#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbs s ASN 2 N 0.00 4.47 0.00 3.54 2.47 -1.26 -4.96 114.94 119.20 1cbs s ASN 2 Ca 0.00 -1.93 0.29 0.00 0.42 0.00 0.00 52.86 51.64 1cbs s ASN 2 Cb 0.00 -1.34 1.25 0.00 -1.45 0.00 0.00 41.25 39.71 1cbs s ASN 2 CO 0.00 -0.39 1.93 0.49 -3.72 0.00 0.00 177.10 175.42 1cbs n PHE 3 N 4.48 0.00 -1.70 0.43 3.01 -1.26 -4.94 117.46 117.49 1cbs n PHE 3 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1cbs n PHE 3 Cb 0.42 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.39 1cbs n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1cbs n SER 4 N -1.49 2.70 0.00 4.37 7.64 -1.26 -4.73 113.62 120.84 1cbs n SER 4 Ca 0.07 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1cbs n SER 4 Cb 0.34 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1cbs n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbs n GLY 5 N 0.79 1.21 3.43 0.23 0.00 -0.38 -4.96 105.19 105.50 1cbs n GLY 5 Ca 0.05 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1cbs n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cbs s ASN 6 N 0.00 5.48 -0.07 1.61 0.01 -1.26 -1.31 114.94 119.40 1cbs s ASN 6 Ca 0.00 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 51.61 1cbs s ASN 6 Cb 0.00 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 1cbs s ASN 6 CO 0.00 -0.19 0.00 0.26 -1.51 0.00 0.00 177.10 175.67 1cbs s TRP 7 N 1.60 3.15 0.01 2.20 0.52 0.32 -0.75 118.94 125.98 1cbs s TRP 7 Ca 0.04 0.17 0.08 0.00 0.02 0.00 0.00 56.10 56.42 1cbs s TRP 7 Cb -0.17 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 1cbs s TRP 7 CO 0.06 0.47 -0.25 -1.59 0.02 0.00 0.00 176.95 175.65 1cbs s LYS 8 N -1.04 2.01 0.35 4.98 -2.85 0.10 -2.88 119.74 120.41 1cbs s LYS 8 Ca 0.15 -0.99 -0.25 0.00 -1.00 0.00 0.00 55.97 53.87 1cbs s LYS 8 Cb -0.11 -2.04 -0.10 0.00 -2.06 0.00 0.00 37.83 33.52 1cbs s LYS 8 CO 0.04 0.54 0.99 -1.50 0.10 0.00 0.00 175.35 175.52 1cbs s ILE 9 N -0.71 4.01 0.00 3.79 2.07 -1.26 -1.39 121.20 127.71 1cbs s ILE 9 Ca 0.11 1.62 0.00 0.00 -1.41 0.00 0.00 60.65 60.97 1cbs s ILE 9 Cb -0.10 -3.88 0.00 0.00 0.13 0.00 0.00 42.46 38.61 1cbs s ILE 9 CO 0.01 0.09 0.00 2.30 -1.91 0.00 0.00 174.94 175.42 1cbs n ILE 10 N 0.33 0.00 -3.64 2.00 -5.35 0.38 -4.90 119.36 108.18 1cbs n ILE 10 Ca 0.03 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 1cbs n ILE 10 Cb 0.50 0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 1cbs n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1cbs s ARG 11 N -0.86 0.78 -0.04 6.28 3.52 -1.14 -4.98 118.95 122.53 1cbs s ARG 11 Ca 0.00 0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 56.57 1cbs s ARG 11 Cb 0.00 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 1cbs s ARG 11 CO 0.00 -0.10 0.06 0.45 -0.81 0.00 0.00 175.30 174.90 1cbs s SER 12 N 0.52 0.33 -0.02 -2.12 0.15 -1.26 -0.93 113.70 110.37 1cbs s SER 12 Ca -0.01 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.78 1cbs s SER 12 Cb -0.05 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1cbs s SER 12 CO -0.02 -0.17 -0.14 -1.61 1.20 0.00 0.00 173.24 172.51 1cbs s GLU 13 N 1.42 1.28 -1.53 5.44 0.41 0.44 -4.86 118.70 121.30 1cbs s GLU 13 Ca -0.05 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 1cbs s GLU 13 Cb -0.12 -1.20 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 1cbs s GLU 13 CO -0.04 0.26 0.00 -1.71 -0.49 0.00 0.00 175.26 173.28 1cbs n ASN 14 N 2.94 -4.77 -0.03 -0.19 5.15 -1.26 -1.84 115.26 115.26 1cbs n ASN 14 Ca -0.16 0.26 -0.12 0.00 -0.60 0.00 0.00 54.58 53.96 1cbs n ASN 14 Cb 0.54 -3.70 -0.08 0.00 -0.53 0.00 0.00 39.78 36.02 1cbs n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1cbs h PHE 15 N 0.00 0.17 -0.88 1.20 3.57 -1.91 -2.38 116.94 116.71 1cbs h PHE 15 Ca -0.33 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 1cbs h PHE 15 Cb 1.08 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1cbs h PHE 15 CO 0.42 0.45 0.48 1.49 -2.23 0.00 0.00 178.31 178.92 1cbs h GLU 16 N -0.16 1.22 -0.58 1.11 4.81 -1.97 -2.30 114.58 116.71 1cbs h GLU 16 Ca 0.02 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1cbs h GLU 16 Cb 0.39 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1cbs h GLU 16 CO 0.01 0.89 0.34 0.93 -0.73 0.00 0.00 179.01 180.45 1cbs h GLU 17 N 1.23 0.79 -0.45 1.92 3.07 -1.95 -0.59 114.58 118.60 1cbs h GLU 17 Ca 0.31 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 1cbs h GLU 17 Cb 0.03 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 1cbs h GLU 17 CO -0.05 0.57 0.05 1.25 -1.40 0.00 0.00 179.01 179.43 1cbs h LEU 18 N 0.81 0.73 -1.28 1.33 5.85 -1.00 -2.57 115.31 119.18 1cbs h LEU 18 Ca 0.21 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1cbs h LEU 18 Cb -0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1cbs h LEU 18 CO -0.04 0.82 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.62 1cbs h LEU 19 N 0.61 0.24 -0.31 2.25 3.38 -0.80 -2.35 115.31 118.33 1cbs h LEU 19 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1cbs h LEU 19 Cb 0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cbs h LEU 19 CO 0.01 0.45 0.05 0.50 0.09 0.00 0.00 178.44 179.55 1cbs h LYS 20 N 0.23 0.51 -0.52 1.13 3.64 -0.89 -1.85 116.57 118.82 1cbs h LYS 20 Ca 0.04 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1cbs h LYS 20 Cb 0.48 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1cbs h LYS 20 CO 0.03 0.61 0.21 0.28 -2.27 0.00 0.00 179.45 178.31 1cbs h VAL 21 N 0.34 1.19 0.00 2.00 2.07 -1.20 -1.38 116.25 119.26 1cbs h VAL 21 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1cbs h VAL 21 Cb 0.34 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1cbs h VAL 21 CO 0.01 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.01 1cbs n LEU 22 N -4.35 0.00 0.00 2.57 4.77 -0.91 -4.87 117.00 114.22 1cbs n LEU 22 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1cbs n LEU 22 Cb 0.16 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1cbs n LEU 22 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1cbs n GLY 23 N 0.64 0.51 3.71 -0.72 0.00 -0.52 -5.04 105.19 103.78 1cbs n GLY 23 Ca 0.12 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1cbs n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbs s VAL 24 N -2.00 4.81 0.85 1.61 1.01 -0.74 -5.02 120.40 120.92 1cbs s VAL 24 Ca 0.00 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 1cbs s VAL 24 Cb 0.00 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 32.19 1cbs s VAL 24 CO 0.00 0.16 1.10 0.54 0.00 0.00 0.00 175.10 176.90 1cbs s ASN 25 N 1.00 3.75 0.19 3.32 2.20 -1.26 -4.62 114.94 119.53 1cbs s ASN 25 Ca 0.52 1.85 -0.17 0.00 -0.94 0.00 0.00 52.86 54.12 1cbs s ASN 25 Cb -0.22 -2.46 0.17 0.00 -2.00 0.00 0.00 41.25 36.74 1cbs s ASN 25 CO 0.28 -2.52 1.61 0.58 -2.94 0.00 0.00 177.10 174.11 1cbs h VAL 26 N -1.46 0.29 -0.46 3.54 2.07 -1.99 -0.25 116.25 117.98 1cbs h VAL 26 Ca -0.45 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1cbs h VAL 26 Cb 1.25 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1cbs h VAL 26 CO 0.49 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 178.14 1cbs h MET 27 N -0.10 0.90 -0.18 1.57 2.86 -2.00 -1.93 114.93 116.05 1cbs h MET 27 Ca 0.26 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1cbs h MET 27 Cb 0.50 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1cbs h MET 27 CO -0.63 1.00 -0.38 -0.07 1.06 0.00 0.00 176.91 177.89 1cbs h LEU 28 N 0.79 0.42 -0.46 1.22 3.38 -1.82 -2.79 115.31 116.04 1cbs h LEU 28 Ca 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1cbs h LEU 28 Cb 0.72 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1cbs h LEU 28 CO 0.06 0.76 0.18 0.03 0.09 0.00 0.00 178.44 179.55 1cbs h ARG 29 N 0.34 0.69 -0.46 1.13 3.08 -0.81 -0.98 114.38 117.36 1cbs h ARG 29 Ca 0.03 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1cbs h ARG 29 Cb 0.82 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 1cbs h ARG 29 CO 0.07 0.63 0.12 -0.22 -1.07 0.00 0.00 179.97 179.50 1cbs h LYS 30 N 0.60 0.26 -0.12 0.04 3.64 -1.15 0.25 116.57 120.10 1cbs h LYS 30 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1cbs h LYS 30 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1cbs h LYS 30 CO -0.01 0.17 0.05 0.82 -2.27 0.00 0.00 179.45 178.21 1cbs h ILE 31 N 0.27 1.14 -0.16 2.00 2.04 -1.23 -2.95 117.51 118.61 1cbs h ILE 31 Ca 0.22 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1cbs h ILE 31 Cb 0.26 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1cbs h ILE 31 CO -0.26 0.12 0.10 0.00 0.00 0.00 0.00 178.15 178.11 1cbs h ALA 32 N 0.90 0.21 -0.86 1.87 0.00 -0.65 -2.64 119.26 118.10 1cbs h ALA 32 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1cbs h ALA 32 Cb 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1cbs h ALA 32 CO -0.00 -0.28 0.56 0.28 0.00 0.00 0.00 179.25 179.81 1cbs h VAL 33 N 0.18 1.17 -0.27 0.00 2.07 -0.98 -0.15 116.25 118.28 1cbs h VAL 33 Ca 0.06 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1cbs h VAL 33 Cb 0.04 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1cbs h VAL 33 CO -0.01 0.20 0.01 0.00 0.02 0.00 0.00 177.57 177.79 1cbs h ALA 34 N 1.34 0.36 -0.31 1.67 0.00 -1.43 -2.94 119.26 117.95 1cbs h ALA 34 Ca 0.33 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1cbs h ALA 34 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cbs h ALA 34 CO -0.10 0.08 -0.28 0.00 0.00 0.00 0.00 179.25 178.95 1cbs h ALA 35 N 0.83 0.93 0.00 0.00 0.00 -1.23 -3.04 119.26 116.76 1cbs h ALA 35 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cbs h ALA 35 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cbs h ALA 35 CO 0.01 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1cbs n ALA 36 N -2.50 1.98 0.56 0.00 0.00 -0.09 -3.14 120.51 117.32 1cbs n ALA 36 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1cbs n ALA 36 Cb 0.45 -1.33 0.44 0.00 0.00 0.00 0.00 19.45 19.00 1cbs n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cbs n SER 37 N -1.43 0.76 -3.19 0.00 3.41 -1.12 -4.12 113.62 107.93 1cbs n SER 37 Ca 0.06 0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 59.06 1cbs n SER 37 Cb 0.22 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 1cbs n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1cbs n LYS 38 N -2.25 1.27 -2.48 4.33 2.85 -1.19 -4.95 118.16 115.74 1cbs n LYS 38 Ca 0.04 -3.61 -0.30 0.00 -1.05 0.00 0.00 58.31 53.40 1cbs n LYS 38 Cb 0.36 -1.63 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 1cbs n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1cbs s PRO 39 N -2.05 3.67 -0.21 -1.58 0.04 -1.26 -4.86 135.00 128.75 1cbs s PRO 39 Ca 0.39 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1cbs s PRO 39 Cb 0.25 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1cbs s PRO 39 CO -0.09 -0.25 -0.04 0.00 0.04 0.00 0.00 177.00 176.66 1cbs s ALA 40 N -2.73 2.84 -0.12 8.56 0.00 -0.38 -4.62 121.76 125.32 1cbs s ALA 40 Ca 0.52 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1cbs s ALA 40 Cb -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1cbs s ALA 40 CO 0.42 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.71 1cbs s VAL 41 N 1.32 2.21 -0.12 0.00 1.01 -1.14 -0.76 120.40 122.92 1cbs s VAL 41 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1cbs s VAL 41 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1cbs s VAL 41 CO -0.02 0.55 -0.15 -0.70 0.00 0.00 0.00 175.10 174.78 1cbs s GLU 42 N 0.52 2.27 -0.06 2.72 2.12 -0.32 -0.52 118.70 125.43 1cbs s GLU 42 Ca -0.13 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1cbs s GLU 42 Cb -0.17 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 1cbs s GLU 42 CO 0.05 -0.10 -0.24 0.42 -0.54 0.00 0.00 175.26 174.85 1cbs s ILE 43 N 1.08 1.96 -0.12 -3.70 1.01 -0.43 -1.16 121.20 119.84 1cbs s ILE 43 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1cbs s ILE 43 Cb -0.14 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1cbs s ILE 43 CO -0.03 0.54 -0.12 -0.54 0.00 0.00 0.00 174.94 174.79 1cbs s LYS 44 N -0.04 1.97 -0.05 2.79 1.02 -0.59 -1.24 119.74 123.60 1cbs s LYS 44 Ca -0.06 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.54 1cbs s LYS 44 Cb -0.14 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1cbs s LYS 44 CO 0.04 -0.19 -0.22 -1.14 -0.92 0.00 0.00 175.35 172.92 1cbs s GLN 45 N 1.40 2.23 -0.39 1.68 0.74 -1.26 -1.43 119.66 122.63 1cbs s GLN 45 Ca 0.01 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.63 1cbs s GLN 45 Cb -0.13 -1.92 0.13 0.00 1.10 0.00 0.00 33.01 32.19 1cbs s GLN 45 CO -0.07 0.34 0.21 -1.21 -0.55 0.00 0.00 175.29 174.02 1cbs s GLU 46 N -0.13 0.94 7.83 1.67 0.41 -0.27 -4.91 118.70 124.24 1cbs s GLU 46 Ca -0.03 -1.65 0.00 0.00 -0.41 0.00 0.00 54.97 52.89 1cbs s GLU 46 Cb -0.13 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 1cbs s GLU 46 CO 0.03 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.04 1cbs n GLY 47 N 3.87 3.05 1.43 -1.39 0.00 -1.26 -2.00 105.19 108.90 1cbs n GLY 47 Ca 0.09 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1cbs n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbs n ASP 48 N 9.16 4.35 -4.62 1.61 8.00 -1.26 -4.90 116.55 128.89 1cbs n ASP 48 Ca 0.00 -2.27 -0.35 0.00 0.71 0.00 0.00 54.79 52.89 1cbs n ASP 48 Cb 0.00 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1cbs n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1cbs s THR 49 N -1.50 4.73 0.08 -3.53 2.01 -0.85 -1.27 115.64 115.32 1cbs s THR 49 Ca 0.49 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.50 1cbs s THR 49 Cb 0.29 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1cbs s THR 49 CO 0.27 0.46 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.12 1cbs s PHE 50 N 0.41 1.50 -0.07 4.92 0.40 0.04 -1.11 117.98 124.07 1cbs s PHE 50 Ca 0.03 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1cbs s PHE 50 Cb -0.13 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.59 1cbs s PHE 50 CO 0.00 0.12 -0.06 -0.47 0.70 0.00 0.00 175.22 175.52 1cbs s TYR 51 N -1.18 1.06 -0.11 0.36 5.04 -0.51 -1.61 117.35 120.40 1cbs s TYR 51 Ca 0.02 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.24 1cbs s TYR 51 Cb -0.10 -0.92 0.03 0.00 0.35 0.00 0.00 41.96 41.32 1cbs s TYR 51 CO 0.03 -0.33 -0.05 0.42 -1.34 0.00 0.00 175.55 174.28 1cbs s ILE 52 N 1.33 0.86 -0.19 3.14 1.01 -0.46 -1.54 121.20 125.35 1cbs s ILE 52 Ca -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1cbs s ILE 52 Cb -0.14 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1cbs s ILE 52 CO -0.03 0.30 -0.11 -0.75 0.00 0.00 0.00 174.94 174.35 1cbs s LYS 53 N 1.77 3.24 -0.19 2.79 2.20 -0.31 -0.99 119.74 128.25 1cbs s LYS 53 Ca 0.04 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1cbs s LYS 53 Cb -0.13 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1cbs s LYS 53 CO -0.07 -0.13 -0.17 0.99 -0.36 0.00 0.00 175.35 175.60 1cbs s THR 54 N 1.22 2.24 -0.04 3.43 2.01 -0.24 -1.17 115.64 123.10 1cbs s THR 54 Ca 0.02 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1cbs s THR 54 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1cbs s THR 54 CO -0.05 0.47 -0.25 -0.55 -0.69 0.00 0.00 174.62 173.55 1cbs s SER 55 N 1.30 2.99 0.18 3.53 0.15 0.06 -1.30 113.70 120.61 1cbs s SER 55 Ca 0.04 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 1cbs s SER 55 Cb -0.14 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1cbs s SER 55 CO -0.11 0.27 0.13 0.42 1.20 0.00 0.00 173.24 175.15 1cbs s THR 56 N -0.35 0.03 0.51 6.45 -4.23 -0.82 -1.24 115.64 115.99 1cbs s THR 56 Ca 0.03 -1.94 0.40 0.00 -1.18 0.00 0.00 61.69 58.99 1cbs s THR 56 Cb -0.12 -2.34 0.41 0.00 1.34 0.00 0.00 72.50 71.80 1cbs s THR 56 CO 0.01 -0.14 2.25 0.71 -0.54 0.00 0.00 174.62 176.91 1cbs h THR 57 N 2.68 0.10 0.00 3.99 1.35 -1.91 -3.18 112.91 115.94 1cbs h THR 57 Ca -0.35 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1cbs h THR 57 Cb 1.23 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1cbs h THR 57 CO 0.54 0.01 -0.42 1.33 -0.25 0.00 0.00 175.52 176.73 1cbs n VAL 58 N -3.20 0.00 -3.64 6.82 0.24 -1.26 -5.04 118.33 112.25 1cbs n VAL 58 Ca -0.02 -0.30 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 1cbs n VAL 58 Cb 0.14 0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 33.41 1cbs n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cbs s ARG 59 N -1.80 0.43 -0.04 7.34 3.52 -1.20 -5.16 118.95 122.05 1cbs s ARG 59 Ca 0.03 0.61 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 1cbs s ARG 59 Cb 0.06 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1cbs s ARG 59 CO 0.33 -0.07 -0.12 0.99 -0.81 0.00 0.00 175.30 175.63 1cbs s THR 60 N 0.75 1.02 0.04 4.11 2.01 -1.26 -1.94 115.64 120.36 1cbs s THR 60 Ca -0.02 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1cbs s THR 60 Cb -0.04 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1cbs s THR 60 CO -0.11 0.31 -0.21 0.42 -0.69 0.00 0.00 174.62 174.34 1cbs s THR 61 N 0.23 1.69 -0.11 -0.82 -4.23 -0.42 -4.99 115.64 106.98 1cbs s THR 61 Ca -0.05 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1cbs s THR 61 Cb -0.11 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.31 1cbs s THR 61 CO 0.01 0.24 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.72 1cbs s GLU 62 N -1.10 0.82 0.09 3.99 2.02 -1.26 -1.08 118.70 122.18 1cbs s GLU 62 Ca 0.08 -0.12 0.10 0.00 0.02 0.00 0.00 54.97 55.04 1cbs s GLU 62 Cb -0.09 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1cbs s GLU 62 CO 0.01 -0.39 -0.24 0.96 0.02 0.00 0.00 175.26 175.62 1cbs s ILE 63 N 1.88 2.40 -0.10 -1.63 -4.36 -0.16 -4.97 121.20 114.26 1cbs s ILE 63 Ca 0.03 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1cbs s ILE 63 Cb -0.14 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1cbs s ILE 63 CO -0.07 0.22 -0.07 0.20 0.24 0.00 0.00 174.94 175.46 1cbs s ASN 64 N -1.72 1.96 0.12 4.36 0.01 -1.26 -1.35 114.94 117.06 1cbs s ASN 64 Ca 0.14 -0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 51.91 1cbs s ASN 64 Cb -0.10 -0.77 0.01 0.00 0.41 0.00 0.00 41.25 40.80 1cbs s ASN 64 CO 0.05 -0.10 0.29 0.72 -1.51 0.00 0.00 177.10 176.55 1cbs s PHE 65 N 1.50 0.06 -0.09 2.20 -0.12 -0.63 -4.93 117.98 115.97 1cbs s PHE 65 Ca 0.00 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1cbs s PHE 65 Cb -0.13 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1cbs s PHE 65 CO -0.05 -0.64 -0.20 0.21 -0.05 0.00 0.00 175.22 174.49 1cbs s LYS 66 N -3.86 2.92 0.21 1.99 2.20 -1.26 -0.78 119.74 121.16 1cbs s LYS 66 Ca 0.06 -0.82 -0.32 0.00 -0.36 0.00 0.00 55.97 54.53 1cbs s LYS 66 Cb 0.03 -2.35 -0.12 0.00 -1.51 0.00 0.00 37.83 33.88 1cbs s LYS 66 CO -0.09 0.30 1.70 0.28 -0.36 0.00 0.00 175.35 177.17 1cbs n VAL 67 N 3.21 0.05 -0.32 4.02 0.31 -0.40 -2.03 118.33 123.17 1cbs n VAL 67 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1cbs n VAL 67 Cb 0.52 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1cbs n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cbs n GLY 68 N 3.80 0.86 3.20 2.92 0.00 0.74 -5.01 105.19 111.71 1cbs n GLY 68 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1cbs n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbs s GLU 69 N -0.57 3.05 0.38 1.61 2.02 -0.86 -4.98 118.70 119.36 1cbs s GLU 69 Ca 0.00 -0.86 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 1cbs s GLU 69 Cb 0.00 -2.38 -0.10 0.00 0.10 0.00 0.00 34.13 31.74 1cbs s GLU 69 CO 0.00 0.09 1.42 -2.00 0.02 0.00 0.00 175.26 174.79 1cbs s GLU 70 N 0.57 4.08 0.27 1.61 2.12 -1.26 -4.55 118.70 121.54 1cbs s GLU 70 Ca -0.13 2.44 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 1cbs s GLU 70 Cb -0.17 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1cbs s GLU 70 CO 0.04 -0.50 0.29 -0.59 -0.54 0.00 0.00 175.26 173.96 1cbs s PHE 71 N -1.15 1.17 -0.08 5.30 -0.71 -0.39 -4.99 117.98 117.13 1cbs s PHE 71 Ca 0.54 -1.34 0.05 0.00 -1.04 0.00 0.00 56.93 55.14 1cbs s PHE 71 Cb -0.44 -0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 40.98 1cbs s PHE 71 CO 0.59 -0.86 -0.23 -2.00 -1.34 0.00 0.00 175.22 171.38 1cbs s GLU 72 N -3.73 2.83 0.00 1.99 2.12 -1.26 -0.21 118.70 120.44 1cbs s GLU 72 Ca 0.35 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1cbs s GLU 72 Cb 0.03 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1cbs s GLU 72 CO 0.17 0.29 0.00 -0.85 -0.54 0.00 0.00 175.26 174.33 1cbs n GLU 73 N 3.22 0.00 -4.12 4.30 0.28 -0.69 -4.96 120.64 118.67 1cbs n GLU 73 Ca -0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.69 1cbs n GLU 73 Cb 0.52 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.29 1cbs n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1cbs s GLN 74 N 1.57 0.69 1.01 3.44 -0.21 -1.26 -1.29 119.66 123.61 1cbs s GLN 74 Ca 0.00 -1.00 -0.14 0.00 0.02 0.00 0.00 55.36 54.24 1cbs s GLN 74 Cb 0.00 -0.34 0.19 0.00 1.00 0.00 0.00 33.01 33.86 1cbs s GLN 74 CO 0.00 0.04 1.12 0.95 -2.12 0.00 0.00 175.29 175.28 1cbs s THR 75 N -2.20 1.94 0.34 -0.19 -4.23 0.62 -4.85 115.64 107.08 1cbs s THR 75 Ca -0.01 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 1cbs s THR 75 Cb -0.04 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.51 1cbs s THR 75 CO -0.01 0.00 1.93 0.58 -0.54 0.00 0.00 174.62 176.58 1cbs h VAL 76 N -1.90 1.00 -0.08 2.29 2.07 -2.00 -0.43 116.25 117.21 1cbs h VAL 76 Ca -0.52 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1cbs h VAL 76 Cb 1.32 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1cbs h VAL 76 CO 0.55 0.15 0.00 -0.90 0.02 0.00 0.00 177.57 177.39 1cbs n ASP 77 N -4.50 0.63 0.00 0.57 5.75 -1.26 -4.92 116.55 112.82 1cbs n ASP 77 Ca 0.13 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1cbs n ASP 77 Cb 0.26 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1cbs n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbs n GLY 78 N 0.85 0.80 3.78 6.12 0.00 -0.17 -5.09 105.19 111.47 1cbs n GLY 78 Ca 0.11 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1cbs n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbs s ARG 79 N -0.68 4.03 0.34 1.61 0.52 -1.25 -4.76 118.95 118.75 1cbs s ARG 79 Ca 0.00 0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.99 1cbs s ARG 79 Cb 0.00 -3.34 -0.12 0.00 0.52 0.00 0.00 34.95 32.01 1cbs s ARG 79 CO 0.00 0.43 1.46 -2.30 0.02 0.00 0.00 175.30 174.91 1cbs n PRO 80 N 2.96 2.51 -3.77 3.54 -0.02 -1.26 -0.27 135.00 138.68 1cbs n PRO 80 Ca -0.14 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1cbs n PRO 80 Cb 0.53 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1cbs n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cbs s LYS 82 N -3.85 4.13 0.16 0.00 -0.14 -0.12 -1.71 119.74 118.22 1cbs s LYS 82 Ca 0.05 -0.25 0.10 0.00 -1.36 0.00 0.00 55.97 54.51 1cbs s LYS 82 Cb 0.03 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 1cbs s LYS 82 CO -0.10 0.26 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.40 1cbs s SER 83 N 0.45 3.16 -0.10 2.83 0.01 0.70 -1.25 113.70 119.51 1cbs s SER 83 Ca 0.07 -0.82 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 1cbs s SER 83 Cb -0.12 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 65.95 1cbs s SER 83 CO -0.01 0.10 0.13 -0.22 0.41 0.00 0.00 173.24 173.65 1cbs s LEU 84 N -2.43 0.03 -0.13 2.44 2.96 -0.97 -1.26 118.68 119.33 1cbs s LEU 84 Ca 0.16 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1cbs s LEU 84 Cb -0.08 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 1cbs s LEU 84 CO 0.08 -0.27 0.13 -0.69 -1.32 0.00 0.00 176.35 174.28 1cbs s VAL 85 N 2.24 5.41 0.08 1.68 1.01 -1.26 -1.99 120.40 127.57 1cbs s VAL 85 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1cbs s VAL 85 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1cbs s VAL 85 CO -0.06 0.60 -0.06 -0.54 0.00 0.00 0.00 175.10 175.04 1cbs s LYS 86 N -0.84 0.74 -0.42 2.72 1.02 -0.22 -0.19 119.74 122.55 1cbs s LYS 86 Ca 0.14 -1.24 -0.26 0.00 0.02 0.00 0.00 55.97 54.63 1cbs s LYS 86 Cb -0.12 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1cbs s LYS 86 CO 0.03 -0.04 0.94 -1.58 -0.92 0.00 0.00 175.35 173.79 1cbs s TRP 87 N -3.46 2.98 0.10 3.18 0.52 -1.26 -1.03 118.94 119.97 1cbs s TRP 87 Ca 0.08 0.57 -0.13 0.00 0.02 0.00 0.00 56.10 56.64 1cbs s TRP 87 Cb 0.04 -3.87 -0.15 0.00 -1.15 0.00 0.00 33.47 28.34 1cbs s TRP 87 CO -0.06 -1.00 1.31 1.49 0.02 0.00 0.00 176.95 178.71 1cbs h GLU 88 N 8.83 0.78 -4.17 4.98 4.81 -1.12 -3.47 114.58 125.22 1cbs h GLU 88 Ca -0.24 -0.62 -0.29 0.00 -0.13 0.00 0.00 59.36 58.09 1cbs h GLU 88 Cb 1.08 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 1cbs h GLU 88 CO 1.02 1.23 -0.20 -1.54 -0.73 0.00 0.00 179.01 178.78 1cbs s SER 89 N -7.04 0.99 0.35 1.04 1.04 -1.07 -5.01 113.70 104.00 1cbs s SER 89 Ca -0.11 -1.51 0.08 0.00 0.48 0.00 0.00 55.95 54.89 1cbs s SER 89 Cb 0.08 0.66 0.80 0.00 0.10 0.00 0.00 66.02 67.67 1cbs s SER 89 CO 0.90 -1.30 1.86 -0.08 0.98 0.00 0.00 173.24 175.60 1cbs h GLU 90 N 2.10 0.69 -0.24 4.02 4.81 -2.02 -2.81 114.58 121.13 1cbs h GLU 90 Ca -0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1cbs h GLU 90 Cb 1.24 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1cbs h GLU 90 CO 0.38 0.46 0.00 0.09 -0.73 0.00 0.00 179.01 179.21 1cbs n ASN 91 N -4.57 3.24 -3.75 1.04 3.02 -1.26 -4.51 115.26 108.47 1cbs n ASN 91 Ca 0.18 -2.59 -0.20 0.00 -0.03 0.00 0.00 54.58 51.93 1cbs n ASN 91 Cb 0.47 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 39.09 1cbs n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1cbs s LYS 92 N -2.05 0.29 -0.04 3.52 2.20 -1.06 -1.68 119.74 120.92 1cbs s LYS 92 Ca 0.31 0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1cbs s LYS 92 Cb 0.23 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.82 1cbs s LYS 92 CO 0.10 -0.27 0.03 0.00 -0.36 0.00 0.00 175.35 174.85 1cbs s MET 93 N 1.82 2.97 -0.02 4.03 0.23 -0.43 -0.48 119.30 127.42 1cbs s MET 93 Ca 0.02 -0.48 0.05 0.00 -1.03 0.00 0.00 55.69 54.25 1cbs s MET 93 Cb -0.12 -2.79 -0.01 0.00 -1.53 0.00 0.00 34.83 30.37 1cbs s MET 93 CO -0.04 0.67 -0.18 0.08 -2.03 0.00 0.00 175.02 173.52 1cbs s VAL 94 N -1.04 1.47 -0.13 5.16 1.01 -0.19 -1.61 120.40 125.06 1cbs s VAL 94 Ca 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1cbs s VAL 94 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1cbs s VAL 94 CO 0.08 0.42 -0.19 0.00 0.00 0.00 0.00 175.10 175.41 1cbs s GLU 96 N 0.94 4.04 0.03 0.00 2.12 -0.84 -2.31 118.70 122.68 1cbs s GLU 96 Ca -0.05 -0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.15 1cbs s GLU 96 Cb -0.15 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1cbs s GLU 96 CO -0.03 0.40 -0.14 -0.65 -0.54 0.00 0.00 175.26 174.30 1cbs s GLN 97 N 0.07 2.23 -0.08 4.30 -0.21 -1.15 -2.28 119.66 122.54 1cbs s GLN 97 Ca 0.10 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.57 1cbs s GLN 97 Cb -0.11 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.63 1cbs s GLN 97 CO -0.00 0.56 -0.01 0.21 -2.12 0.00 0.00 175.29 173.92 1cbs s LYS 98 N -1.45 0.80 0.24 2.91 2.20 -0.38 -4.54 119.74 119.53 1cbs s LYS 98 Ca 0.16 0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.47 1cbs s LYS 98 Cb -0.11 -1.14 -0.12 0.00 -1.51 0.00 0.00 37.83 34.95 1cbs s LYS 98 CO 0.06 -0.31 1.67 -0.51 -0.36 0.00 0.00 175.35 175.91 1cbs s LEU 99 N 1.91 4.36 0.22 5.43 1.43 -1.26 -0.94 118.68 129.83 1cbs s LEU 99 Ca 0.05 2.91 -0.04 0.00 -1.03 0.00 0.00 54.13 56.02 1cbs s LEU 99 Cb -0.12 -3.61 0.21 0.00 0.03 0.00 0.00 46.19 42.70 1cbs s LEU 99 CO -0.06 -0.95 1.65 -0.07 0.23 0.00 0.00 176.35 177.15 1cbs h LEU 100 N 5.97 0.78 -7.63 1.79 3.38 -1.85 -3.45 115.31 114.31 1cbs h LEU 100 Ca -0.45 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.08 1cbs h LEU 100 Cb 1.21 -0.21 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 1cbs h LEU 100 CO 0.89 0.95 -0.54 -0.54 0.09 0.00 0.00 178.44 179.30 1cbs s LYS 101 N -4.68 0.25 0.76 1.13 1.02 -1.26 -5.12 119.74 111.85 1cbs s LYS 101 Ca -0.09 0.04 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1cbs s LYS 101 Cb 0.13 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1cbs s LYS 101 CO 0.83 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.63 1cbs n GLY 102 N 2.60 -1.90 3.30 -3.33 0.00 -1.26 -5.01 105.19 99.59 1cbs n GLY 102 Ca -0.15 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 1cbs n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbs s GLU 103 N 0.00 1.25 0.00 1.61 8.01 -1.26 -4.92 118.70 123.39 1cbs s GLU 103 Ca 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 54.97 53.37 1cbs s GLU 103 Cb 0.00 -0.54 0.00 0.00 -4.31 0.00 0.00 34.13 29.28 1cbs s GLU 103 CO 0.00 -0.08 0.00 0.41 0.01 0.00 0.00 175.26 175.60 1cbs n GLY 104 N -0.35 -1.91 3.71 -1.39 0.00 -1.26 -5.14 105.19 98.84 1cbs n GLY 104 Ca -0.06 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1cbs n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cbs n PRO 105 N -0.41 0.90 -2.54 1.61 -0.02 -1.26 -4.94 135.00 128.34 1cbs n PRO 105 Ca 0.00 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 1cbs n PRO 105 Cb 0.00 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 30.99 1cbs n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1cbs s LYS 106 N -3.44 4.39 0.21 -0.52 2.47 -1.26 -4.80 119.74 116.79 1cbs s LYS 106 Ca 0.80 1.58 0.11 0.00 -1.56 0.00 0.00 55.97 56.91 1cbs s LYS 106 Cb -0.37 -3.53 -0.05 0.00 -1.46 0.00 0.00 37.83 32.43 1cbs s LYS 106 CO 0.43 -0.37 -0.20 0.95 0.16 0.00 0.00 175.35 176.32 1cbs s THR 107 N 2.00 2.56 0.26 3.43 -4.23 -1.26 -0.90 115.64 117.51 1cbs s THR 107 Ca 0.54 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.78 1cbs s THR 107 Cb -0.23 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.37 1cbs s THR 107 CO 0.22 -0.19 0.77 -0.94 -0.54 0.00 0.00 174.62 173.94 1cbs s SER 108 N -2.92 -0.23 0.03 3.99 1.04 -0.99 -2.95 113.70 111.68 1cbs s SER 108 Ca 0.24 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 1cbs s SER 108 Cb -0.07 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1cbs s SER 108 CO 0.12 -1.29 0.28 -1.66 0.98 0.00 0.00 173.24 171.67 1cbs s TRP 109 N -3.72 -0.07 0.04 5.02 1.48 -0.98 -1.05 118.94 119.66 1cbs s TRP 109 Ca 0.12 -0.05 0.02 0.00 -1.06 0.00 0.00 56.10 55.12 1cbs s TRP 109 Cb -0.05 0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.30 1cbs s TRP 109 CO 0.06 -0.47 -0.07 0.95 -4.06 0.00 0.00 176.95 173.37 1cbs s THR 110 N -2.38 0.44 -0.04 0.66 -4.23 -0.54 -0.49 115.64 109.06 1cbs s THR 110 Ca -0.06 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1cbs s THR 110 Cb -0.02 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.30 1cbs s THR 110 CO -0.02 -0.42 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.47 1cbs s ARG 111 N -1.59 0.76 -0.02 3.99 0.52 -0.63 -1.38 118.95 120.60 1cbs s ARG 111 Ca -0.11 -0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1cbs s ARG 111 Cb -0.10 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1cbs s ARG 111 CO -0.00 -0.07 0.08 -1.83 0.02 0.00 0.00 175.30 173.49 1cbs s GLU 112 N 0.86 0.22 -0.24 3.54 -1.05 -0.32 -1.31 118.70 120.41 1cbs s GLU 112 Ca -0.11 -0.12 -0.15 0.00 -0.15 0.00 0.00 54.97 54.44 1cbs s GLU 112 Cb -0.14 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1cbs s GLU 112 CO 0.00 -0.04 0.35 -0.51 0.95 0.00 0.00 175.26 176.01 1cbs s LEU 113 N -0.53 4.10 0.59 1.83 1.43 -0.68 -0.83 118.68 124.58 1cbs s LEU 113 Ca -0.06 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1cbs s LEU 113 Cb -0.04 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1cbs s LEU 113 CO 0.00 -0.10 0.86 0.42 0.23 0.00 0.00 176.35 177.76 1cbs s THR 114 N 1.61 2.94 0.52 5.49 -4.23 -0.30 -4.90 115.64 116.78 1cbs s THR 114 Ca 0.15 -0.39 0.32 0.00 -1.18 0.00 0.00 61.69 60.59 1cbs s THR 114 Cb -0.15 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.88 1cbs s THR 114 CO 0.08 -0.14 2.21 0.78 -0.54 0.00 0.00 174.62 177.01 1cbs h ASN 115 N -0.13 0.00 -0.14 3.99 -0.26 -1.98 -2.23 115.58 114.83 1cbs h ASN 115 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1cbs h ASN 115 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 1cbs h ASN 115 CO 0.57 0.04 0.00 -0.90 -1.06 0.00 0.00 177.43 176.08 1cbs n ASP 116 N -3.59 1.45 0.00 5.81 5.68 -1.26 -4.93 116.55 119.71 1cbs n ASP 116 Ca -0.02 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1cbs n ASP 116 Cb 0.14 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1cbs n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cbs n GLY 117 N 1.08 0.76 3.99 6.12 0.00 -0.84 -5.08 105.19 111.23 1cbs n GLY 117 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1cbs n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbs s GLU 118 N -0.57 2.51 -0.12 1.61 2.02 -1.26 -4.74 118.70 118.16 1cbs s GLU 118 Ca 0.00 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1cbs s GLU 118 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1cbs s GLU 118 CO 0.00 -0.68 -0.20 -1.17 0.02 0.00 0.00 175.26 173.23 1cbs s LEU 119 N -4.68 1.98 -0.20 1.80 2.96 -0.48 -1.15 118.68 118.91 1cbs s LEU 119 Ca 0.58 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1cbs s LEU 119 Cb -0.09 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1cbs s LEU 119 CO 0.38 0.08 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.84 1cbs s ILE 120 N 0.71 3.72 -0.16 6.68 1.01 -0.01 -0.71 121.20 132.45 1cbs s ILE 120 Ca -0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1cbs s ILE 120 Cb -0.16 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1cbs s ILE 120 CO 0.02 0.43 -0.03 -0.22 0.00 0.00 0.00 174.94 175.14 1cbs s LEU 121 N 1.08 3.26 0.01 2.97 2.96 0.28 -1.17 118.68 128.06 1cbs s LEU 121 Ca 0.02 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1cbs s LEU 121 Cb -0.14 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1cbs s LEU 121 CO 0.01 0.17 -0.24 0.42 -1.32 0.00 0.00 176.35 175.38 1cbs s THR 122 N 0.37 1.92 -0.04 3.68 -4.23 -0.48 -1.09 115.64 115.78 1cbs s THR 122 Ca -0.04 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.38 1cbs s THR 122 Cb -0.14 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.08 1cbs s THR 122 CO 0.03 0.45 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.33 1cbs s MET 123 N -0.81 1.90 0.03 3.99 -1.94 -0.25 -1.47 119.30 120.75 1cbs s MET 123 Ca 0.10 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1cbs s MET 123 Cb -0.09 -1.65 -0.02 0.00 2.01 0.00 0.00 34.83 35.07 1cbs s MET 123 CO 0.00 0.27 -0.20 0.99 -0.01 0.00 0.00 175.02 176.07 1cbs s THR 124 N -0.02 1.62 -0.20 2.05 2.01 -0.21 -0.51 115.64 120.38 1cbs s THR 124 Ca -0.03 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 1cbs s THR 124 Cb -0.12 -1.39 0.07 0.00 0.01 0.00 0.00 72.50 71.07 1cbs s THR 124 CO 0.02 0.26 0.10 0.00 -0.69 0.00 0.00 174.62 174.31 1cbs s ALA 125 N -0.72 0.46 0.00 7.40 0.00 -0.63 -2.35 121.76 125.92 1cbs s ALA 125 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1cbs s ALA 125 Cb -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1cbs s ALA 125 CO 0.01 -1.28 0.00 -0.25 0.00 0.00 0.00 175.76 174.24 1cbs n ASP 126 N 5.27 0.00 -1.04 0.00 8.00 -0.08 -1.32 116.55 127.38 1cbs n ASP 126 Ca -0.07 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.55 1cbs n ASP 126 Cb 0.47 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.72 1cbs n ASP 126 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cbs n ASP 127 N 8.61 3.20 -4.72 -2.24 9.92 -1.26 -4.92 116.55 125.14 1cbs n ASP 127 Ca 0.00 -1.99 -0.37 0.00 -0.53 0.00 0.00 54.79 51.90 1cbs n ASP 127 Cb 0.00 -0.11 -0.07 0.00 -0.64 0.00 0.00 41.12 40.30 1cbs n ASP 127 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1cbs s VAL 128 N -1.75 5.23 -0.12 2.53 1.01 -0.44 -5.07 120.40 121.79 1cbs s VAL 128 Ca 0.33 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1cbs s VAL 128 Cb 0.21 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1cbs s VAL 128 CO 0.31 0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 174.85 1cbs s VAL 129 N 0.67 2.33 -0.18 2.92 1.01 -1.26 -1.61 120.40 124.27 1cbs s VAL 129 Ca 0.22 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1cbs s VAL 129 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1cbs s VAL 129 CO 0.08 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.79 1cbs s THR 131 N 0.37 2.62 -0.03 0.00 2.01 -0.76 -1.09 115.64 118.75 1cbs s THR 131 Ca 0.04 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1cbs s THR 131 Cb -0.12 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1cbs s THR 131 CO -0.00 0.51 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.16 1cbs s ARG 132 N 0.97 1.44 -0.04 4.92 1.81 -0.25 -0.42 118.95 127.38 1cbs s ARG 132 Ca -0.02 -0.52 0.07 0.00 -1.72 0.00 0.00 55.73 53.54 1cbs s ARG 132 Cb -0.15 -1.30 -0.01 0.00 -0.45 0.00 0.00 34.95 33.04 1cbs s ARG 132 CO -0.03 0.23 -0.25 0.08 -0.68 0.00 0.00 175.30 174.66 1cbs s VAL 133 N -0.02 2.01 0.18 3.52 1.01 -0.11 -0.56 120.40 126.44 1cbs s VAL 133 Ca -0.01 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1cbs s VAL 133 Cb -0.09 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 1cbs s VAL 133 CO 0.01 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.29 1cbs s TYR 134 N -0.36 1.41 0.04 5.22 1.51 0.12 -0.47 117.35 124.81 1cbs s TYR 134 Ca 0.03 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.30 1cbs s TYR 134 Cb -0.12 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1cbs s TYR 134 CO 0.01 0.06 -0.06 0.54 -1.11 0.00 0.00 175.55 175.00 1cbs s VAL 135 N -3.33 0.37 0.48 0.71 0.11 -0.49 -1.38 120.40 116.87 1cbs s VAL 135 Ca 0.21 -1.14 -0.23 0.00 -2.93 0.00 0.00 61.98 57.90 1cbs s VAL 135 Cb 0.03 -0.63 -0.07 0.00 -1.53 0.00 0.00 36.38 34.18 1cbs s VAL 135 CO 0.04 -0.51 1.22 -0.13 -3.33 0.00 0.00 175.10 172.39 1cbs s ARG 136 N -1.90 3.61 0.00 1.54 0.52 -1.26 -0.72 118.95 120.74 1cbs s ARG 136 Ca -0.09 1.92 0.02 0.00 -0.52 0.00 0.00 55.73 57.06 1cbs s ARG 136 Cb -0.07 -2.39 0.14 0.00 0.52 0.00 0.00 34.95 33.15 1cbs s ARG 136 CO -0.01 -0.71 0.63 0.39 0.02 0.00 0.00 175.30 175.61