#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fep n ASN 2 N 0.00 0.90 0.02 3.54 2.04 -1.26 -4.72 115.26 115.78 3fep n ASN 2 Ca 0.00 -0.45 0.11 0.00 -0.44 0.00 0.00 54.58 53.80 3fep n ASN 2 Cb 0.00 -1.20 0.48 0.00 -2.53 0.00 0.00 39.78 36.54 3fep n ASN 2 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 3fep n PHE 3 N 12.81 0.13 -0.99 -2.53 3.01 -1.26 -4.90 117.46 123.73 3fep n PHE 3 Ca 0.54 0.04 -0.35 0.00 1.01 0.00 0.00 57.45 58.69 3fep n PHE 3 Cb 0.28 -0.57 0.09 0.00 -0.01 0.00 0.00 39.48 39.27 3fep n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fep n SER 4 N -1.61 -2.49 0.00 4.37 7.64 -1.26 -4.59 113.62 115.68 3fep n SER 4 Ca 0.05 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.33 3fep n SER 4 Cb 0.28 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 3fep n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fep n GLY 5 N 1.90 0.82 3.48 0.23 0.00 0.09 -4.89 105.19 106.83 3fep n GLY 5 Ca 0.06 -2.31 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 3fep n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fep s ASN 6 N -0.41 4.72 -0.06 1.61 0.01 -1.26 -1.36 114.94 118.20 3fep s ASN 6 Ca 0.00 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 3fep s ASN 6 Cb 0.00 -1.77 -0.02 0.00 0.41 0.00 0.00 41.25 39.87 3fep s ASN 6 CO 0.00 0.16 -0.18 0.26 -1.51 0.00 0.00 177.10 175.83 3fep s TRP 7 N 0.42 2.60 -0.20 2.20 0.52 0.32 -1.49 118.94 123.31 3fep s TRP 7 Ca -0.04 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.69 3fep s TRP 7 Cb -0.14 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3fep s TRP 7 CO 0.03 0.01 -0.15 0.21 0.02 0.00 0.00 176.95 177.06 3fep s LYS 8 N -0.43 2.96 0.06 4.98 2.20 1.04 -2.76 119.74 127.79 3fep s LYS 8 Ca 0.05 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 3fep s LYS 8 Cb -0.12 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.43 3fep s LYS 8 CO 0.02 -0.26 1.19 -1.50 -0.36 0.00 0.00 175.35 174.43 3fep s ILE 9 N 1.30 4.05 -0.01 5.43 2.07 -1.26 0.95 121.20 133.73 3fep s ILE 9 Ca 0.03 1.48 0.01 0.00 -1.41 0.00 0.00 60.65 60.77 3fep s ILE 9 Cb -0.14 -3.95 0.02 0.00 0.13 0.00 0.00 42.46 38.52 3fep s ILE 9 CO -0.10 0.12 0.80 2.30 -1.91 0.00 0.00 174.94 176.15 3fep n ILE 10 N 3.87 0.58 -3.62 2.00 -5.35 0.44 -4.93 119.36 112.35 3fep n ILE 10 Ca 0.09 -0.60 -0.05 0.00 -0.27 0.00 0.00 62.75 61.92 3fep n ILE 10 Cb 0.46 0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3fep n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3fep s ARG 11 N -0.64 0.22 -0.30 6.28 3.52 -1.16 -4.95 118.95 121.91 3fep s ARG 11 Ca 0.02 0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 55.59 3fep s ARG 11 Cb 0.02 0.11 0.17 0.00 -1.56 0.00 0.00 34.95 33.68 3fep s ARG 11 CO 0.00 -0.07 0.83 0.45 -0.81 0.00 0.00 175.30 175.70 3fep s SER 12 N -0.98 -0.90 0.06 -2.12 0.15 -1.26 -0.72 113.70 107.93 3fep s SER 12 Ca 0.06 0.81 0.09 0.00 0.70 0.00 0.00 55.95 57.60 3fep s SER 12 Cb -0.01 1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 66.12 3fep s SER 12 CO -0.05 -0.17 -0.23 -1.83 1.20 0.00 0.00 173.24 172.15 3fep s GLU 13 N 2.79 1.83 -0.91 5.44 -1.05 0.22 -4.76 118.70 122.26 3fep s GLU 13 Ca 0.05 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 3fep s GLU 13 Cb -0.11 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 3fep s GLU 13 CO -0.17 0.51 0.00 0.09 0.95 0.00 0.00 175.26 176.64 3fep n ASN 14 N 1.55 -4.44 -0.08 0.83 3.02 -1.26 -2.55 115.26 112.33 3fep n ASN 14 Ca -0.17 0.21 -0.14 0.00 -0.03 0.00 0.00 54.58 54.46 3fep n ASN 14 Cb 0.52 -2.69 -0.05 0.00 -0.61 0.00 0.00 39.78 36.95 3fep n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fep h PHE 15 N 0.00 0.80 -0.28 3.10 3.57 -1.91 -2.49 116.94 119.73 3fep h PHE 15 Ca -0.18 -0.25 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 3fep h PHE 15 Cb 0.69 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3fep h PHE 15 CO 0.33 0.99 -0.19 1.49 -2.23 0.00 0.00 178.31 178.70 3fep h GLU 16 N 0.37 0.52 -0.33 1.11 4.81 -1.94 -2.15 114.58 116.98 3fep h GLU 16 Ca 0.03 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 3fep h GLU 16 Cb 0.88 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3fep h GLU 16 CO 0.07 0.68 -0.33 0.93 -0.73 0.00 0.00 179.01 179.64 3fep h GLU 17 N 0.47 0.71 0.28 1.92 3.07 -1.96 0.34 114.58 119.42 3fep h GLU 17 Ca 0.08 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3fep h GLU 17 Cb 0.60 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3fep h GLU 17 CO 0.04 0.94 -0.26 1.25 -1.40 0.00 0.00 179.01 179.58 3fep h LEU 18 N 0.60 -0.70 -0.68 1.33 5.85 -1.14 0.31 115.31 120.89 3fep h LEU 18 Ca 0.07 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3fep h LEU 18 Cb 0.85 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3fep h LEU 18 CO 0.07 -0.39 0.38 -0.07 -0.34 0.00 0.00 178.44 178.10 3fep h LEU 19 N -0.57 0.58 -0.49 2.25 3.38 -1.19 -0.31 115.31 118.95 3fep h LEU 19 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3fep h LEU 19 Cb 0.52 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3fep h LEU 19 CO -0.04 0.38 0.20 0.50 0.09 0.00 0.00 178.44 179.57 3fep h LYS 20 N 0.71 0.39 -0.70 1.13 3.64 0.07 -0.78 116.57 121.03 3fep h LYS 20 Ca 0.30 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3fep h LYS 20 Cb 0.17 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3fep h LYS 20 CO -0.17 0.26 0.29 0.28 -2.27 0.00 0.00 179.45 177.84 3fep h VAL 21 N 0.40 1.24 0.00 2.00 2.07 0.49 -2.78 116.25 119.67 3fep h VAL 21 Ca 0.23 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3fep h VAL 21 Cb 0.21 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3fep h VAL 21 CO -0.21 0.30 -0.24 -0.07 0.02 0.00 0.00 177.57 177.36 3fep h LEU 22 N 1.01 0.00 0.00 2.57 3.38 -0.21 -3.47 115.31 118.60 3fep h LEU 22 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fep h LEU 22 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fep h LEU 22 CO -0.02 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3fep n GLY 23 N 0.44 1.28 3.70 0.83 0.00 -0.39 -4.94 105.19 106.11 3fep n GLY 23 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fep n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fep s VAL 24 N -2.00 2.67 0.09 1.61 1.01 -0.67 -4.87 120.40 118.24 3fep s VAL 24 Ca 0.00 0.33 -0.36 0.00 0.00 0.00 0.00 61.98 61.95 3fep s VAL 24 Cb 0.00 -3.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.99 3fep s VAL 24 CO 0.00 0.01 1.06 -3.20 0.00 0.00 0.00 175.10 172.97 3fep n ASN 25 N 4.88 0.43 -0.35 3.32 2.85 -1.26 -4.61 115.26 120.52 3fep n ASN 25 Ca 0.16 1.14 0.08 0.00 -0.11 0.00 0.00 54.58 55.85 3fep n ASN 25 Cb 0.39 -1.04 0.26 0.00 1.24 0.00 0.00 39.78 40.62 3fep n ASN 25 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3fep h VAL 26 N 2.69 0.92 -0.36 3.44 3.04 -1.99 0.12 116.25 124.11 3fep h VAL 26 Ca -0.45 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 64.85 3fep h VAL 26 Cb 1.39 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 3fep h VAL 26 CO 0.67 0.18 -0.01 0.24 -1.01 0.00 0.00 177.57 177.64 3fep h MET 27 N 0.96 0.57 0.00 4.17 2.86 -2.00 -1.20 114.93 120.29 3fep h MET 27 Ca 0.49 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.82 3fep h MET 27 Cb 0.50 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3fep h MET 27 CO -0.25 0.60 -0.83 1.25 1.06 0.00 0.00 176.91 178.74 3fep h LEU 28 N 0.54 0.02 -0.60 1.22 5.85 -1.23 -2.91 115.31 118.20 3fep h LEU 28 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fep h LEU 28 Cb 0.36 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3fep h LEU 28 CO 0.01 0.84 0.34 0.03 -0.34 0.00 0.00 178.44 179.33 3fep h ARG 29 N 0.01 0.83 -0.41 1.25 3.08 0.08 -0.31 114.38 118.91 3fep h ARG 29 Ca -0.01 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 3fep h ARG 29 Cb 1.47 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3fep h ARG 29 CO 0.11 0.62 -0.35 0.87 -1.07 0.00 0.00 179.97 180.15 3fep h LYS 30 N 0.81 0.96 0.00 0.04 1.79 -1.24 -2.61 116.57 116.31 3fep h LYS 30 Ca 0.21 -0.49 -0.10 0.00 -2.18 0.00 0.00 60.65 58.10 3fep h LYS 30 Cb 0.02 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 3fep h LYS 30 CO -0.04 1.15 -0.45 0.97 -1.08 0.00 0.00 179.45 180.00 3fep h ILE 31 N 0.79 1.13 0.00 1.86 6.09 -1.46 -3.17 117.51 122.75 3fep h ILE 31 Ca 0.07 -1.67 -0.08 0.00 -1.37 0.00 0.00 64.86 61.81 3fep h ILE 31 Cb 0.95 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 40.18 3fep h ILE 31 CO 0.09 0.45 -0.37 0.00 -3.07 0.00 0.00 178.15 175.24 3fep h ALA 32 N 1.55 1.31 -0.63 0.18 0.00 -0.67 -3.01 119.26 117.98 3fep h ALA 32 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fep h ALA 32 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3fep h ALA 32 CO 0.06 0.47 0.00 1.33 0.00 0.00 0.00 179.25 181.10 3fep n VAL 33 N -3.99 1.92 -2.79 0.00 0.24 -1.10 -4.77 118.33 107.85 3fep n VAL 33 Ca -0.02 -1.24 -0.38 0.00 -2.04 0.00 0.00 64.34 60.67 3fep n VAL 33 Cb 0.42 0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3fep n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fep s ALA 34 N -1.94 3.25 0.36 2.33 0.00 -1.14 -4.91 121.76 119.72 3fep s ALA 34 Ca 0.51 0.53 0.22 0.00 0.00 0.00 0.00 51.96 53.21 3fep s ALA 34 Cb 0.34 -3.17 1.17 0.00 0.00 0.00 0.00 23.12 21.46 3fep s ALA 34 CO 0.24 0.19 1.62 0.00 0.00 0.00 0.00 175.76 177.80 3fep h ALA 35 N 3.42 1.29 0.00 0.00 0.00 -1.93 0.53 119.26 122.57 3fep h ALA 35 Ca -0.46 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3fep h ALA 35 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3fep h ALA 35 CO 0.66 -0.29 -0.74 0.00 0.00 0.00 0.00 179.25 178.88 3fep h ALA 36 N 1.25 0.56 -0.24 0.00 0.00 -1.92 -3.32 119.26 115.58 3fep h ALA 36 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3fep h ALA 36 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fep h ALA 36 CO 0.00 0.88 0.00 0.43 0.00 0.00 0.00 179.25 180.56 3fep n SER 37 N -3.25 2.26 -4.62 0.00 7.64 0.18 -4.55 113.62 111.27 3fep n SER 37 Ca 0.01 -1.82 -0.54 0.00 1.01 0.00 0.00 58.87 57.53 3fep n SER 37 Cb 0.82 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 3fep n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fep n LYS 38 N 0.72 1.15 -2.95 1.43 4.76 -1.22 -4.79 118.16 117.26 3fep n LYS 38 Ca 0.17 0.42 -0.34 0.00 -2.87 0.00 0.00 58.31 55.69 3fep n LYS 38 Cb 0.42 -2.07 -0.07 0.00 -1.84 0.00 0.00 35.03 31.47 3fep n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3fep s PRO 39 N 1.34 4.21 -0.13 1.97 0.04 -1.26 -4.72 135.00 136.45 3fep s PRO 39 Ca 0.88 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 3fep s PRO 39 Cb -0.99 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3fep s PRO 39 CO 0.52 0.12 -0.04 0.00 0.04 0.00 0.00 177.00 177.65 3fep s ALA 40 N -1.96 3.03 -0.18 8.56 0.00 0.08 -4.39 121.76 126.90 3fep s ALA 40 Ca 0.56 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 3fep s ALA 40 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3fep s ALA 40 CO 0.17 0.32 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 3fep s VAL 41 N 0.03 2.63 -0.19 0.00 1.01 -1.11 -0.62 120.40 122.14 3fep s VAL 41 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3fep s VAL 41 Cb -0.13 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3fep s VAL 41 CO 0.03 0.50 -0.07 -0.70 0.00 0.00 0.00 175.10 174.86 3fep s GLU 42 N 1.11 3.40 -0.08 2.72 2.12 -0.11 0.12 118.70 127.98 3fep s GLU 42 Ca 0.00 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.72 3fep s GLU 42 Cb -0.14 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 3fep s GLU 42 CO -0.05 -0.06 -0.12 0.42 -0.54 0.00 0.00 175.26 174.92 3fep s ILE 43 N 1.09 3.23 -0.20 -3.70 1.01 -0.46 0.43 121.20 122.60 3fep s ILE 43 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3fep s ILE 43 Cb -0.15 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.07 3fep s ILE 43 CO -0.01 0.57 -0.07 -0.75 0.00 0.00 0.00 174.94 174.68 3fep s LYS 44 N -0.45 1.72 -0.15 2.79 2.47 0.26 -0.73 119.74 125.65 3fep s LYS 44 Ca 0.06 -0.81 -0.00 0.00 -1.56 0.00 0.00 55.97 53.65 3fep s LYS 44 Cb -0.12 -2.38 -0.01 0.00 -1.46 0.00 0.00 37.83 33.86 3fep s LYS 44 CO 0.02 -0.50 -0.13 -1.14 0.16 0.00 0.00 175.35 173.76 3fep s GLN 45 N 1.46 3.32 -0.25 4.03 0.74 -1.26 -1.46 119.66 126.24 3fep s GLN 45 Ca -0.02 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 54.66 3fep s GLN 45 Cb -0.17 -2.67 0.11 0.00 1.10 0.00 0.00 33.01 31.38 3fep s GLN 45 CO -0.07 0.10 0.22 -2.00 -0.55 0.00 0.00 175.29 172.99 3fep s GLU 46 N 0.63 0.23 6.74 1.67 2.56 -0.82 -4.85 118.70 124.87 3fep s GLU 46 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.81 3fep s GLU 46 Cb -0.16 -1.03 0.00 0.00 2.00 0.00 0.00 34.13 34.94 3fep s GLU 46 CO 0.03 -0.87 0.00 0.41 -0.56 0.00 0.00 175.26 174.27 3fep n GLY 47 N 5.30 1.37 0.83 -1.50 0.00 -1.26 -2.14 105.19 107.80 3fep n GLY 47 Ca -0.04 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3fep n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fep n ASP 48 N 6.96 2.50 -4.66 1.61 5.75 -1.26 -4.89 116.55 122.55 3fep n ASP 48 Ca 0.00 -1.85 -0.37 0.00 -0.01 0.00 0.00 54.79 52.55 3fep n ASP 48 Cb 0.00 -0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 3fep n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3fep s THR 49 N -1.65 5.27 0.04 2.12 2.01 -0.91 0.51 115.64 123.04 3fep s THR 49 Ca 0.35 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.88 3fep s THR 49 Cb 0.20 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3fep s THR 49 CO 0.28 0.29 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 3fep s PHE 50 N 1.22 1.98 -0.11 4.92 0.40 0.22 -1.94 117.98 124.67 3fep s PHE 50 Ca 0.13 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 3fep s PHE 50 Cb -0.14 -1.19 0.02 0.00 0.51 0.00 0.00 43.02 42.23 3fep s PHE 50 CO 0.06 0.10 -0.08 -0.47 0.70 0.00 0.00 175.22 175.53 3fep s TYR 51 N -0.79 1.50 -0.07 0.36 5.04 -0.53 -1.62 117.35 121.23 3fep s TYR 51 Ca 0.09 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 54.00 3fep s TYR 51 Cb -0.09 -1.23 0.02 0.00 0.35 0.00 0.00 41.96 41.01 3fep s TYR 51 CO 0.02 -0.50 -0.11 0.42 -1.34 0.00 0.00 175.55 174.04 3fep s ILE 52 N 1.61 1.12 -0.08 3.14 1.01 -0.80 0.90 121.20 128.09 3fep s ILE 52 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3fep s ILE 52 Cb -0.13 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3fep s ILE 52 CO -0.07 0.36 -0.19 -0.75 0.00 0.00 0.00 174.94 174.28 3fep s LYS 53 N 0.85 2.82 -0.18 2.79 2.20 0.17 -1.58 119.74 126.81 3fep s LYS 53 Ca -0.11 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.71 3fep s LYS 53 Cb -0.15 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.84 3fep s LYS 53 CO 0.01 0.37 -0.16 0.99 -0.36 0.00 0.00 175.35 176.21 3fep s THR 54 N -0.11 1.82 -0.12 3.43 2.01 -0.07 -0.94 115.64 121.66 3fep s THR 54 Ca -0.04 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3fep s THR 54 Cb -0.14 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.66 3fep s THR 54 CO 0.04 0.41 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.79 3fep s SER 55 N 1.37 2.51 0.00 3.53 0.01 0.20 -0.62 113.70 120.70 3fep s SER 55 Ca 0.03 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3fep s SER 55 Cb -0.14 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.98 3fep s SER 55 CO -0.11 -0.02 0.00 0.35 0.41 0.00 0.00 173.24 173.88 3fep n THR 56 N 4.43 0.00 -0.09 1.44 -2.24 -0.38 -0.74 114.28 116.71 3fep n THR 56 Ca -0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3fep n THR 56 Cb 0.51 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 3fep n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fep h THR 57 N 0.00 1.23 0.00 4.28 1.35 -1.87 -3.36 112.91 114.54 3fep h THR 57 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3fep h THR 57 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3fep h THR 57 CO 0.00 0.25 -0.09 1.33 -0.25 0.00 0.00 175.52 176.76 3fep n VAL 58 N -4.67 0.37 -4.07 6.82 0.24 -1.26 -5.07 118.33 110.68 3fep n VAL 58 Ca -0.03 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 3fep n VAL 58 Cb 0.21 0.70 -0.12 0.00 -1.47 0.00 0.00 33.84 33.16 3fep n VAL 58 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3fep s TRP 59 N -0.45 0.62 0.01 6.34 -0.11 -1.26 -5.16 118.94 118.93 3fep s TRP 59 Ca 0.02 -0.43 -0.01 0.00 1.22 0.00 0.00 56.10 56.91 3fep s TRP 59 Cb 0.02 -0.38 -0.01 0.00 -1.50 0.00 0.00 33.47 31.61 3fep s TRP 59 CO 0.00 -0.07 0.00 0.95 -4.62 0.00 0.00 176.95 173.21 3fep s THR 60 N -1.16 0.06 -0.09 5.86 -4.23 -1.26 -1.24 115.64 113.57 3fep s THR 60 Ca -0.08 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 3fep s THR 60 Cb -0.09 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.57 3fep s THR 60 CO 0.00 -0.29 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.68 3fep s THR 61 N -0.86 1.90 -0.10 3.99 2.01 0.21 -4.97 115.64 117.80 3fep s THR 61 Ca -0.09 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3fep s THR 61 Cb -0.06 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 3fep s THR 61 CO -0.00 0.52 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.63 3fep s GLU 62 N 0.40 3.10 0.02 4.92 2.02 -1.26 -0.89 118.70 127.01 3fep s GLU 62 Ca -0.18 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.03 3fep s GLU 62 Cb -0.18 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 3fep s GLU 62 CO 0.08 0.20 -0.18 0.96 0.02 0.00 0.00 175.26 176.34 3fep s ILE 63 N 0.31 1.46 -0.10 -1.63 -4.36 -0.62 -5.01 121.20 111.25 3fep s ILE 63 Ca -0.16 -1.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3fep s ILE 63 Cb -0.17 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.30 3fep s ILE 63 CO 0.08 0.24 -0.08 0.20 0.24 0.00 0.00 174.94 175.62 3fep s ASN 64 N -0.89 2.06 0.03 4.36 0.01 -1.26 -1.91 114.94 117.34 3fep s ASN 64 Ca 0.06 -0.28 -0.07 0.00 -0.71 0.00 0.00 52.86 51.86 3fep s ASN 64 Cb -0.08 -0.80 -0.00 0.00 0.41 0.00 0.00 41.25 40.78 3fep s ASN 64 CO 0.01 -0.10 0.14 0.72 -1.51 0.00 0.00 177.10 176.35 3fep s PHE 65 N 1.58 0.11 -0.11 2.20 -0.12 -0.64 -4.97 117.98 116.03 3fep s PHE 65 Ca 0.02 -0.34 -0.03 0.00 -0.05 0.00 0.00 56.93 56.53 3fep s PHE 65 Cb -0.13 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 3fep s PHE 65 CO -0.06 -0.37 0.01 0.15 -0.05 0.00 0.00 175.22 174.90 3fep s LYS 66 N -2.34 3.22 -0.11 1.99 1.02 -1.25 0.72 119.74 122.99 3fep s LYS 66 Ca -0.07 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3fep s LYS 66 Cb -0.02 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.32 3fep s LYS 66 CO -0.03 0.60 2.09 0.28 -0.92 0.00 0.00 175.35 177.37 3fep n VAL 67 N 2.48 0.53 0.00 3.17 0.31 0.18 -0.97 118.33 124.02 3fep n VAL 67 Ca -0.18 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3fep n VAL 67 Cb 0.53 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 3fep n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fep n GLY 68 N 5.20 2.06 3.62 2.92 0.00 0.01 -4.99 105.19 114.02 3fep n GLY 68 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3fep n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fep s GLU 69 N -0.05 4.10 0.51 1.61 2.12 -0.15 -4.90 118.70 121.94 3fep s GLU 69 Ca 0.00 0.46 -0.23 0.00 0.36 0.00 0.00 54.97 55.57 3fep s GLU 69 Cb 0.00 -3.65 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 3fep s GLU 69 CO 0.00 -0.38 1.33 -2.00 -0.54 0.00 0.00 175.26 173.66 3fep s GLU 70 N 2.41 3.37 0.12 4.30 2.12 -1.26 -4.40 118.70 125.36 3fep s GLU 70 Ca 0.24 2.17 -0.10 0.00 0.36 0.00 0.00 54.97 57.64 3fep s GLU 70 Cb -0.16 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.87 3fep s GLU 70 CO 0.09 -0.99 0.25 -0.59 -0.54 0.00 0.00 175.26 173.49 3fep s PHE 71 N -1.33 0.15 0.37 5.30 -0.71 0.11 -4.96 117.98 116.91 3fep s PHE 71 Ca 0.68 -0.55 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 3fep s PHE 71 Cb -0.39 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 3fep s PHE 71 CO 0.46 -0.62 0.64 -2.00 -1.34 0.00 0.00 175.22 172.36 3fep s GLU 72 N -3.88 3.60 -0.00 1.99 2.12 -1.26 0.74 118.70 122.00 3fep s GLU 72 Ca 0.08 0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.36 3fep s GLU 72 Cb 0.04 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.91 3fep s GLU 72 CO -0.08 0.06 0.38 -1.91 -0.54 0.00 0.00 175.26 173.17 3fep n GLU 73 N -1.52 0.07 -4.44 4.30 2.13 -0.40 -4.88 120.64 115.90 3fep n GLU 73 Ca -0.01 -0.25 -0.25 0.00 0.66 0.00 0.00 57.16 57.31 3fep n GLU 73 Cb 0.55 0.41 -0.13 0.00 0.27 0.00 0.00 31.44 32.53 3fep n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3fep s GLN 74 N -2.01 1.25 0.18 5.31 -0.21 -1.26 -1.44 119.66 121.49 3fep s GLN 74 Ca 0.09 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.35 3fep s GLN 74 Cb -0.00 -1.48 0.05 0.00 1.00 0.00 0.00 33.01 32.58 3fep s GLN 74 CO -0.00 0.36 0.14 0.25 -2.12 0.00 0.00 175.29 173.91 3fep n THR 75 N 1.38 0.00 -0.06 -0.19 -2.24 -0.36 -4.85 114.28 107.97 3fep n THR 75 Ca -0.18 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 3fep n THR 75 Cb 0.53 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 3fep n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3fep h VAL 76 N -1.89 1.28 -0.12 2.28 2.07 -1.98 -2.87 116.25 115.02 3fep h VAL 76 Ca -0.06 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3fep h VAL 76 Cb 0.18 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3fep h VAL 76 CO 0.04 0.58 0.00 -0.90 0.02 0.00 0.00 177.57 177.30 3fep n ASP 77 N -3.98 0.72 -1.57 0.57 5.75 -1.26 -4.90 116.55 111.87 3fep n ASP 77 Ca -0.05 -1.86 -0.05 0.00 -0.01 0.00 0.00 54.79 52.82 3fep n ASP 77 Cb 0.65 -0.08 0.02 0.00 -1.03 0.00 0.00 41.12 40.69 3fep n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fep n GLY 78 N 0.78 0.29 3.51 6.12 0.00 -1.08 -5.06 105.19 109.75 3fep n GLY 78 Ca 0.08 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3fep n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fep s ARG 79 N -4.52 3.40 0.29 1.61 0.52 -1.26 -4.82 118.95 114.16 3fep s ARG 79 Ca 0.03 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3fep s ARG 79 Cb -0.01 -2.80 -0.11 0.00 0.52 0.00 0.00 34.95 32.54 3fep s ARG 79 CO 0.19 0.36 1.57 -1.25 0.02 0.00 0.00 175.30 176.18 3fep s PRO 80 N 0.04 4.14 0.17 3.54 0.04 -1.26 -1.23 135.00 140.44 3fep s PRO 80 Ca -0.01 2.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.38 3fep s PRO 80 Cb -0.14 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.41 3fep s PRO 80 CO 0.03 -0.60 0.53 0.00 0.04 0.00 0.00 177.00 177.00 3fep s LYS 82 N -3.81 3.66 0.12 0.00 -0.14 0.32 -1.27 119.74 118.61 3fep s LYS 82 Ca 0.05 0.10 0.05 0.00 -1.36 0.00 0.00 55.97 54.80 3fep s LYS 82 Cb -0.01 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 3fep s LYS 82 CO -0.08 0.71 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.98 3fep s SER 83 N -1.21 1.73 -0.15 2.83 0.01 0.23 0.49 113.70 117.63 3fep s SER 83 Ca 0.21 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 3fep s SER 83 Cb -0.14 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.14 3fep s SER 83 CO 0.10 -0.23 0.31 -0.22 0.41 0.00 0.00 173.24 173.62 3fep s LEU 84 N -2.60 -0.40 -0.14 2.44 2.96 -0.83 -0.71 118.68 119.40 3fep s LEU 84 Ca 0.09 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 3fep s LEU 84 Cb -0.03 0.92 -0.03 0.00 0.50 0.00 0.00 46.19 47.55 3fep s LEU 84 CO 0.01 -0.24 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.12 3fep s VAL 85 N 2.45 4.24 0.17 1.68 1.01 -1.26 -2.65 120.40 126.04 3fep s VAL 85 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3fep s VAL 85 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3fep s VAL 85 CO -0.10 0.52 -0.07 -0.54 0.00 0.00 0.00 175.10 174.91 3fep s LYS 86 N 0.00 1.13 0.40 2.72 1.02 -0.56 -0.81 119.74 123.66 3fep s LYS 86 Ca 0.03 -1.52 -0.19 0.00 0.02 0.00 0.00 55.97 54.31 3fep s LYS 86 Cb -0.13 -0.58 -0.10 0.00 -0.52 0.00 0.00 37.83 36.50 3fep s LYS 86 CO 0.02 0.01 0.89 -1.58 -0.92 0.00 0.00 175.35 173.77 3fep s TRP 87 N -3.39 3.34 -0.02 3.18 0.52 -1.26 -1.10 118.94 120.20 3fep s TRP 87 Ca 0.20 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.82 3fep s TRP 87 Cb 0.04 -2.76 -0.02 0.00 -1.15 0.00 0.00 33.47 29.59 3fep s TRP 87 CO 0.03 -0.07 -0.02 -1.91 0.02 0.00 0.00 176.95 175.00 3fep n GLU 88 N -0.62 0.72 0.00 4.98 2.13 -0.31 -4.86 120.64 122.68 3fep n GLU 88 Ca 0.06 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3fep n GLU 88 Cb 0.54 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.20 3fep n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fep n SER 89 N -2.48 0.09 0.03 4.31 3.41 -1.17 -4.97 113.62 112.85 3fep n SER 89 Ca -0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 3fep n SER 89 Cb 0.55 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.57 3fep n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fep h GLU 90 N 0.00 0.46 -0.30 4.33 4.81 -2.00 -3.33 114.58 118.55 3fep h GLU 90 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3fep h GLU 90 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3fep h GLU 90 CO 0.00 0.91 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 3fep n ASN 91 N -3.93 3.10 -3.94 1.04 3.02 -1.26 -4.56 115.26 108.73 3fep n ASN 91 Ca -0.03 -2.28 -0.15 0.00 -0.03 0.00 0.00 54.58 52.09 3fep n ASN 91 Cb 0.62 -0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 3fep n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fep s LYS 92 N -1.49 0.38 0.07 3.52 2.20 -1.25 -1.29 119.74 121.87 3fep s LYS 92 Ca 0.27 -0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 3fep s LYS 92 Cb 0.17 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 3fep s LYS 92 CO 0.13 0.09 -0.09 0.00 -0.36 0.00 0.00 175.35 175.12 3fep s MET 93 N -0.06 0.68 0.03 4.03 0.23 -0.43 -1.16 119.30 122.62 3fep s MET 93 Ca 0.01 -0.95 0.04 0.00 -1.03 0.00 0.00 55.69 53.76 3fep s MET 93 Cb -0.02 -0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 32.87 3fep s MET 93 CO -0.00 0.06 -0.13 0.14 -2.03 0.00 0.00 175.02 173.06 3fep s VAL 94 N -1.94 1.01 -0.09 5.16 -7.23 -0.26 -0.85 120.40 116.20 3fep s VAL 94 Ca -0.02 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3fep s VAL 94 Cb -0.06 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.98 3fep s VAL 94 CO -0.00 -0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.67 3fep s GLU 96 N 1.09 3.27 0.01 0.00 -1.05 -1.08 -1.81 118.70 119.12 3fep s GLU 96 Ca -0.06 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 54.44 3fep s GLU 96 Cb -0.14 -3.00 -0.02 0.00 -0.44 0.00 0.00 34.13 30.53 3fep s GLU 96 CO -0.02 0.67 -0.19 -0.65 0.95 0.00 0.00 175.26 176.03 3fep s GLN 97 N -1.77 1.40 -0.19 -4.83 -0.21 -1.23 -1.97 119.66 110.85 3fep s GLN 97 Ca 0.24 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.87 3fep s GLN 97 Cb -0.12 -1.41 0.04 0.00 1.00 0.00 0.00 33.01 32.51 3fep s GLN 97 CO 0.15 0.37 -0.13 0.15 -2.12 0.00 0.00 175.29 173.72 3fep s LYS 98 N -0.76 2.32 0.10 2.91 1.02 0.18 -4.64 119.74 120.87 3fep s LYS 98 Ca 0.07 -0.86 -0.34 0.00 0.02 0.00 0.00 55.97 54.85 3fep s LYS 98 Cb -0.08 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.63 3fep s LYS 98 CO 0.00 -0.37 1.64 1.28 -0.92 0.00 0.00 175.35 176.99 3fep n LEU 99 N 4.65 3.13 0.11 3.17 4.77 -1.26 -0.52 117.00 131.04 3fep n LEU 99 Ca -0.16 1.06 -0.13 0.00 -0.03 0.00 0.00 56.01 56.75 3fep n LEU 99 Cb 0.47 -1.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.08 3fep n LEU 99 CO 0.22 -0.26 0.56 -0.07 -1.33 0.00 0.00 177.39 176.51 3fep h LEU 100 N 6.66 -0.25 -8.55 2.23 3.38 -1.70 -3.46 115.31 113.63 3fep h LEU 100 Ca -0.46 -0.24 -0.59 0.00 0.09 0.00 0.00 57.88 56.68 3fep h LEU 100 Cb 1.26 0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.81 3fep h LEU 100 CO 0.90 0.14 -0.84 -0.54 0.09 0.00 0.00 178.44 178.19 3fep s LYS 101 N -4.52 1.43 1.44 1.13 1.02 -1.26 -5.07 119.74 113.91 3fep s LYS 101 Ca -0.14 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 54.91 3fep s LYS 101 Cb 0.02 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 3fep s LYS 101 CO 0.56 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.80 3fep n GLY 102 N 1.90 -1.77 3.37 -3.33 0.00 -1.26 -4.96 105.19 99.14 3fep n GLY 102 Ca -0.17 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3fep n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fep s GLU 103 N 0.00 0.49 0.00 1.61 2.02 -1.26 -4.94 118.70 116.62 3fep s GLU 103 Ca 0.00 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.85 3fep s GLU 103 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.29 3fep s GLU 103 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3fep n GLY 104 N 4.03 3.57 3.37 -1.39 0.00 -1.26 -5.16 105.19 108.36 3fep n GLY 104 Ca -0.21 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 3fep n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fep n PRO 105 N 0.00 -0.20 -2.80 1.61 -0.02 -1.26 -4.92 135.00 127.41 3fep n PRO 105 Ca 0.00 -0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 3fep n PRO 105 Cb 0.00 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3fep n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fep s LYS 106 N -3.36 3.86 0.32 -0.52 2.20 -1.26 -4.85 119.74 116.13 3fep s LYS 106 Ca 0.56 0.61 0.08 0.00 -0.36 0.00 0.00 55.97 56.86 3fep s LYS 106 Cb -0.22 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 3fep s LYS 106 CO 0.68 -0.93 0.21 0.95 -0.36 0.00 0.00 175.35 175.90 3fep s THR 107 N 3.47 3.50 -0.05 3.43 -4.23 -1.26 -0.68 115.64 119.83 3fep s THR 107 Ca 0.38 -1.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 3fep s THR 107 Cb -0.12 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.70 3fep s THR 107 CO 0.18 -0.22 1.33 -0.94 -0.54 0.00 0.00 174.62 174.44 3fep s SER 108 N -3.91 -0.01 0.20 3.99 1.04 -0.79 -3.57 113.70 110.66 3fep s SER 108 Ca 0.38 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.57 3fep s SER 108 Cb -0.05 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.17 3fep s SER 108 CO 0.25 -0.18 0.43 -1.66 0.98 0.00 0.00 173.24 173.05 3fep s TRP 109 N -2.09 0.21 0.08 5.02 1.48 -0.75 -1.42 118.94 121.47 3fep s TRP 109 Ca 0.25 -0.57 0.01 0.00 -1.06 0.00 0.00 56.10 54.73 3fep s TRP 109 Cb 0.02 0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.47 3fep s TRP 109 CO -0.03 -0.88 -0.05 0.95 -4.06 0.00 0.00 176.95 172.88 3fep s THR 110 N -3.95 0.49 -0.02 0.66 -4.23 -0.23 -0.46 115.64 107.90 3fep s THR 110 Ca 0.16 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 3fep s THR 110 Cb 0.01 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.31 3fep s THR 110 CO 0.02 -0.89 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.40 3fep s LEU 111 N -2.89 1.76 -0.21 4.79 1.43 -0.03 -2.40 118.68 121.13 3fep s LEU 111 Ca 0.08 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3fep s LEU 111 Cb 0.05 -0.34 0.09 0.00 0.03 0.00 0.00 46.19 46.03 3fep s LEU 111 CO -0.06 0.02 0.21 -0.70 0.23 0.00 0.00 176.35 176.05 3fep s GLU 112 N 0.24 0.18 -0.33 1.70 2.12 0.46 -1.31 118.70 121.77 3fep s GLU 112 Ca -0.03 0.12 -0.25 0.00 0.36 0.00 0.00 54.97 55.17 3fep s GLU 112 Cb -0.07 -1.25 0.01 0.00 0.26 0.00 0.00 34.13 33.08 3fep s GLU 112 CO -0.00 -0.69 0.89 -1.17 -0.54 0.00 0.00 175.26 173.75 3fep s LEU 113 N 2.30 4.03 0.00 2.70 0.20 -0.41 -0.05 118.68 127.45 3fep s LEU 113 Ca 0.07 0.73 -0.10 0.00 0.69 0.00 0.00 54.13 55.52 3fep s LEU 113 Cb -0.16 -3.24 0.16 0.00 -0.43 0.00 0.00 46.19 42.52 3fep s LEU 113 CO -0.14 -0.74 0.96 0.35 -0.29 0.00 0.00 176.35 176.49 3fep n THR 114 N 5.73 0.00 -0.02 3.68 -2.24 0.15 -4.78 114.28 116.79 3fep n THR 114 Ca 0.07 -0.83 -0.07 0.00 -2.27 0.00 0.00 64.05 60.94 3fep n THR 114 Cb 0.48 -1.51 -0.13 0.00 -2.10 0.00 0.00 70.33 67.07 3fep n THR 114 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fep n ASN 115 N -3.50 0.79 -0.83 3.42 3.02 -1.26 -3.57 115.26 113.32 3fep n ASN 115 Ca 0.13 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3fep n ASN 115 Cb 0.44 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3fep n ASN 115 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fep n ASP 116 N -2.99 2.32 0.00 6.41 5.75 -1.26 -4.83 116.55 121.95 3fep n ASP 116 Ca -0.17 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 3fep n ASP 116 Cb 1.03 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3fep n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fep n GLY 117 N 0.33 0.75 3.91 6.12 0.00 -1.23 -5.00 105.19 110.07 3fep n GLY 117 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3fep n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fep s GLU 118 N -0.22 2.97 -0.21 1.61 2.02 -1.26 -4.69 118.70 118.93 3fep s GLU 118 Ca 0.00 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.10 3fep s GLU 118 Cb 0.00 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 32.04 3fep s GLU 118 CO 0.00 -0.71 -0.10 -1.17 0.02 0.00 0.00 175.26 173.30 3fep s LEU 119 N -5.03 2.39 -0.17 1.80 2.96 -0.91 -0.68 118.68 119.04 3fep s LEU 119 Ca 0.54 -0.95 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 3fep s LEU 119 Cb -0.11 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 3fep s LEU 119 CO 0.46 -0.15 0.18 -0.63 -1.32 0.00 0.00 176.35 174.89 3fep s ILE 120 N 1.37 5.39 -0.05 6.68 1.01 0.93 -0.42 121.20 136.11 3fep s ILE 120 Ca -0.02 0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3fep s ILE 120 Cb -0.17 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3fep s ILE 120 CO -0.08 0.46 -0.24 -0.70 0.00 0.00 0.00 174.94 174.38 3fep s GLU 121 N 0.14 2.37 0.14 2.79 2.12 -0.02 -0.40 118.70 125.84 3fep s GLU 121 Ca 0.11 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 54.70 3fep s GLU 121 Cb -0.12 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 3fep s GLU 121 CO 0.01 0.37 -0.26 0.95 -0.54 0.00 0.00 175.26 175.78 3fep s THR 122 N -0.15 2.22 -0.01 -1.70 -4.23 -1.01 -0.15 115.64 110.61 3fep s THR 122 Ca -0.03 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3fep s THR 122 Cb -0.13 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3fep s THR 122 CO 0.03 0.04 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.06 3fep s MET 123 N -2.16 0.51 -0.07 3.99 -1.94 0.65 -1.07 119.30 119.21 3fep s MET 123 Ca 0.14 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 3fep s MET 123 Cb -0.10 -0.51 0.01 0.00 2.01 0.00 0.00 34.83 36.25 3fep s MET 123 CO 0.06 0.07 -0.14 0.99 -0.01 0.00 0.00 175.02 176.00 3fep s THR 124 N 0.14 1.24 -0.28 2.05 2.01 -0.51 0.09 115.64 120.38 3fep s THR 124 Ca -0.01 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.47 3fep s THR 124 Cb -0.05 -1.12 0.08 0.00 0.01 0.00 0.00 72.50 71.41 3fep s THR 124 CO -0.00 0.38 -0.01 0.00 -0.69 0.00 0.00 174.62 174.29 3fep s ALA 125 N 0.63 2.23 0.00 7.40 0.00 -0.42 -1.89 121.76 129.72 3fep s ALA 125 Ca -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3fep s ALA 125 Cb -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3fep s ALA 125 CO 0.04 -1.40 0.00 -0.25 0.00 0.00 0.00 175.76 174.15 3fep n ASP 126 N 4.55 0.00 0.06 0.00 8.00 0.15 -1.59 116.55 127.71 3fep n ASP 126 Ca -0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.41 3fep n ASP 126 Cb 0.43 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.75 3fep n ASP 126 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fep h ASP 127 N 0.00 0.36 -3.62 -2.24 5.19 -1.97 -3.45 116.42 110.70 3fep h ASP 127 Ca 0.00 -0.13 -0.51 0.00 -0.62 0.00 0.00 57.03 55.77 3fep h ASP 127 Cb 0.00 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 3fep h ASP 127 CO 0.00 0.67 0.23 -0.69 -3.12 0.00 0.00 179.24 176.33 3fep s VAL 128 N -4.35 4.30 -0.07 -1.35 1.01 -0.62 -5.06 120.40 114.25 3fep s VAL 128 Ca -0.06 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3fep s VAL 128 Cb 0.14 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3fep s VAL 128 CO 0.78 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 175.57 3fep s VAL 129 N -1.24 0.80 -0.16 2.92 1.01 -1.26 -1.30 120.40 121.17 3fep s VAL 129 Ca 0.39 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3fep s VAL 129 Cb -0.23 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3fep s VAL 129 CO 0.27 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.67 3fep s THR 131 N 0.23 4.14 0.03 0.00 2.01 -1.06 -0.25 115.64 120.73 3fep s THR 131 Ca 0.00 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.71 3fep s THR 131 Cb -0.13 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 3fep s THR 131 CO 0.02 0.59 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.93 3fep s LYS 132 N -0.69 0.49 -0.10 4.92 1.02 0.79 -0.61 119.74 125.57 3fep s LYS 132 Ca 0.11 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3fep s LYS 132 Cb -0.12 -0.31 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 3fep s LYS 132 CO 0.02 0.06 -0.09 0.08 -0.92 0.00 0.00 175.35 174.51 3fep s VAL 133 N -1.07 1.05 0.26 3.17 1.01 0.10 -0.84 120.40 124.08 3fep s VAL 133 Ca -0.07 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3fep s VAL 133 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3fep s VAL 133 CO 0.00 0.36 0.06 -0.31 0.00 0.00 0.00 175.10 175.22 3fep s TYR 134 N 1.41 2.84 0.18 5.22 1.51 0.44 -0.42 117.35 128.54 3fep s TYR 134 Ca -0.01 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 3fep s TYR 134 Cb -0.13 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 3fep s TYR 134 CO -0.05 0.59 -0.02 0.14 -1.11 0.00 0.00 175.55 175.10 3fep s VAL 135 N -2.26 0.85 0.93 0.71 -7.23 0.27 -2.13 120.40 111.54 3fep s VAL 135 Ca 0.32 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 3fep s VAL 135 Cb -0.07 -2.14 0.22 0.00 0.56 0.00 0.00 36.38 34.95 3fep s VAL 135 CO 0.22 -0.48 1.10 0.54 -0.31 0.00 0.00 175.10 176.17 3fep n ARG 136 N -0.28 -1.72 0.00 4.82 1.74 -1.26 0.34 116.66 120.30 3fep n ARG 136 Ca -0.07 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 3fep n ARG 136 Cb 0.63 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 3fep n ARG 136 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26