.44 178.91 1cbq h LYS 20 N 0.65 0.47 -0.92 1.13 1.57 -0.70 -1.09 116.57 117.68 1cbq h LYS 20 Ca 0.04 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1cbq h LYS 20 Cb 1.05 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.19 1cbq h LYS 20 CO 0.10 0.31 0.60 0.28 -0.57 0.00 0.00 179.45 180.17 1cbq h VAL 21 N 0.48 1.06 -0.03 0.50 2.07 -1.28 -0.23 116.25 118.82 1cbq h VAL 21 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1cbq h VAL 21 Cb -0.03 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1cbq h VAL 21 CO -0.05 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1cbq n LEU 22 N -4.50 0.24 -1.48 2.57 4.77 -0.94 -4.88 117.00 112.79 1cbq n LEU 22 Ca 0.14 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1cbq n LEU 22 Cb 0.21 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1cbq n LEU 22 CO 0.32 0.05 -0.15 0.61 -1.33 0.00 0.00 177.39 176.90 1cbq n GLY 23 N 0.79 -0.15 3.74 -0.72 0.00 -0.10 -5.00 105.19 103.76 1cbq n GLY 23 Ca 0.12 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1cbq n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbq s VAL 24 N -2.66 3.87 0.75 1.61 1.01 -0.46 -5.00 120.40 119.53 1cbq s VAL 24 Ca 0.01 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 1cbq s VAL 24 Cb -0.01 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1cbq s VAL 24 CO 0.02 0.28 1.08 0.54 0.00 0.00 0.00 175.10 177.02 1cbq s ASN 25 N -0.13 4.77 0.34 3.32 2.20 -1.26 -4.66 114.94 119.52 1cbq s ASN 25 Ca 0.49 1.76 0.08 0.00 -0.94 0.00 0.00 52.86 54.25 1cbq s ASN 25 Cb -0.29 -2.51 0.79 0.00 -2.00 0.00 0.00 41.25 37.23 1cbq s ASN 25 CO 0.35 -1.86 1.84 0.58 -2.94 0.00 0.00 177.10 175.07 1cbq h VAL 26 N -1.00 0.80 -0.10 3.54 2.07 -1.98 0.62 116.25 120.19 1cbq h VAL 26 Ca -0.44 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1cbq h VAL 26 Cb 1.22 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1cbq h VAL 26 CO 0.53 0.13 -0.05 -0.03 0.02 0.00 0.00 177.57 178.17 1cbq h MET 27 N 0.73 0.21 -0.50 1.57 1.85 -2.00 -1.86 114.93 114.93 1cbq h MET 27 Ca 0.49 -0.10 -0.05 0.00 -0.61 0.00 0.00 59.70 59.43 1cbq h MET 27 Cb 0.79 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.79 1cbq h MET 27 CO -0.26 0.58 0.09 -0.07 -0.40 0.00 0.00 176.91 176.85 1cbq h LEU 28 N -0.16 0.73 -0.87 3.39 3.38 -1.78 -2.08 115.31 117.93 1cbq h LEU 28 Ca 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1cbq h LEU 28 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1cbq h LEU 28 CO 0.02 0.75 0.19 0.03 0.09 0.00 0.00 178.44 179.51 1cbq h ARG 29 N 0.75 1.03 -0.59 1.13 3.08 -0.85 0.09 114.38 119.02 1cbq h ARG 29 Ca 0.16 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1cbq h ARG 29 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1cbq h ARG 29 CO 0.00 0.89 0.01 0.87 -1.07 0.00 0.00 179.97 180.68 1cbq h LYS 30 N 0.99 1.03 -0.38 0.04 1.57 -0.86 -0.88 116.57 118.07 1cbq h LYS 30 Ca 0.22 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1cbq h LYS 30 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1cbq h LYS 30 CO -0.00 1.01 -0.30 0.82 -0.57 0.00 0.00 179.45 180.40 1cbq h ILE 31 N 0.92 1.28 -0.30 1.86 2.04 -1.17 -2.28 117.51 119.86 1cbq h ILE 31 Ca 0.17 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1cbq h ILE 31 Cb 0.54 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1cbq h ILE 31 CO 0.03 0.49 0.12 0.00 0.00 0.00 0.00 178.15 178.79 1cbq h ALA 32 N 0.78 0.39 -0.85 1.87 0.00 -0.85 -1.02 119.26 119.58 1cbq h ALA 32 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cbq h ALA 32 Cb 0.88 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1cbq h ALA 32 CO 0.08 -0.01 0.41 0.28 0.00 0.00 0.00 179.25 180.00 1cbq h VAL 33 N 0.34 1.26 -0.38 0.00 2.07 -1.15 0.17 116.25 118.56 1cbq h VAL 33 Ca 0.10 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 1cbq h VAL 33 Cb 0.17 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1cbq h VAL 33 CO -0.01 0.31 -0.29 0.00 0.02 0.00 0.00 177.57 177.61 1cbq h ALA 34 N 1.22 0.77 0.07 1.67 0.00 -1.16 -3.12 119.26 118.71 1cbq h ALA 34 Ca 0.29 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1cbq h ALA 34 Cb 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1cbq h ALA 34 CO -0.04 0.65 -1.12 0.00 0.00 0.00 0.00 179.25 178.75 1cbq h ALA 35 N 0.97 0.16 0.00 0.00 0.00 -1.03 -3.25 119.26 116.12 1cbq h ALA 35 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1cbq h ALA 35 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1cbq h ALA 35 CO 0.07 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1cbq n ALA 36 N -2.60 2.04 0.05 0.00 0.00 0.03 -3.45 120.51 116.59 1cbq n ALA 36 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1cbq n ALA 36 Cb 0.93 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 19.31 1cbq n ALA 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1cbq h SER 37 N 0.00 0.38 -2.09 0.00 0.87 -1.57 -3.35 113.55 107.79 1cbq h SER 37 Ca 0.00 -0.13 -0.57 0.00 -1.23 0.00 0.00 61.79 59.86 1cbq h SER 37 Cb 0.13 -0.10 -0.39 0.00 -0.44 0.00 0.00 62.40 61.60 1cbq h SER 37 CO 0.00 0.66 -1.07 0.29 -0.53 0.00 0.00 176.83 176.18 1cbq n LYS 38 N -4.11 0.56 -2.19 2.24 5.02 -1.22 -4.93 118.16 113.53 1cbq n LYS 38 Ca -0.01 -3.20 -0.27 0.00 -2.02 0.00 0.00 58.31 52.81 1cbq n LYS 38 Cb 0.41 -1.34 0.14 0.00 -0.02 0.00 0.00 35.03 34.22 1cbq n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1cbq s PRO 39 N -0.83 1.30 -0.11 1.97 0.04 -1.26 -4.84 135.00 131.28 1cbq s PRO 39 Ca 0.34 -0.59 -0.01 0.00 0.04 0.00 0.00 61.00 60.79 1cbq s PRO 39 Cb 0.13 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1cbq s PRO 39 CO -0.14 -1.86 -0.02 0.00 0.04 0.00 0.00 177.00 175.02 1cbq s ALA 40 N -3.52 0.97 -0.21 8.56 0.00 -0.17 -4.67 121.76 122.72 1cbq s ALA 40 Ca 0.69 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1cbq s ALA 40 Cb -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1cbq s ALA 40 CO 0.49 -0.57 0.03 0.08 0.00 0.00 0.00 175.76 175.78 1cbq s VAL 41 N 1.86 4.13 -0.17 0.00 1.01 -1.04 -0.84 120.40 125.34 1cbq s VAL 41 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1cbq s VAL 41 Cb -0.13 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1cbq s VAL 41 CO -0.07 0.40 -0.09 -0.70 0.00 0.00 0.00 175.10 174.64 1cbq s GLU 42 N 1.15 3.36 -0.03 2.72 2.12 0.01 -0.59 118.70 127.44 1cbq s GLU 42 Ca 0.03 -0.66 0.05 0.00 0.36 0.00 0.00 54.97 54.75 1cbq s GLU 42 Cb -0.14 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1cbq s GLU 42 CO 0.02 0.00 -0.19 0.42 -0.54 0.00 0.00 175.26 174.97 1cbq s ILE 43 N 0.92 1.56 -0.17 -3.70 1.01 -0.37 -0.48 121.20 119.97 1cbq s ILE 43 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1cbq s ILE 43 Cb -0.15 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.05 1cbq s ILE 43 CO -0.00 0.44 -0.04 -0.54 0.00 0.00 0.00 174.94 174.80 1cbq s LYS 44 N -0.18 1.31 -0.13 2.79 1.02 -0.02 -1.39 119.74 123.15 1cbq s LYS 44 Ca 0.01 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1cbq s LYS 44 Cb -0.10 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1cbq s LYS 44 CO 0.01 -0.47 -0.19 -1.14 -0.92 0.00 0.00 175.35 172.65 1cbq s GLN 45 N 1.66 3.17 -0.41 1.68 0.74 -1.26 -1.12 119.66 124.12 1cbq s GLN 45 Ca 0.00 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.63 1cbq s GLN 45 Cb -0.16 -2.50 0.13 0.00 1.10 0.00 0.00 33.01 31.59 1cbq s GLN 45 CO -0.07 0.10 0.22 -1.21 -0.55 0.00 0.00 175.29 173.78 1cbq s GLU 46 N 0.57 1.06 6.23 1.67 2.02 0.21 -4.82 118.70 125.63 1cbq s GLU 46 Ca -0.11 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1cbq s GLU 46 Cb -0.16 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1cbq s GLU 46 CO 0.04 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1cbq n GLY 47 N 3.77 0.87 0.94 -1.39 0.00 -1.26 -2.37 105.19 105.74 1cbq n GLY 47 Ca 0.09 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1cbq n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbq n ASP 48 N 6.44 2.72 -4.63 1.61 9.92 -1.26 -4.82 116.55 126.54 1cbq n ASP 48 Ca 0.00 -2.01 -0.37 0.00 -0.53 0.00 0.00 54.79 51.88 1cbq n ASP 48 Cb 0.00 -0.34 -0.10 0.00 -0.64 0.00 0.00 41.12 40.04 1cbq n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1cbq s THR 49 N -1.34 5.33 0.19 -3.53 2.01 -1.00 -0.08 115.64 117.23 1cbq s THR 49 Ca 0.34 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.63 1cbq s THR 49 Cb 0.18 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1cbq s THR 49 CO 0.23 0.30 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.89 1cbq s PHE 50 N 1.40 2.07 -0.06 4.92 0.40 0.09 -0.62 117.98 126.17 1cbq s PHE 50 Ca 0.08 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1cbq s PHE 50 Cb -0.15 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.41 1cbq s PHE 50 CO 0.08 0.45 0.09 -0.47 0.70 0.00 0.00 175.22 176.07 1cbq s TYR 51 N -1.99 -0.00 -0.23 0.36 5.04 -0.28 -1.60 117.35 118.65 1cbq s TYR 51 Ca 0.20 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 1cbq s TYR 51 Cb -0.06 -0.43 0.05 0.00 0.35 0.00 0.00 41.96 41.87 1cbq s TYR 51 CO 0.09 -0.24 -0.08 0.42 -1.34 0.00 0.00 175.55 174.40 1cbq s ILE 52 N 2.20 1.65 -0.16 3.14 1.01 -0.25 -0.84 121.20 127.96 1cbq s ILE 52 Ca 0.04 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 1cbq s ILE 52 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1cbq s ILE 52 CO -0.04 0.00 0.09 -0.75 0.00 0.00 0.00 174.94 174.24 1cbq s LYS 53 N 1.36 3.77 -0.27 2.79 2.20 0.37 -1.55 119.74 128.41 1cbq s LYS 53 Ca -0.05 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1cbq s LYS 53 Cb -0.18 -3.20 0.08 0.00 -1.51 0.00 0.00 37.83 33.02 1cbq s LYS 53 CO -0.07 0.46 -0.00 0.99 -0.36 0.00 0.00 175.35 176.37 1cbq s THR 54 N -0.14 1.56 -0.05 3.43 2.01 -0.22 -0.81 115.64 121.42 1cbq s THR 54 Ca 0.08 -1.49 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 1cbq s THR 54 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1cbq s THR 54 CO 0.01 -0.32 0.12 -0.44 -0.69 0.00 0.00 174.62 173.30 1cbq s SER 55 N 1.34 6.09 0.18 3.53 0.01 -0.02 -1.84 113.70 122.99 1cbq s SER 55 Ca 0.01 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.57 1cbq s SER 55 Cb -0.19 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1cbq s SER 55 CO -0.10 0.33 0.12 0.42 0.41 0.00 0.00 173.24 174.42 1cbq s THR 56 N -1.15 0.04 -0.71 1.44 -4.23 -1.20 -1.00 115.64 108.83 1cbq s THR 56 Ca 0.21 -1.93 0.22 0.00 -1.18 0.00 0.00 61.69 59.01 1cbq s THR 56 Cb -0.12 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.62 1cbq s THR 56 CO 0.11 -0.16 1.67 0.35 -0.54 0.00 0.00 174.62 176.05 1cbq n THR 57 N -0.22 0.77 -0.04 3.99 -2.24 -1.26 -3.94 114.28 111.34 1cbq n THR 57 Ca -0.01 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1cbq n THR 57 Cb 0.65 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1cbq n THR 57 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1cbq n VAL 58 N -1.97 0.55 -3.72 2.28 0.31 -1.26 -5.04 118.33 109.49 1cbq n VAL 58 Ca 0.03 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1cbq n VAL 58 Cb 0.25 -0.83 -0.11 0.00 -0.91 0.00 0.00 33.84 32.24 1cbq n VAL 58 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1cbq s ARG 59 N -2.19 0.34 -0.03 5.55 3.52 -1.25 -5.15 118.95 119.72 1cbq s ARG 59 Ca -0.09 0.65 0.06 0.00 -0.13 0.00 0.00 55.73 56.22 1cbq s ARG 59 Cb 0.03 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1cbq s ARG 59 CO 0.27 -0.14 -0.20 0.99 -0.81 0.00 0.00 175.30 175.40 1cbq s THR 60 N 1.13 1.64 0.04 4.11 2.01 -1.26 -3.24 115.64 120.07 1cbq s THR 60 Ca -0.08 -0.86 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1cbq s THR 60 Cb -0.08 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1cbq s THR 60 CO -0.09 0.47 -0.21 0.42 -0.69 0.00 0.00 174.62 174.51 1cbq s THR 61 N -0.24 1.70 -0.06 -0.82 -4.23 -0.76 -5.00 115.64 106.22 1cbq s THR 61 Ca 0.02 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1cbq s THR 61 Cb -0.10 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1cbq s THR 61 CO 0.01 0.25 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.66 1cbq s GLU 62 N -1.10 1.12 0.03 3.99 2.02 -1.26 -1.05 118.70 122.45 1cbq s GLU 62 Ca 0.08 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 54.95 1cbq s GLU 62 Cb -0.09 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.05 1cbq s GLU 62 CO 0.01 -0.07 -0.22 0.96 0.02 0.00 0.00 175.26 175.96 1cbq s ILE 63 N 0.94 1.79 -0.08 -1.63 -4.36 -0.59 -4.98 121.20 112.29 1cbq s ILE 63 Ca -0.10 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 1cbq s ILE 63 Cb -0.15 -1.53 0.01 0.00 1.25 0.00 0.00 42.46 42.05 1cbq s ILE 63 CO 0.00 0.32 -0.13 0.20 0.24 0.00 0.00 174.94 175.58 1cbq s ASN 64 N -1.00 2.01 0.16 4.36 -0.87 -1.26 -1.09 114.94 117.25 1cbq s ASN 64 Ca 0.09 -0.34 -0.22 0.00 -1.57 0.00 0.00 52.86 50.82 1cbq s ASN 64 Cb -0.09 -0.91 0.07 0.00 -0.02 0.00 0.00 41.25 40.30 1cbq s ASN 64 CO 0.01 0.02 0.58 0.72 -2.57 0.00 0.00 177.10 175.86 1cbq s PHE 65 N 0.84 -0.50 -0.09 2.20 -0.71 -0.63 -4.92 117.98 114.16 1cbq s PHE 65 Ca -0.11 0.27 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 1cbq s PHE 65 Cb -0.15 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1cbq s PHE 65 CO 0.02 -0.84 -0.22 0.21 -1.34 0.00 0.00 175.22 173.04 1cbq s LYS 66 N -3.76 2.94 0.43 1.99 2.20 -1.26 -0.73 119.74 121.55 1cbq s LYS 66 Ca 0.01 -0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 54.53 1cbq s LYS 66 Cb -0.01 -2.33 -0.10 0.00 -1.51 0.00 0.00 37.83 33.89 1cbq s LYS 66 CO -0.12 0.27 1.17 0.28 -0.36 0.00 0.00 175.35 176.58 1cbq n VAL 67 N 3.30 2.59 -0.83 4.02 0.31 0.89 -2.38 118.33 126.23 1cbq n VAL 67 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1cbq n VAL 67 Cb 0.53 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1cbq n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cbq n GLY 68 N 0.96 0.57 3.09 2.92 0.00 0.45 -4.97 105.19 108.20 1cbq n GLY 68 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1cbq n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cbq s GLU 69 N -0.44 2.55 0.23 1.61 2.12 -1.00 -4.91 118.70 118.86 1cbq s GLU 69 Ca 0.00 -1.08 -0.31 0.00 0.36 0.00 0.00 54.97 53.94 1cbq s GLU 69 Cb 0.00 -2.71 -0.14 0.00 0.26 0.00 0.00 34.13 31.54 1cbq s GLU 69 CO 0.00 -0.40 1.32 -1.91 -0.54 0.00 0.00 175.26 173.73 1cbq n GLU 70 N 4.53 1.80 -4.15 4.30 2.13 -1.26 -4.49 120.64 123.50 1cbq n GLU 70 Ca -0.17 0.64 -0.14 0.00 0.66 0.00 0.00 57.16 58.15 1cbq n GLU 70 Cb 0.46 -2.24 -0.07 0.00 0.27 0.00 0.00 31.44 29.86 1cbq n GLU 70 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1cbq s PHE 71 N -0.19 1.11 -0.17 4.31 -0.71 0.98 -4.97 117.98 118.34 1cbq s PHE 71 Ca 0.68 -1.29 -0.03 0.00 -1.04 0.00 0.00 56.93 55.25 1cbq s PHE 71 Cb -0.70 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 40.78 1cbq s PHE 71 CO 0.51 -0.90 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.42 1cbq s GLU 72 N -3.66 3.46 0.00 1.99 2.12 -1.26 0.23 118.70 121.58 1cbq s GLU 72 Ca 0.34 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1cbq s GLU 72 Cb 0.02 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1cbq s GLU 72 CO 0.17 0.06 0.00 -0.85 -0.54 0.00 0.00 175.26 174.10 1cbq n GLU 73 N 4.02 0.00 -4.20 4.30 0.28 -0.77 -4.98 120.64 119.29 1cbq n GLU 73 Ca -0.18 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.67 1cbq n GLU 73 Cb 0.52 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.28 1cbq n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1cbq s GLN 74 N 1.30 0.92 0.92 3.44 -0.21 -1.26 -0.84 119.66 123.93 1cbq s GLN 74 Ca 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 55.36 54.03 1cbq s GLN 74 Cb 0.00 -0.63 0.14 0.00 1.00 0.00 0.00 33.01 33.52 1cbq s GLN 74 CO 0.00 0.10 1.12 0.95 -2.12 0.00 0.00 175.29 175.34 1cbq s THR 75 N -2.53 2.12 0.39 -0.19 -4.23 0.23 -4.85 115.64 106.59 1cbq s THR 75 Ca 0.08 0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1cbq s THR 75 Cb -0.02 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.40 1cbq s THR 75 CO 0.01 -0.05 1.96 0.58 -0.54 0.00 0.00 174.62 176.58 1cbq h VAL 76 N -1.54 0.95 -0.06 2.29 2.07 -2.00 -0.49 116.25 117.47 1cbq h VAL 76 Ca -0.51 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1cbq h VAL 76 Cb 1.33 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1cbq h VAL 76 CO 0.61 0.11 0.00 -0.90 0.02 0.00 0.00 177.57 177.40 1cbq n ASP 77 N -4.48 0.46 0.00 0.57 5.75 -1.26 -4.90 116.55 112.68 1cbq n ASP 77 Ca 0.11 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1cbq n ASP 77 Cb 0.32 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1cbq n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbq n GLY 78 N 0.81 0.89 3.75 6.12 0.00 -0.19 -5.08 105.19 111.49 1cbq n GLY 78 Ca 0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1cbq n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbq s ARG 79 N -0.77 4.26 0.32 1.61 0.52 -1.25 -4.77 118.95 118.87 1cbq s ARG 79 Ca 0.00 0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 55.37 1cbq s ARG 79 Cb 0.00 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 1cbq s ARG 79 CO 0.00 0.28 1.30 -2.14 0.02 0.00 0.00 175.30 174.76 1cbq s PRO 80 N 0.22 4.37 0.15 3.54 0.02 -1.26 0.78 135.00 142.82 1cbq s PRO 80 Ca 0.25 2.19 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 1cbq s PRO 80 Cb -0.16 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1cbq s PRO 80 CO 0.11 -0.18 0.33 0.00 -0.33 0.00 0.00 177.00 176.92 1cbq s LYS 82 N -3.91 4.09 0.01 0.00 -0.14 0.16 -1.84 119.74 118.10 1cbq s LYS 82 Ca 0.12 -0.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.62 1cbq s LYS 82 Cb 0.03 -3.54 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 1cbq s LYS 82 CO -0.04 0.03 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.23 1cbq s SER 83 N 1.08 2.70 -0.12 2.83 0.01 0.14 -1.24 113.70 119.09 1cbq s SER 83 Ca 0.10 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1cbq s SER 83 Cb -0.14 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1cbq s SER 83 CO 0.05 0.25 -0.04 -0.22 0.41 0.00 0.00 173.24 173.69 1cbq s LEU 84 N -0.79 1.13 0.06 2.44 2.96 -1.16 -0.01 118.68 123.31 1cbq s LEU 84 Ca 0.09 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1cbq s LEU 84 Cb -0.09 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1cbq s LEU 84 CO 0.00 -0.17 0.29 -0.69 -1.32 0.00 0.00 176.35 174.46 1cbq s VAL 85 N 1.77 5.27 0.03 1.68 1.01 -1.26 -2.99 120.40 125.92 1cbq s VAL 85 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1cbq s VAL 85 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1cbq s VAL 85 CO -0.07 0.22 0.21 -0.54 0.00 0.00 0.00 175.10 174.91 1cbq s LYS 86 N -2.19 0.66 -0.35 2.72 1.02 -0.20 0.17 119.74 121.58 1cbq s LYS 86 Ca 0.33 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 1cbq s LYS 86 Cb -0.13 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1cbq s LYS 86 CO 0.21 -0.18 1.14 -1.58 -0.92 0.00 0.00 175.35 174.02 1cbq s TRP 87 N -2.17 2.97 0.16 3.18 0.52 -1.26 -0.16 118.94 122.18 1cbq s TRP 87 Ca -0.08 1.03 -0.05 0.00 0.02 0.00 0.00 56.10 57.02 1cbq s TRP 87 Cb -0.03 -3.89 0.00 0.00 -1.15 0.00 0.00 33.47 28.40 1cbq s TRP 87 CO -0.02 -1.09 1.40 1.49 0.02 0.00 0.00 176.95 178.75 1cbq h GLU 88 N 8.60 0.52 0.00 4.98 4.81 -0.70 -3.47 114.58 129.31 1cbq h GLU 88 Ca -0.22 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1cbq h GLU 88 Cb 1.07 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1cbq h GLU 88 CO 1.05 1.05 0.00 -1.13 -0.73 0.00 0.00 179.01 179.25 1cbq n SER 89 N -3.87 0.00 -0.31 1.04 3.41 -0.90 -5.00 113.62 107.99 1cbq n SER 89 Ca -0.05 -0.81 -0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1cbq n SER 89 Cb 0.72 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.79 1cbq n SER 89 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1cbq h GLU 90 N 0.00 0.99 -0.26 4.33 4.39 -2.02 -3.21 114.58 118.80 1cbq h GLU 90 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1cbq h GLU 90 Cb 0.00 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1cbq h GLU 90 CO 0.00 0.65 0.00 0.09 -1.16 0.00 0.00 179.01 178.59 1cbq n ASN 91 N -4.59 2.69 -3.76 1.42 3.02 -1.26 -4.88 115.26 107.89 1cbq n ASN 91 Ca 0.11 -1.96 -0.20 0.00 -0.03 0.00 0.00 54.58 52.50 1cbq n ASN 91 Cb 0.13 -0.18 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1cbq n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1cbq s LYS 92 N -0.98 0.37 0.01 3.52 2.20 -1.21 -1.01 119.74 122.64 1cbq s LYS 92 Ca 0.18 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.98 1cbq s LYS 92 Cb 0.10 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.66 1cbq s LYS 92 CO 0.13 -0.25 -0.04 0.00 -0.36 0.00 0.00 175.35 174.83 1cbq s MET 93 N 1.71 2.62 -0.01 4.03 0.23 -0.63 0.05 119.30 127.30 1cbq s MET 93 Ca 0.00 -0.70 0.07 0.00 -1.03 0.00 0.00 55.69 54.03 1cbq s MET 93 Cb -0.13 -2.56 -0.02 0.00 -1.53 0.00 0.00 34.83 30.60 1cbq s MET 93 CO -0.03 0.60 -0.24 0.08 -2.03 0.00 0.00 175.02 173.40 1cbq s VAL 94 N -1.06 1.87 -0.13 5.16 1.01 0.78 -2.05 120.40 125.97 1cbq s VAL 94 Ca 0.19 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1cbq s VAL 94 Cb -0.11 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1cbq s VAL 94 CO 0.10 0.51 -0.09 0.00 0.00 0.00 0.00 175.10 175.62 1cbq s GLU 96 N 1.64 4.15 -0.03 0.00 0.41 -1.16 -1.86 118.70 121.85 1cbq s GLU 96 Ca 0.04 0.27 0.06 0.00 -0.41 0.00 0.00 54.97 54.94 1cbq s GLU 96 Cb -0.13 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 28.83 1cbq s GLU 96 CO -0.09 0.36 -0.20 -0.65 -0.49 0.00 0.00 175.26 174.19 1cbq s GLN 97 N 0.03 2.28 -0.09 1.61 -0.21 -1.03 -2.98 119.66 119.27 1cbq s GLN 97 Ca 0.21 -0.83 -0.00 0.00 0.02 0.00 0.00 55.36 54.76 1cbq s GLN 97 Cb -0.15 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.69 1cbq s GLN 97 CO 0.08 0.59 -0.06 0.21 -2.12 0.00 0.00 175.29 173.99 1cbq s LYS 98 N -0.71 1.25 0.17 2.91 2.20 -0.38 -4.50 119.74 120.69 1cbq s LYS 98 Ca 0.11 -0.16 -0.32 0.00 -0.36 0.00 0.00 55.97 55.24 1cbq s LYS 98 Cb -0.10 -1.35 -0.11 0.00 -1.51 0.00 0.00 37.83 34.76 1cbq s LYS 98 CO -0.00 -0.23 1.69 -0.51 -0.36 0.00 0.00 175.35 175.94 1cbq s LEU 99 N 1.61 4.38 0.07 5.43 1.43 -1.26 0.40 118.68 130.73 1cbq s LEU 99 Ca 0.02 2.74 -0.35 0.00 -1.03 0.00 0.00 54.13 55.51 1cbq s LEU 99 Cb -0.13 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 42.31 1cbq s LEU 99 CO -0.06 -0.93 1.60 -0.07 0.23 0.00 0.00 176.35 177.12 1cbq h LEU 100 N 7.32 -0.97 -8.50 1.79 3.38 -1.82 -3.45 115.31 113.06 1cbq h LEU 100 Ca -0.43 0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 1cbq h LEU 100 Cb 1.20 0.26 -0.24 0.00 0.09 0.00 0.00 40.66 41.97 1cbq h LEU 100 CO 0.94 -0.67 -0.82 -0.54 0.09 0.00 0.00 178.44 177.44 1cbq s LYS 101 N -6.02 1.15 0.00 1.13 1.02 -1.26 -5.09 119.74 110.67 1cbq s LYS 101 Ca -0.19 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1cbq s LYS 101 Cb 0.03 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1cbq s LYS 101 CO 0.61 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.76 1cbq n GLY 102 N 1.66 -0.80 3.78 -3.33 0.00 -1.26 -5.00 105.19 100.24 1cbq n GLY 102 Ca -0.18 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 1cbq n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbq s GLU 103 N -1.25 2.77 0.00 1.61 0.41 -1.26 -4.91 118.70 116.07 1cbq s GLU 103 Ca 0.00 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1cbq s GLU 103 Cb 0.00 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 1cbq s GLU 103 CO 0.00 0.37 0.00 0.41 -0.49 0.00 0.00 175.26 175.55 1cbq n GLY 104 N -1.12 -0.20 3.73 -1.39 0.00 -1.26 -5.14 105.19 99.80 1cbq n GLY 104 Ca -0.07 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1cbq n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cbq s PRO 105 N -2.00 2.19 -0.07 1.61 0.02 -1.26 -4.94 135.00 130.55 1cbq s PRO 105 Ca 0.00 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 1cbq s PRO 105 Cb 0.00 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1cbq s PRO 105 CO 0.00 -1.77 1.11 0.21 -0.33 0.00 0.00 177.00 176.22 1cbq s LYS 106 N -4.02 4.39 0.24 5.54 2.20 -1.26 -4.79 119.74 122.03 1cbq s LYS 106 Ca 0.72 1.54 0.11 0.00 -0.36 0.00 0.00 55.97 57.98 1cbq s LYS 106 Cb -0.27 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 1cbq s LYS 106 CO 0.46 -0.37 -0.19 0.95 -0.36 0.00 0.00 175.35 175.83 1cbq s THR 107 N 2.06 2.23 0.14 3.43 -4.23 -1.26 0.38 115.64 118.38 1cbq s THR 107 Ca 0.52 -2.24 -0.25 0.00 -1.18 0.00 0.00 61.69 58.54 1cbq s THR 107 Cb -0.22 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.53 1cbq s THR 107 CO 0.20 -0.38 1.03 -0.94 -0.54 0.00 0.00 174.62 173.99 1cbq s SER 108 N -3.22 -0.12 -0.01 3.99 1.04 -1.03 -2.47 113.70 111.88 1cbq s SER 108 Ca 0.25 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1cbq s SER 108 Cb -0.05 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1cbq s SER 108 CO 0.11 -0.83 0.44 -1.66 0.98 0.00 0.00 173.24 172.28 1cbq s TRP 109 N -2.92 -0.34 0.05 5.02 1.48 -0.78 -1.02 118.94 120.44 1cbq s TRP 109 Ca 0.15 0.50 0.04 0.00 -1.06 0.00 0.00 56.10 55.73 1cbq s TRP 109 Cb -0.01 0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 32.50 1cbq s TRP 109 CO 0.02 -0.50 -0.12 0.95 -4.06 0.00 0.00 176.95 173.24 1cbq s THR 110 N -1.59 0.95 -0.05 0.66 -4.23 -0.64 -0.01 115.64 110.74 1cbq s THR 110 Ca -0.11 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1cbq s THR 110 Cb -0.03 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.91 1cbq s THR 110 CO 0.04 -0.18 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.71 1cbq s ARG 111 N -1.46 1.29 0.01 3.99 0.52 -0.87 -1.31 118.95 121.11 1cbq s ARG 111 Ca -0.03 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 1cbq s ARG 111 Cb -0.09 -1.14 -0.01 0.00 0.52 0.00 0.00 34.95 34.23 1cbq s ARG 111 CO 0.01 0.05 -0.07 -2.00 0.02 0.00 0.00 175.30 173.32 1cbq s GLU 112 N 0.50 0.51 -0.24 3.54 2.12 0.13 -1.60 118.70 123.67 1cbq s GLU 112 Ca -0.09 -0.34 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 1cbq s GLU 112 Cb -0.13 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 1cbq s GLU 112 CO 0.02 0.12 0.04 -1.17 -0.54 0.00 0.00 175.26 173.73 1cbq s LEU 113 N -0.45 3.32 0.83 2.70 2.96 -0.18 -0.35 118.68 127.51 1cbq s LEU 113 Ca 0.00 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 1cbq s LEU 113 Cb -0.04 -1.88 0.14 0.00 0.50 0.00 0.00 46.19 44.92 1cbq s LEU 113 CO -0.00 -0.02 1.16 0.42 -1.32 0.00 0.00 176.35 176.59 1cbq s THR 114 N 1.51 2.09 -1.95 3.68 -4.23 -0.60 -4.86 115.64 111.28 1cbq s THR 114 Ca 0.06 -0.21 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 1cbq s THR 114 Cb -0.15 -2.88 0.47 0.00 1.34 0.00 0.00 72.50 71.28 1cbq s THR 114 CO 0.02 0.00 1.78 -0.46 -0.54 0.00 0.00 174.62 175.42 1cbq n ASN 115 N -3.32 0.88 -0.94 3.99 6.94 -1.26 -3.92 115.26 117.62 1cbq n ASN 115 Ca 0.13 -0.97 0.01 0.00 -0.02 0.00 0.00 54.58 53.74 1cbq n ASN 115 Cb 0.60 0.01 0.21 0.00 -2.36 0.00 0.00 39.78 38.25 1cbq n ASN 115 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1cbq n ASP 116 N -0.55 2.78 0.00 0.53 5.75 -1.26 -4.98 116.55 118.81 1cbq n ASP 116 Ca 0.16 -3.52 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 1cbq n ASP 116 Cb 0.30 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1cbq n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbq n GLY 117 N -1.00 0.48 3.44 6.12 0.00 -1.25 -5.07 105.19 107.92 1cbq n GLY 117 Ca 0.27 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1cbq n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbq s GLU 118 N -3.28 1.57 -0.11 1.61 2.02 -1.26 -4.13 118.70 115.12 1cbq s GLU 118 Ca 0.00 -1.62 0.03 0.00 0.02 0.00 0.00 54.97 53.40 1cbq s GLU 118 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1cbq s GLU 118 CO 0.00 0.37 -0.20 -1.17 0.02 0.00 0.00 175.26 174.28 1cbq s LEU 119 N -2.99 1.96 -0.14 1.80 2.96 -0.41 -1.56 118.68 120.30 1cbq s LEU 119 Ca 0.24 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1cbq s LEU 119 Cb -0.07 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1cbq s LEU 119 CO 0.12 0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.50 1cbq s ILE 120 N 0.63 3.15 -0.17 6.68 1.01 0.52 -0.95 121.20 132.08 1cbq s ILE 120 Ca -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1cbq s ILE 120 Cb -0.16 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1cbq s ILE 120 CO 0.03 0.51 -0.12 -0.22 0.00 0.00 0.00 174.94 175.15 1cbq s LEU 121 N 0.47 2.63 0.06 2.97 2.96 -0.20 -0.69 118.68 126.89 1cbq s LEU 121 Ca -0.08 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.50 1cbq s LEU 121 Cb -0.16 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1cbq s LEU 121 CO 0.04 0.08 -0.24 0.42 -1.32 0.00 0.00 176.35 175.33 1cbq s THR 122 N 0.87 2.37 -0.04 3.68 -4.23 -0.43 -0.86 115.64 117.00 1cbq s THR 122 Ca -0.03 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1cbq s THR 122 Cb -0.15 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.73 1cbq s THR 122 CO -0.00 0.30 -0.07 -0.04 -0.54 0.00 0.00 174.62 174.26 1cbq s MET 123 N -1.49 1.00 -0.02 3.99 -1.94 0.13 -1.62 119.30 119.35 1cbq s MET 123 Ca 0.13 -0.21 0.08 0.00 -1.71 0.00 0.00 55.69 53.98 1cbq s MET 123 Cb -0.10 -0.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.78 1cbq s MET 123 CO 0.04 -0.01 -0.26 0.99 -0.01 0.00 0.00 175.02 175.77 1cbq s THR 124 N 0.67 2.06 -0.31 2.05 2.01 -0.19 -0.10 115.64 121.83 1cbq s THR 124 Ca -0.10 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 1cbq s THR 124 Cb -0.13 -1.71 0.10 0.00 0.01 0.00 0.00 72.50 70.77 1cbq s THR 124 CO 0.01 0.58 0.12 0.00 -0.69 0.00 0.00 174.62 174.64 1cbq s ALA 125 N -0.56 1.33 0.00 7.40 0.00 -0.22 -2.46 121.76 127.25 1cbq s ALA 125 Ca 0.08 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1cbq s ALA 125 Cb -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1cbq s ALA 125 CO -0.00 -1.70 0.00 -0.25 0.00 0.00 0.00 175.76 173.81 1cbq n ASP 126 N 4.85 0.00 -0.50 0.00 8.00 0.16 -1.54 116.55 127.52 1cbq n ASP 126 Ca -0.02 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.54 1cbq n ASP 126 Cb 0.41 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.66 1cbq n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1cbq n ASP 127 N 8.77 2.89 -4.58 -2.24 5.68 -1.26 -4.93 116.55 120.88 1cbq n ASP 127 Ca 0.00 -2.35 -0.35 0.00 -0.50 0.00 0.00 54.79 51.59 1cbq n ASP 127 Cb 0.00 -0.27 -0.11 0.00 -1.14 0.00 0.00 41.12 39.60 1cbq n ASP 127 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1cbq s VAL 128 N -1.62 4.59 -0.17 2.12 1.01 -0.59 -5.08 120.40 120.66 1cbq s VAL 128 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1cbq s VAL 128 Cb 0.16 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1cbq s VAL 128 CO 0.09 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 1cbq s VAL 129 N 0.68 2.65 -0.17 2.92 1.01 -1.26 -1.06 120.40 125.16 1cbq s VAL 129 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1cbq s VAL 129 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1cbq s VAL 129 CO 0.02 0.50 0.09 0.00 0.00 0.00 0.00 175.10 175.71 1cbq s THR 131 N 0.01 2.32 -0.07 0.00 2.01 -0.80 -0.69 115.64 118.42 1cbq s THR 131 Ca 0.08 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1cbq s THR 131 Cb -0.12 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1cbq s THR 131 CO 0.00 0.55 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.26 1cbq s ARG 132 N 0.35 1.47 -0.10 4.92 0.52 -0.04 -0.94 118.95 125.14 1cbq s ARG 132 Ca -0.17 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1cbq s ARG 132 Cb -0.17 -1.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 1cbq s ARG 132 CO 0.08 -0.04 -0.14 0.08 0.02 0.00 0.00 175.30 175.31 1cbq s VAL 133 N 0.86 3.04 0.23 3.52 1.01 0.17 -1.03 120.40 128.21 1cbq s VAL 133 Ca -0.11 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1cbq s VAL 133 Cb -0.15 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1cbq s VAL 133 CO 0.01 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 1cbq s TYR 134 N -0.09 1.86 0.12 5.22 1.51 -0.12 -0.44 117.35 125.41 1cbq s TYR 134 Ca -0.02 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1cbq s TYR 134 Cb -0.14 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1cbq s TYR 134 CO 0.04 0.42 -0.07 0.14 -1.11 0.00 0.00 175.55 174.97 1cbq s VAL 135 N -2.89 0.83 0.27 0.71 -7.23 -0.42 -1.29 120.40 110.38 1cbq s VAL 135 Ca 0.25 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1cbq s VAL 135 Cb -0.01 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.03 1cbq s VAL 135 CO 0.09 -0.77 1.36 -0.13 -0.31 0.00 0.00 175.10 175.34 1cbq s ARG 136 N -3.82 4.33 0.00 4.82 0.52 -1.26 -1.16 118.95 122.38 1cbq s ARG 136 Ca 0.15 2.22 0.31 0.00 -0.52 0.00 0.00 55.73 57.89 1cbq s ARG 136 Cb 0.05 -3.11 1.71 0.00 0.52 0.00 0.00 34.95 34.11 1cbq s ARG 136 CO -0.02 -0.29 2.12 -1.91 0.02 0.00 0.00 175.30 175.22