#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbs s ASN 2 N 0.00 5.06 0.09 2.55 2.47 -1.26 -4.96 114.94 118.90 2cbs s ASN 2 Ca 0.00 -1.10 0.27 0.00 0.42 0.00 0.00 52.86 52.45 2cbs s ASN 2 Cb 0.00 -1.80 0.96 0.00 -1.45 0.00 0.00 41.25 38.96 2cbs s ASN 2 CO 0.00 -0.27 1.80 0.49 -3.72 0.00 0.00 177.10 175.40 2cbs n PHE 3 N 4.74 0.41 -1.58 0.43 3.01 -1.26 -4.93 117.46 118.28 2cbs n PHE 3 Ca -0.13 0.12 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 2cbs n PHE 3 Cb 0.45 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 39.23 2cbs n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2cbs n SER 4 N -1.84 1.24 0.00 4.37 7.64 -1.26 -4.73 113.62 119.04 2cbs n SER 4 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2cbs n SER 4 Cb 0.38 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2cbs n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbs n GLY 5 N 1.41 1.25 3.45 0.23 0.00 0.18 -4.95 105.19 106.75 2cbs n GLY 5 Ca 0.11 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 2cbs n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cbs s ASN 6 N 0.00 4.98 0.05 1.61 0.01 -1.26 -0.73 114.94 119.59 2cbs s ASN 6 Ca 0.00 -0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 2cbs s ASN 6 Cb 0.00 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 2cbs s ASN 6 CO 0.00 0.02 -0.16 0.26 -1.51 0.00 0.00 177.10 175.71 2cbs s TRP 7 N 1.28 2.61 0.07 2.20 0.52 0.15 -0.70 118.94 125.08 2cbs s TRP 7 Ca 0.04 -0.22 0.09 0.00 0.02 0.00 0.00 56.10 56.03 2cbs s TRP 7 Cb -0.15 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2cbs s TRP 7 CO 0.02 0.29 -0.24 -1.59 0.02 0.00 0.00 176.95 175.45 2cbs s LYS 8 N -1.54 1.48 0.30 4.98 -2.85 -0.42 -2.19 119.74 119.50 2cbs s LYS 8 Ca 0.16 -1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 53.77 2cbs s LYS 8 Cb -0.11 -1.72 -0.09 0.00 -2.06 0.00 0.00 37.83 33.85 2cbs s LYS 8 CO 0.06 0.43 0.89 -1.50 0.10 0.00 0.00 175.35 175.33 2cbs s ILE 9 N -0.91 4.31 0.00 3.79 2.07 -1.26 -1.80 121.20 127.40 2cbs s ILE 9 Ca 0.10 1.68 0.00 0.00 -1.41 0.00 0.00 60.65 61.02 2cbs s ILE 9 Cb -0.10 -3.96 0.00 0.00 0.13 0.00 0.00 42.46 38.53 2cbs s ILE 9 CO 0.03 0.14 0.00 2.30 -1.91 0.00 0.00 174.94 175.51 2cbs n ILE 10 N 0.56 0.00 -3.63 2.00 -5.35 0.37 -4.93 119.36 108.38 2cbs n ILE 10 Ca 0.01 -0.35 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 2cbs n ILE 10 Cb 0.50 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 2cbs n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2cbs s ARG 11 N -0.83 0.77 -0.03 6.28 3.52 -1.13 -4.99 118.95 122.54 2cbs s ARG 11 Ca 0.00 1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 56.64 2cbs s ARG 11 Cb 0.00 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 2cbs s ARG 11 CO 0.00 -0.12 0.07 0.45 -0.81 0.00 0.00 175.30 174.90 2cbs s SER 12 N 0.85 -0.06 -0.07 -2.12 0.15 -1.26 -0.15 113.70 111.05 2cbs s SER 12 Ca -0.04 0.14 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 2cbs s SER 12 Cb -0.05 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2cbs s SER 12 CO -0.07 -0.05 0.21 -1.61 1.20 0.00 0.00 173.24 172.91 2cbs s GLU 13 N 0.33 0.29 -1.08 5.44 2.02 -0.10 -4.90 118.70 120.70 2cbs s GLU 13 Ca -0.02 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.15 2cbs s GLU 13 Cb -0.04 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.33 2cbs s GLU 13 CO -0.01 -0.05 0.00 -1.71 0.02 0.00 0.00 175.26 173.51 2cbs n ASN 14 N 2.71 -4.36 -0.08 -0.19 5.15 -1.26 -1.77 115.26 115.46 2cbs n ASN 14 Ca -0.14 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 2cbs n ASN 14 Cb 0.58 -2.75 -0.05 0.00 -0.53 0.00 0.00 39.78 37.03 2cbs n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2cbs h PHE 15 N 0.00 0.54 -0.45 1.20 3.57 -1.90 -1.82 116.94 118.08 2cbs h PHE 15 Ca -0.21 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.09 2cbs h PHE 15 Cb 0.71 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2cbs h PHE 15 CO 0.31 0.72 -0.03 1.49 -2.23 0.00 0.00 178.31 178.57 2cbs h GLU 16 N 0.21 0.75 -0.17 1.11 4.81 -1.96 -1.88 114.58 117.45 2cbs h GLU 16 Ca 0.06 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2cbs h GLU 16 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2cbs h GLU 16 CO 0.03 0.79 -0.16 1.49 -0.73 0.00 0.00 179.01 180.43 2cbs h GLU 17 N 0.70 0.28 -0.14 1.92 4.57 -1.94 -0.43 114.58 119.53 2cbs h GLU 17 Ca 0.13 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2cbs h GLU 17 Cb 0.48 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2cbs h GLU 17 CO 0.02 0.44 0.03 1.25 -1.18 0.00 0.00 179.01 179.57 2cbs h LEU 18 N 0.26 0.22 -1.29 1.64 5.85 -0.54 -2.36 115.31 119.09 2cbs h LEU 18 Ca 0.05 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2cbs h LEU 18 Cb 0.44 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2cbs h LEU 18 CO 0.03 0.42 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.22 2cbs h LEU 19 N 0.02 0.16 -0.37 2.25 3.38 -1.07 -2.82 115.31 116.87 2cbs h LEU 19 Ca 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2cbs h LEU 19 Cb 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2cbs h LEU 19 CO 0.00 0.42 0.14 0.50 0.09 0.00 0.00 178.44 179.59 2cbs h LYS 20 N 0.15 0.55 0.00 1.13 3.64 -0.86 -2.10 116.57 119.08 2cbs h LYS 20 Ca 0.03 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2cbs h LYS 20 Cb 0.53 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2cbs h LYS 20 CO 0.04 0.54 -0.04 -0.24 -2.27 0.00 0.00 179.45 177.48 2cbs h VAL 21 N 0.44 0.15 -0.01 2.00 3.04 -1.19 -1.67 116.25 119.02 2cbs h VAL 21 Ca 0.12 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2cbs h VAL 21 Cb 0.20 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2cbs h VAL 21 CO -0.01 0.04 -0.05 0.18 -1.01 0.00 0.00 177.57 176.72 2cbs n LEU 22 N -3.22 0.62 0.00 3.16 4.77 -0.81 -4.93 117.00 116.59 2cbs n LEU 22 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2cbs n LEU 22 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2cbs n LEU 22 CO 0.26 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2cbs n GLY 23 N 1.17 0.40 3.71 -0.72 0.00 -0.63 -5.03 105.19 104.10 2cbs n GLY 23 Ca 0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2cbs n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cbs s VAL 24 N -2.00 4.83 0.67 1.61 1.01 -1.10 -5.01 120.40 120.41 2cbs s VAL 24 Ca 0.00 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 2cbs s VAL 24 Cb 0.00 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2cbs s VAL 24 CO 0.00 0.20 1.18 0.54 0.00 0.00 0.00 175.10 177.02 2cbs s ASN 25 N 0.81 4.72 0.25 3.32 2.20 -1.26 -4.73 114.94 120.26 2cbs s ASN 25 Ca 0.49 2.27 -0.04 0.00 -0.94 0.00 0.00 52.86 54.65 2cbs s ASN 25 Cb -0.21 -2.58 0.51 0.00 -2.00 0.00 0.00 41.25 36.97 2cbs s ASN 25 CO 0.27 -1.90 1.68 -0.37 -2.94 0.00 0.00 177.10 173.83 2cbs h VAL 26 N 0.12 0.47 -0.27 3.54 -1.51 -1.99 -1.60 116.25 115.02 2cbs h VAL 26 Ca -0.48 -0.09 0.03 0.00 -1.23 0.00 0.00 66.70 64.93 2cbs h VAL 26 Cb 1.28 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.60 2cbs h VAL 26 CO 0.52 0.05 0.07 0.24 -1.23 0.00 0.00 177.57 177.22 2cbs h MET 27 N 0.26 0.18 -0.30 5.19 2.86 -2.01 -1.74 114.93 119.36 2cbs h MET 27 Ca 0.44 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.96 2cbs h MET 27 Cb 0.79 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2cbs h MET 27 CO -0.55 0.12 -0.27 -0.07 1.06 0.00 0.00 176.91 177.20 2cbs h LEU 28 N 0.18 0.62 -1.05 1.22 3.38 -1.79 -2.93 115.31 114.94 2cbs h LEU 28 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2cbs h LEU 28 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2cbs h LEU 28 CO -0.14 0.87 0.45 0.03 0.09 0.00 0.00 178.44 179.74 2cbs h ARG 29 N 0.53 1.11 -0.19 1.13 3.08 -0.93 -1.81 114.38 117.31 2cbs h ARG 29 Ca 0.07 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2cbs h ARG 29 Cb 0.74 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2cbs h ARG 29 CO 0.06 0.81 0.09 0.87 -1.07 0.00 0.00 179.97 180.72 2cbs h LYS 30 N 1.12 0.18 -0.60 0.04 1.79 -1.14 0.13 116.57 118.10 2cbs h LYS 30 Ca 0.29 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2cbs h LYS 30 Cb 0.01 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 2cbs h LYS 30 CO -0.05 0.12 0.36 0.82 -1.08 0.00 0.00 179.45 179.62 2cbs h ILE 31 N 0.19 1.18 -0.20 1.86 2.04 -1.41 -1.94 117.51 119.23 2cbs h ILE 31 Ca 0.08 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2cbs h ILE 31 Cb 0.02 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2cbs h ILE 31 CO -0.06 0.19 0.01 0.00 0.00 0.00 0.00 178.15 178.29 2cbs h ALA 32 N 1.18 0.27 -0.63 1.87 0.00 -1.01 -2.81 119.26 118.13 2cbs h ALA 32 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2cbs h ALA 32 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2cbs h ALA 32 CO -0.04 -0.03 0.42 0.28 0.00 0.00 0.00 179.25 179.87 2cbs h VAL 33 N 0.12 1.15 -0.00 0.00 2.07 -0.59 -0.32 116.25 118.67 2cbs h VAL 33 Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2cbs h VAL 33 Cb 0.36 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2cbs h VAL 33 CO 0.01 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2cbs h ALA 34 N 1.24 0.00 -0.35 1.67 0.00 -1.35 -3.05 119.26 117.42 2cbs h ALA 34 Ca 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2cbs h ALA 34 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2cbs h ALA 34 CO -0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 179.25 178.44 2cbs h ALA 35 N 0.98 0.90 0.00 0.00 0.00 -1.35 -3.11 119.26 116.68 2cbs h ALA 35 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2cbs h ALA 35 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2cbs h ALA 35 CO -0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2cbs n ALA 36 N -2.50 1.51 1.21 0.00 0.00 -0.14 -2.66 120.51 117.92 2cbs n ALA 36 Ca -0.00 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.67 2cbs n ALA 36 Cb 0.44 -1.34 0.68 0.00 0.00 0.00 0.00 19.45 19.24 2cbs n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cbs n SER 37 N -2.13 0.00 -2.86 0.00 3.41 -1.16 -3.98 113.62 106.90 2cbs n SER 37 Ca 0.01 0.14 -0.19 0.00 -0.26 0.00 0.00 58.87 58.58 2cbs n SER 37 Cb 0.17 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 2cbs n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2cbs n LYS 38 N -1.38 1.89 -1.90 4.33 2.85 -1.09 -4.93 118.16 117.93 2cbs n LYS 38 Ca 0.11 -3.82 -0.31 0.00 -1.05 0.00 0.00 58.31 53.24 2cbs n LYS 38 Cb 0.28 -1.76 0.01 0.00 -0.65 0.00 0.00 35.03 32.91 2cbs n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2cbs s PRO 39 N -3.03 3.56 -0.18 -1.58 0.04 -1.26 -4.83 135.00 127.71 2cbs s PRO 39 Ca 0.39 0.80 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2cbs s PRO 39 Cb 0.38 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.87 2cbs s PRO 39 CO -0.07 -0.60 -0.14 0.00 0.04 0.00 0.00 177.00 176.22 2cbs s ALA 40 N -3.10 2.10 -0.12 8.56 0.00 -0.66 -4.46 121.76 124.09 2cbs s ALA 40 Ca 0.56 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2cbs s ALA 40 Cb -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 2cbs s ALA 40 CO 0.51 -0.58 -0.16 0.08 0.00 0.00 0.00 175.76 175.61 2cbs s VAL 41 N 1.37 2.77 -0.09 0.00 1.01 -0.93 -1.01 120.40 123.52 2cbs s VAL 41 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2cbs s VAL 41 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2cbs s VAL 41 CO -0.10 0.54 -0.21 -0.70 0.00 0.00 0.00 175.10 174.63 2cbs s GLU 42 N 0.31 2.71 -0.05 2.72 2.12 -0.03 0.33 118.70 126.80 2cbs s GLU 42 Ca -0.12 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.47 2cbs s GLU 42 Cb -0.16 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.16 2cbs s GLU 42 CO 0.06 0.13 -0.13 0.42 -0.54 0.00 0.00 175.26 175.21 2cbs s ILE 43 N 0.44 1.10 -0.15 -3.70 1.01 0.09 -0.87 121.20 119.13 2cbs s ILE 43 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2cbs s ILE 43 Cb -0.17 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.33 2cbs s ILE 43 CO 0.07 0.34 -0.14 -0.54 0.00 0.00 0.00 174.94 174.67 2cbs s LYS 44 N 0.35 2.31 -0.04 2.79 -0.14 -0.27 -0.65 119.74 124.10 2cbs s LYS 44 Ca -0.08 -0.56 0.04 0.00 -1.36 0.00 0.00 55.97 54.01 2cbs s LYS 44 Cb -0.12 -2.11 -0.00 0.00 -1.68 0.00 0.00 37.83 33.92 2cbs s LYS 44 CO 0.02 -0.23 -0.17 -1.14 -0.76 0.00 0.00 175.35 173.08 2cbs s GLN 45 N 1.46 1.69 -0.24 1.68 0.74 -1.26 -1.28 119.66 122.44 2cbs s GLN 45 Ca 0.04 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.82 2cbs s GLN 45 Cb -0.13 -1.49 0.08 0.00 1.10 0.00 0.00 33.01 32.58 2cbs s GLN 45 CO -0.10 0.25 0.11 -2.00 -0.55 0.00 0.00 175.29 173.00 2cbs s GLU 46 N 0.00 0.14 7.75 1.67 2.56 -0.66 -4.84 118.70 125.32 2cbs s GLU 46 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 54.59 2cbs s GLU 46 Cb -0.11 -1.42 0.00 0.00 2.00 0.00 0.00 34.13 34.60 2cbs s GLU 46 CO 0.02 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 2cbs n GLY 47 N 5.26 3.33 0.64 -1.50 0.00 -1.26 -1.22 105.19 110.44 2cbs n GLY 47 Ca -0.06 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2cbs n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cbs n ASP 48 N 6.75 1.94 -4.66 1.61 8.00 -1.26 -4.88 116.55 124.05 2cbs n ASP 48 Ca 0.00 -1.74 -0.39 0.00 0.71 0.00 0.00 54.79 53.38 2cbs n ASP 48 Cb 0.00 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 40.92 2cbs n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cbs s THR 49 N -1.78 5.16 0.06 -3.53 2.01 -0.36 -0.71 115.64 116.49 2cbs s THR 49 Ca 0.34 0.82 0.08 0.00 0.31 0.00 0.00 61.69 63.23 2cbs s THR 49 Cb 0.19 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2cbs s THR 49 CO 0.28 0.22 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.84 2cbs s PHE 50 N 1.47 1.96 -0.13 4.92 0.40 0.14 -1.65 117.98 125.10 2cbs s PHE 50 Ca 0.21 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2cbs s PHE 50 Cb -0.15 -1.15 0.03 0.00 0.51 0.00 0.00 43.02 42.26 2cbs s PHE 50 CO 0.09 0.13 -0.05 -0.47 0.70 0.00 0.00 175.22 175.62 2cbs s TYR 51 N -0.86 1.39 -0.15 0.36 5.04 -0.40 -1.04 117.35 121.69 2cbs s TYR 51 Ca 0.09 -0.75 -0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2cbs s TYR 51 Cb -0.09 -1.18 0.04 0.00 0.35 0.00 0.00 41.96 41.07 2cbs s TYR 51 CO 0.02 -0.52 -0.07 0.42 -1.34 0.00 0.00 175.55 174.07 2cbs s ILE 52 N 1.74 1.16 -0.20 3.14 1.01 -0.17 -1.11 121.20 126.76 2cbs s ILE 52 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2cbs s ILE 52 Cb -0.13 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2cbs s ILE 52 CO -0.08 0.23 -0.03 -0.75 0.00 0.00 0.00 174.94 174.31 2cbs s LYS 53 N 1.63 3.49 -0.22 2.79 2.20 -0.05 -1.40 119.74 128.18 2cbs s LYS 53 Ca 0.02 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2cbs s LYS 53 Cb -0.14 -3.01 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2cbs s LYS 53 CO -0.08 -0.06 -0.14 0.99 -0.36 0.00 0.00 175.35 175.70 2cbs s THR 54 N 1.14 2.06 -0.05 3.43 2.01 -0.01 -0.85 115.64 123.36 2cbs s THR 54 Ca 0.02 -1.29 0.03 0.00 0.31 0.00 0.00 61.69 60.76 2cbs s THR 54 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 2cbs s THR 54 CO 0.00 0.21 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.58 2cbs s SER 55 N 1.21 4.17 0.21 3.53 0.01 -0.18 -1.17 113.70 121.48 2cbs s SER 55 Ca -0.03 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 2cbs s SER 55 Cb -0.17 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 2cbs s SER 55 CO -0.08 0.35 0.14 0.42 0.41 0.00 0.00 173.24 174.48 2cbs s THR 56 N -0.74 0.00 0.39 1.44 -4.23 0.01 -1.65 115.64 110.87 2cbs s THR 56 Ca 0.11 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 58.83 2cbs s THR 56 Cb -0.11 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.44 2cbs s THR 56 CO 0.01 0.00 1.96 0.71 -0.54 0.00 0.00 174.62 176.76 2cbs h THR 57 N 2.59 0.91 0.00 3.99 1.35 -1.89 -3.13 112.91 116.73 2cbs h THR 57 Ca -0.35 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2cbs h THR 57 Cb 1.25 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2cbs h THR 57 CO 0.52 0.21 -0.88 1.33 -0.25 0.00 0.00 175.52 176.45 2cbs n VAL 58 N -3.92 0.00 -3.62 6.82 0.24 -1.26 -5.01 118.33 111.58 2cbs n VAL 58 Ca -0.02 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 2cbs n VAL 58 Cb 0.30 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.58 2cbs n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2cbs s ARG 59 N -2.72 0.56 -0.05 7.34 3.52 -1.18 -5.15 118.95 121.26 2cbs s ARG 59 Ca 0.06 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.18 2cbs s ARG 59 Cb 0.14 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.81 2cbs s ARG 59 CO 0.74 -0.10 -0.09 0.99 -0.81 0.00 0.00 175.30 176.03 2cbs s THR 60 N -0.13 0.87 0.04 4.11 2.01 -1.26 -0.81 115.64 120.47 2cbs s THR 60 Ca 0.01 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.74 2cbs s THR 60 Cb -0.04 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2cbs s THR 60 CO -0.03 0.29 -0.23 0.42 -0.69 0.00 0.00 174.62 174.38 2cbs s THR 61 N 0.55 1.81 -0.07 -0.82 -4.23 -0.31 -4.99 115.64 107.58 2cbs s THR 61 Ca -0.10 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2cbs s THR 61 Cb -0.13 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.17 2cbs s THR 61 CO 0.02 0.28 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.72 2cbs s GLU 62 N -1.14 0.98 0.04 3.99 2.02 -1.26 -0.83 118.70 122.50 2cbs s GLU 62 Ca 0.09 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 55.06 2cbs s GLU 62 Cb -0.09 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.01 2cbs s GLU 62 CO 0.02 -0.19 -0.20 0.96 0.02 0.00 0.00 175.26 175.86 2cbs s ILE 63 N 1.45 1.63 -0.08 -1.63 -4.36 -0.49 -4.99 121.20 112.72 2cbs s ILE 63 Ca -0.02 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2cbs s ILE 63 Cb -0.13 -1.41 0.01 0.00 1.25 0.00 0.00 42.46 42.18 2cbs s ILE 63 CO -0.03 0.22 -0.13 0.20 0.24 0.00 0.00 174.94 175.44 2cbs s ASN 64 N -1.11 2.06 0.16 4.36 0.01 -1.26 -1.00 114.94 118.17 2cbs s ASN 64 Ca 0.07 -0.34 -0.19 0.00 -0.71 0.00 0.00 52.86 51.68 2cbs s ASN 64 Cb -0.09 -0.92 0.05 0.00 0.41 0.00 0.00 41.25 40.70 2cbs s ASN 64 CO 0.01 0.01 0.52 0.72 -1.51 0.00 0.00 177.10 176.86 2cbs s PHE 65 N 0.87 -0.31 -0.10 2.20 -0.12 -0.21 -4.94 117.98 115.38 2cbs s PHE 65 Ca -0.10 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 2cbs s PHE 65 Cb -0.15 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 2cbs s PHE 65 CO 0.01 -0.83 -0.21 0.15 -0.05 0.00 0.00 175.22 174.28 2cbs s LYS 66 N -3.81 3.03 0.32 1.99 1.02 -1.26 0.28 119.74 121.32 2cbs s LYS 66 Ca 0.04 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 2cbs s LYS 66 Cb -0.00 -2.36 -0.11 0.00 -0.52 0.00 0.00 37.83 34.83 2cbs s LYS 66 CO -0.09 0.24 1.58 0.08 -0.92 0.00 0.00 175.35 176.23 2cbs s VAL 67 N 0.22 2.00 0.00 3.17 1.01 0.12 -1.42 120.40 125.50 2cbs s VAL 67 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2cbs s VAL 67 Cb -0.17 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2cbs s VAL 67 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2cbs n GLY 68 N 1.62 1.35 3.21 4.51 0.00 0.15 -5.00 105.19 111.03 2cbs n GLY 68 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2cbs n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cbs s GLU 69 N -0.47 3.09 0.29 1.61 2.02 -0.51 -4.96 118.70 119.77 2cbs s GLU 69 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 2cbs s GLU 69 Cb 0.00 -2.48 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 2cbs s GLU 69 CO 0.00 0.02 1.60 -2.00 0.02 0.00 0.00 175.26 174.90 2cbs s GLU 70 N 0.75 4.12 0.26 1.61 2.12 -1.26 -4.52 118.70 121.77 2cbs s GLU 70 Ca -0.08 2.58 0.02 0.00 0.36 0.00 0.00 54.97 57.85 2cbs s GLU 70 Cb -0.16 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2cbs s GLU 70 CO 0.00 -0.64 0.21 -0.59 -0.54 0.00 0.00 175.26 173.70 2cbs s PHE 71 N 0.06 1.35 -0.08 5.30 -0.71 -0.08 -4.97 117.98 118.85 2cbs s PHE 71 Ca 0.64 -1.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.10 2cbs s PHE 71 Cb -0.48 -0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 40.74 2cbs s PHE 71 CO 0.47 -0.76 -0.15 -2.00 -1.34 0.00 0.00 175.22 171.44 2cbs s GLU 72 N -3.84 2.83 0.00 1.99 2.12 -1.26 0.49 118.70 121.04 2cbs s GLU 72 Ca 0.39 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.01 2cbs s GLU 72 Cb 0.05 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.98 2cbs s GLU 72 CO 0.18 0.45 0.00 -0.85 -0.54 0.00 0.00 175.26 174.50 2cbs n GLU 73 N 2.81 0.00 -4.37 4.30 0.28 -0.48 -4.95 120.64 118.24 2cbs n GLU 73 Ca -0.18 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.62 2cbs n GLU 73 Cb 0.52 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.26 2cbs n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2cbs s GLN 74 N 1.06 0.94 1.01 3.44 -0.21 -1.26 -0.97 119.66 123.66 2cbs s GLN 74 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 54.52 2cbs s GLN 74 Cb 0.00 -0.94 0.19 0.00 1.00 0.00 0.00 33.01 33.27 2cbs s GLN 74 CO 0.00 0.23 1.08 0.95 -2.12 0.00 0.00 175.29 175.43 2cbs s THR 75 N -0.82 2.24 0.39 -0.19 -4.23 0.66 -4.84 115.64 108.85 2cbs s THR 75 Ca 0.02 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.71 2cbs s THR 75 Cb -0.08 -2.41 0.32 0.00 1.34 0.00 0.00 72.50 71.67 2cbs s THR 75 CO 0.01 -0.10 1.95 0.58 -0.54 0.00 0.00 174.62 176.51 2cbs h VAL 76 N -2.00 0.92 -0.16 2.29 2.07 -1.99 -0.16 116.25 117.22 2cbs h VAL 76 Ca -0.54 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2cbs h VAL 76 Cb 1.31 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2cbs h VAL 76 CO 0.53 0.11 0.00 -0.90 0.02 0.00 0.00 177.57 177.33 2cbs n ASP 77 N -4.49 1.79 0.00 0.57 5.75 -1.26 -4.88 116.55 114.03 2cbs n ASP 77 Ca 0.12 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 2cbs n ASP 77 Cb 0.35 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2cbs n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cbs n GLY 78 N 0.39 0.40 3.76 6.12 0.00 -0.07 -5.06 105.19 110.72 2cbs n GLY 78 Ca 0.07 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2cbs n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cbs s ARG 79 N -2.06 3.90 0.23 1.61 0.52 -1.25 -4.80 118.95 117.10 2cbs s ARG 79 Ca 0.00 -0.22 -0.32 0.00 -0.52 0.00 0.00 55.73 54.67 2cbs s ARG 79 Cb 0.00 -3.30 -0.12 0.00 0.52 0.00 0.00 34.95 32.05 2cbs s ARG 79 CO 0.00 0.45 1.64 -0.35 0.02 0.00 0.00 175.30 177.05 2cbs n PRO 80 N 3.03 2.59 -3.94 3.54 -0.04 -1.26 -0.25 135.00 138.67 2cbs n PRO 80 Ca -0.17 0.93 -0.08 0.00 -0.04 0.00 0.00 63.50 64.13 2cbs n PRO 80 Cb 0.53 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.18 2cbs n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cbs s LYS 82 N -3.89 4.10 0.19 0.00 -0.14 0.97 -1.38 119.74 119.59 2cbs s LYS 82 Ca 0.07 -0.27 0.11 0.00 -1.36 0.00 0.00 55.97 54.53 2cbs s LYS 82 Cb 0.06 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 2cbs s LYS 82 CO -0.09 0.24 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.41 2cbs s SER 83 N 0.52 3.64 -0.09 2.83 0.01 0.18 -0.84 113.70 119.95 2cbs s SER 83 Ca 0.07 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2cbs s SER 83 Cb -0.12 -0.37 0.05 0.00 0.21 0.00 0.00 66.02 65.79 2cbs s SER 83 CO -0.00 0.12 0.13 -0.22 0.41 0.00 0.00 173.24 173.67 2cbs s LEU 84 N -2.72 0.02 -0.09 2.44 2.96 -1.00 -0.90 118.68 119.39 2cbs s LEU 84 Ca 0.22 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2cbs s LEU 84 Cb -0.08 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 2cbs s LEU 84 CO 0.11 -0.26 0.10 -0.69 -1.32 0.00 0.00 176.35 174.30 2cbs s VAL 85 N 2.25 5.13 0.05 1.68 1.01 -1.26 -2.17 120.40 127.08 2cbs s VAL 85 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2cbs s VAL 85 Cb -0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2cbs s VAL 85 CO -0.06 0.56 -0.04 -0.54 0.00 0.00 0.00 175.10 175.03 2cbs s LYS 86 N -1.14 0.53 -0.39 2.72 1.02 -0.65 0.34 119.74 122.16 2cbs s LYS 86 Ca 0.16 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 2cbs s LYS 86 Cb -0.12 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2cbs s LYS 86 CO 0.06 -0.05 0.98 -1.58 -0.92 0.00 0.00 175.35 173.83 2cbs s TRP 87 N -2.68 3.03 0.11 3.18 0.52 -1.26 -1.23 118.94 120.61 2cbs s TRP 87 Ca -0.03 0.77 0.03 0.00 0.02 0.00 0.00 56.10 56.90 2cbs s TRP 87 Cb -0.01 -3.82 -0.21 0.00 -1.15 0.00 0.00 33.47 28.28 2cbs s TRP 87 CO -0.05 -0.93 1.25 1.49 0.02 0.00 0.00 176.95 178.74 2cbs h GLU 88 N 8.62 0.10 -3.60 4.98 4.81 -1.09 -3.48 114.58 124.93 2cbs h GLU 88 Ca -0.23 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.71 2cbs h GLU 88 Cb 1.07 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 2cbs h GLU 88 CO 1.02 1.06 -0.00 -1.54 -0.73 0.00 0.00 179.01 178.82 2cbs s SER 89 N -6.87 0.35 0.29 1.04 1.04 -1.08 -4.99 113.70 103.47 2cbs s SER 89 Ca -0.01 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.25 2cbs s SER 89 Cb 0.09 0.71 0.68 0.00 0.10 0.00 0.00 66.02 67.61 2cbs s SER 89 CO 0.84 -1.40 1.76 -0.08 0.98 0.00 0.00 173.24 175.34 2cbs h GLU 90 N 2.10 0.66 -0.08 4.02 4.81 -2.02 -2.77 114.58 121.30 2cbs h GLU 90 Ca -0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2cbs h GLU 90 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2cbs h GLU 90 CO 0.38 0.44 0.00 0.09 -0.73 0.00 0.00 179.01 179.18 2cbs n ASN 91 N -4.83 2.74 -3.88 1.04 3.02 -1.26 -4.95 115.26 107.13 2cbs n ASN 91 Ca 0.21 -2.97 -0.26 0.00 -0.03 0.00 0.00 54.58 51.53 2cbs n ASN 91 Cb 0.55 -0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 39.12 2cbs n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2cbs s LYS 92 N -2.70 1.35 -0.07 3.52 2.20 -1.05 -1.27 119.74 121.72 2cbs s LYS 92 Ca 0.32 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2cbs s LYS 92 Cb 0.27 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.10 2cbs s LYS 92 CO 0.05 -0.27 -0.03 0.00 -0.36 0.00 0.00 175.35 174.74 2cbs s MET 93 N 1.73 2.87 -0.07 4.03 0.23 -0.40 -0.43 119.30 127.26 2cbs s MET 93 Ca 0.04 -0.48 0.04 0.00 -1.03 0.00 0.00 55.69 54.27 2cbs s MET 93 Cb -0.13 -2.70 -0.01 0.00 -1.53 0.00 0.00 34.83 30.46 2cbs s MET 93 CO -0.07 0.68 -0.21 0.08 -2.03 0.00 0.00 175.02 173.47 2cbs s VAL 94 N -0.87 2.39 -0.15 5.16 1.01 -0.36 -1.63 120.40 125.95 2cbs s VAL 94 Ca 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2cbs s VAL 94 Cb -0.11 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2cbs s VAL 94 CO 0.02 0.56 -0.20 0.00 0.00 0.00 0.00 175.10 175.48 2cbs s GLU 96 N 0.95 4.02 0.13 0.00 2.12 -0.92 -1.96 118.70 123.03 2cbs s GLU 96 Ca -0.04 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.03 2cbs s GLU 96 Cb -0.15 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2cbs s GLU 96 CO -0.05 0.14 0.10 -0.65 -0.54 0.00 0.00 175.26 174.27 2cbs s GLN 97 N 0.79 2.87 -0.12 4.30 -0.21 -1.10 -2.37 119.66 123.81 2cbs s GLN 97 Ca 0.06 -0.80 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 2cbs s GLN 97 Cb -0.13 -2.67 0.06 0.00 1.00 0.00 0.00 33.01 31.27 2cbs s GLN 97 CO 0.02 0.52 0.17 0.21 -2.12 0.00 0.00 175.29 174.09 2cbs s LYS 98 N -2.78 0.07 0.36 2.91 2.36 -0.02 -4.64 119.74 118.00 2cbs s LYS 98 Ca 0.30 0.41 -0.28 0.00 -2.55 0.00 0.00 55.97 53.85 2cbs s LYS 98 Cb -0.11 -0.67 -0.12 0.00 -1.05 0.00 0.00 37.83 35.88 2cbs s LYS 98 CO 0.22 -0.43 1.31 1.28 1.55 0.00 0.00 175.35 179.28 2cbs n LEU 99 N 5.32 3.75 0.08 5.43 4.77 -1.26 -0.02 117.00 135.07 2cbs n LEU 99 Ca -0.05 1.20 -0.04 0.00 -0.03 0.00 0.00 56.01 57.09 2cbs n LEU 99 Cb 0.50 -1.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.01 2cbs n LEU 99 CO 0.06 -0.44 0.19 -0.07 -1.33 0.00 0.00 177.39 175.80 2cbs h LEU 100 N 2.53 0.00 -7.88 2.23 3.38 -1.79 -3.45 115.31 110.32 2cbs h LEU 100 Ca -0.47 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 2cbs h LEU 100 Cb 1.28 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.81 2cbs h LEU 100 CO 0.62 0.82 -0.65 -0.54 0.09 0.00 0.00 178.44 178.78 2cbs s LYS 101 N -2.79 0.30 1.44 1.13 3.01 -1.26 -5.11 119.74 116.45 2cbs s LYS 101 Ca 0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 54.53 2cbs s LYS 101 Cb 0.09 0.11 0.00 0.00 -1.01 0.00 0.00 37.83 37.02 2cbs s LYS 101 CO 0.80 -0.06 0.00 0.41 0.51 0.00 0.00 175.35 177.01 2cbs n GLY 102 N 1.83 -1.41 3.76 -3.33 0.00 -1.26 -4.97 105.19 99.82 2cbs n GLY 102 Ca -0.22 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 2cbs n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cbs s GLU 103 N -0.32 2.19 0.00 1.61 -1.05 -1.26 -4.89 118.70 114.99 2cbs s GLU 103 Ca 0.00 -2.04 0.00 0.00 -0.15 0.00 0.00 54.97 52.78 2cbs s GLU 103 Cb 0.00 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.83 2cbs s GLU 103 CO 0.00 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.35 2cbs n GLY 104 N -1.32 0.14 3.69 -3.83 0.00 -1.26 -5.12 105.19 97.49 2cbs n GLY 104 Ca -0.06 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 2cbs n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cbs n PRO 105 N -0.76 0.96 -2.32 1.61 -0.02 -1.26 -4.92 135.00 128.29 2cbs n PRO 105 Ca 0.00 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2cbs n PRO 105 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.05 2cbs n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2cbs s LYS 106 N -3.24 4.32 0.17 -0.52 2.47 -1.26 -4.79 119.74 116.89 2cbs s LYS 106 Ca 0.80 1.85 0.09 0.00 -1.56 0.00 0.00 55.97 57.15 2cbs s LYS 106 Cb -0.38 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2cbs s LYS 106 CO 0.43 -0.50 -0.18 0.95 0.16 0.00 0.00 175.35 176.21 2cbs s THR 107 N 2.17 1.86 0.15 3.43 -4.23 -1.26 -0.72 115.64 117.05 2cbs s THR 107 Ca 0.61 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 2cbs s THR 107 Cb -0.29 -1.89 0.07 0.00 1.34 0.00 0.00 72.50 71.73 2cbs s THR 107 CO 0.25 -0.33 1.03 -0.94 -0.54 0.00 0.00 174.62 174.09 2cbs s SER 108 N -2.75 -0.07 0.14 3.99 1.04 -1.11 -2.71 113.70 112.22 2cbs s SER 108 Ca 0.17 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 2cbs s SER 108 Cb -0.05 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2cbs s SER 108 CO 0.07 -0.90 0.31 -1.66 0.98 0.00 0.00 173.24 172.05 2cbs s TRP 109 N -2.65 0.14 -0.00 5.02 1.48 -0.83 -1.21 118.94 120.88 2cbs s TRP 109 Ca 0.17 -0.51 -0.06 0.00 -1.06 0.00 0.00 56.10 54.65 2cbs s TRP 109 Cb -0.01 0.07 -0.00 0.00 -1.16 0.00 0.00 33.47 32.36 2cbs s TRP 109 CO 0.03 -0.69 0.11 0.95 -4.06 0.00 0.00 176.95 173.29 2cbs s THR 110 N -3.89 0.07 -0.05 0.66 -4.23 -0.50 0.10 115.64 107.79 2cbs s THR 110 Ca 0.10 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2cbs s THR 110 Cb 0.03 -0.36 0.02 0.00 1.34 0.00 0.00 72.50 73.52 2cbs s THR 110 CO -0.06 -0.33 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.47 2cbs s ARG 111 N -1.12 1.35 -0.01 3.99 0.52 -0.65 -1.60 118.95 121.43 2cbs s ARG 111 Ca -0.12 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2cbs s ARG 111 Cb -0.07 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.23 2cbs s ARG 111 CO 0.01 0.00 -0.05 -2.00 0.02 0.00 0.00 175.30 173.28 2cbs s GLU 112 N 0.70 0.49 -0.30 3.54 2.12 -0.17 -1.28 118.70 123.81 2cbs s GLU 112 Ca -0.13 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 54.89 2cbs s GLU 112 Cb -0.15 -0.50 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 2cbs s GLU 112 CO 0.02 0.06 0.44 -1.17 -0.54 0.00 0.00 175.26 174.07 2cbs s LEU 113 N 0.18 4.19 0.61 2.70 2.96 -0.40 -0.82 118.68 128.11 2cbs s LEU 113 Ca -0.02 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 2cbs s LEU 113 Cb -0.06 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.14 2cbs s LEU 113 CO -0.00 -0.32 0.93 0.42 -1.32 0.00 0.00 176.35 176.05 2cbs s THR 114 N 2.21 3.38 -0.30 3.68 -4.23 0.11 -4.84 115.64 115.65 2cbs s THR 114 Ca 0.17 -0.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.91 2cbs s THR 114 Cb -0.16 -3.36 0.29 0.00 1.34 0.00 0.00 72.50 70.61 2cbs s THR 114 CO 0.11 -0.38 1.80 -0.55 -0.54 0.00 0.00 174.62 175.06 2cbs h ASN 115 N -0.27 0.00 -0.13 3.99 7.08 -1.97 -2.66 115.58 121.63 2cbs h ASN 115 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2cbs h ASN 115 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 2cbs h ASN 115 CO 0.61 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 175.06 2cbs n ASP 116 N -2.50 1.53 0.00 6.14 5.75 -1.26 -4.90 116.55 121.31 2cbs n ASP 116 Ca 0.02 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 2cbs n ASP 116 Cb 0.26 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2cbs n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cbs n GLY 117 N 1.12 0.61 3.95 6.12 0.00 -1.00 -5.09 105.19 110.90 2cbs n GLY 117 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2cbs n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cbs s GLU 118 N -0.89 2.94 -0.13 1.61 2.02 -1.26 -4.63 118.70 118.35 2cbs s GLU 118 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.53 2cbs s GLU 118 Cb 0.00 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2cbs s GLU 118 CO 0.00 -0.42 -0.22 -1.17 0.02 0.00 0.00 175.26 173.47 2cbs s LEU 119 N -4.65 2.09 -0.18 1.80 2.96 -0.10 -0.71 118.68 119.89 2cbs s LEU 119 Ca 0.51 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2cbs s LEU 119 Cb -0.10 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2cbs s LEU 119 CO 0.39 0.09 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.86 2cbs s ILE 120 N 0.76 3.91 -0.13 6.68 1.01 -0.00 -0.06 121.20 133.37 2cbs s ILE 120 Ca -0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2cbs s ILE 120 Cb -0.16 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2cbs s ILE 120 CO -0.00 0.46 -0.13 -0.22 0.00 0.00 0.00 174.94 175.04 2cbs s LEU 121 N 0.73 2.73 -0.03 2.97 2.96 0.11 -0.99 118.68 127.15 2cbs s LEU 121 Ca -0.01 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2cbs s LEU 121 Cb -0.14 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2cbs s LEU 121 CO 0.02 0.17 -0.19 0.42 -1.32 0.00 0.00 176.35 175.46 2cbs s THR 122 N 0.30 1.53 -0.06 3.68 -4.23 -0.63 -0.09 115.64 116.15 2cbs s THR 122 Ca -0.10 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 2cbs s THR 122 Cb -0.16 -1.30 -0.00 0.00 1.34 0.00 0.00 72.50 72.38 2cbs s THR 122 CO 0.05 0.44 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.34 2cbs s MET 123 N -0.16 2.17 0.13 3.99 -1.94 -0.17 -1.41 119.30 121.90 2cbs s MET 123 Ca 0.00 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.37 2cbs s MET 123 Cb -0.10 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 2cbs s MET 123 CO 0.01 0.24 -0.23 0.99 -0.01 0.00 0.00 175.02 176.03 2cbs s THR 124 N 0.12 1.94 -0.23 2.05 2.01 -0.35 -0.43 115.64 120.74 2cbs s THR 124 Ca -0.08 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.20 2cbs s THR 124 Cb -0.14 -1.77 0.10 0.00 0.01 0.00 0.00 72.50 70.71 2cbs s THR 124 CO 0.04 -0.05 0.23 0.00 -0.69 0.00 0.00 174.62 174.15 2cbs s ALA 125 N -1.28 -0.23 0.00 7.40 0.00 -0.67 -2.74 121.76 124.23 2cbs s ALA 125 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2cbs s ALA 125 Cb -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2cbs s ALA 125 CO 0.05 -1.37 0.00 -0.25 0.00 0.00 0.00 175.76 174.20 2cbs n ASP 126 N 5.31 0.00 -0.26 0.00 8.00 0.10 -1.23 116.55 128.47 2cbs n ASP 126 Ca -0.05 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.57 2cbs n ASP 126 Cb 0.48 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.77 2cbs n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2cbs n ASP 127 N 8.39 1.25 -4.75 -2.24 5.75 -1.26 -4.91 116.55 118.79 2cbs n ASP 127 Ca 0.00 -1.00 -0.39 0.00 -0.01 0.00 0.00 54.79 53.39 2cbs n ASP 127 Cb 0.00 0.35 -0.05 0.00 -1.03 0.00 0.00 41.12 40.39 2cbs n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cbs s VAL 128 N -2.62 4.93 -0.13 2.12 1.01 -0.36 -5.06 120.40 120.29 2cbs s VAL 128 Ca 0.19 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.49 2cbs s VAL 128 Cb 0.18 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2cbs s VAL 128 CO 0.60 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 175.22 2cbs s VAL 129 N 0.05 1.69 -0.20 2.92 1.01 -1.26 -1.67 120.40 122.94 2cbs s VAL 129 Ca 0.33 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2cbs s VAL 129 Cb -0.18 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2cbs s VAL 129 CO 0.17 0.48 0.10 0.00 0.00 0.00 0.00 175.10 175.85 2cbs s THR 131 N 0.51 2.85 -0.07 0.00 2.01 -0.73 -1.00 115.64 119.21 2cbs s THR 131 Ca 0.05 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2cbs s THR 131 Cb -0.12 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2cbs s THR 131 CO 0.00 0.51 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.15 2cbs s ARG 132 N 0.74 2.05 -0.09 4.92 1.81 0.87 -0.93 118.95 128.33 2cbs s ARG 132 Ca -0.06 -0.55 0.03 0.00 -1.72 0.00 0.00 55.73 53.44 2cbs s ARG 132 Cb -0.15 -1.65 -0.01 0.00 -0.45 0.00 0.00 34.95 32.69 2cbs s ARG 132 CO 0.01 0.09 -0.20 0.08 -0.68 0.00 0.00 175.30 174.60 2cbs s VAL 133 N 0.52 2.47 0.31 3.52 1.01 0.79 0.04 120.40 129.05 2cbs s VAL 133 Ca -0.15 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2cbs s VAL 133 Cb -0.16 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 2cbs s VAL 133 CO 0.05 0.56 -0.06 -0.31 0.00 0.00 0.00 175.10 175.34 2cbs s TYR 134 N 0.04 2.11 0.01 5.22 1.51 0.91 -0.48 117.35 126.68 2cbs s TYR 134 Ca -0.08 -0.65 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 2cbs s TYR 134 Cb -0.15 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 2cbs s TYR 134 CO 0.05 0.36 0.16 0.54 -1.11 0.00 0.00 175.55 175.56 2cbs s VAL 135 N -2.89 0.08 0.54 0.71 0.11 -0.74 -0.93 120.40 117.28 2cbs s VAL 135 Ca 0.31 -0.70 -0.21 0.00 -2.93 0.00 0.00 61.98 58.45 2cbs s VAL 135 Cb 0.04 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2cbs s VAL 135 CO 0.14 -0.38 1.25 -0.13 -3.33 0.00 0.00 175.10 172.65 2cbs s ARG 136 N -1.52 3.25 0.00 1.54 0.52 -1.26 -1.30 118.95 120.17 2cbs s ARG 136 Ca -0.14 1.97 0.25 0.00 -0.52 0.00 0.00 55.73 57.29 2cbs s ARG 136 Cb -0.07 -2.19 1.47 0.00 0.52 0.00 0.00 34.95 34.69 2cbs s ARG 136 CO 0.01 -1.02 1.83 0.39 0.02 0.00 0.00 175.30 176.54