#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fel s ASN 2 N 0.00 3.54 0.00 3.54 3.84 -1.26 -4.99 114.94 119.60 3fel s ASN 2 Ca 0.00 -0.91 0.28 0.00 0.21 0.00 0.00 52.86 52.43 3fel s ASN 2 Cb 0.00 -1.41 0.98 0.00 -0.55 0.00 0.00 41.25 40.27 3fel s ASN 2 CO 0.00 -0.10 1.70 0.49 -2.79 0.00 0.00 177.10 176.41 3fel n PHE 3 N 4.60 0.00 -1.93 0.43 3.01 -1.26 -4.95 117.46 117.36 3fel n PHE 3 Ca -0.17 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.89 3fel n PHE 3 Cb 0.47 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 3fel n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fel s SER 4 N -2.30 6.25 0.00 4.37 0.01 -1.26 -4.70 113.70 116.07 3fel s SER 4 Ca 0.31 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.40 3fel s SER 4 Cb 0.20 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3fel s SER 4 CO 0.44 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3fel n GLY 5 N 0.61 1.96 3.57 3.44 0.00 -0.29 -4.95 105.19 109.53 3fel n GLY 5 Ca 0.03 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 3fel n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fel s ASN 6 N 0.00 6.09 -0.10 1.61 0.01 -1.26 -0.99 114.94 120.30 3fel s ASN 6 Ca 0.00 -0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.03 3fel s ASN 6 Cb 0.00 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 3fel s ASN 6 CO 0.00 -0.16 -0.02 0.26 -1.51 0.00 0.00 177.10 175.67 3fel s TRP 7 N 1.84 3.08 -0.06 2.20 0.52 0.13 0.05 118.94 126.69 3fel s TRP 7 Ca 0.09 0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.31 3fel s TRP 7 Cb -0.16 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 3fel s TRP 7 CO 0.11 0.33 -0.20 0.15 0.02 0.00 0.00 176.95 177.36 3fel s LYS 8 N -0.59 2.63 0.19 4.98 1.02 -0.12 -2.37 119.74 125.48 3fel s LYS 8 Ca 0.09 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 3fel s LYS 8 Cb -0.12 -2.29 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 3fel s LYS 8 CO 0.02 0.45 1.17 -1.50 -0.92 0.00 0.00 175.35 174.57 3fel s ILE 9 N -0.30 3.62 0.00 2.17 2.07 -1.26 -1.73 121.20 125.77 3fel s ILE 9 Ca 0.01 1.40 0.00 0.00 -1.41 0.00 0.00 60.65 60.65 3fel s ILE 9 Cb -0.13 -3.89 0.00 0.00 0.13 0.00 0.00 42.46 38.57 3fel s ILE 9 CO 0.03 0.24 0.00 2.30 -1.91 0.00 0.00 174.94 175.59 3fel n ILE 10 N 2.35 0.00 -3.84 2.00 -5.35 0.14 -4.92 119.36 109.74 3fel n ILE 10 Ca 0.03 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.29 3fel n ILE 10 Cb 0.45 0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 3fel n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3fel s ARG 11 N -1.74 0.51 -0.11 6.28 1.81 -0.99 -4.96 118.95 119.74 3fel s ARG 11 Ca 0.00 -0.29 -0.10 0.00 -1.72 0.00 0.00 55.73 53.62 3fel s ARG 11 Cb 0.00 0.22 0.03 0.00 -0.45 0.00 0.00 34.95 34.75 3fel s ARG 11 CO 0.00 -0.12 0.30 0.45 -0.68 0.00 0.00 175.30 175.24 3fel s SER 12 N -1.24 -0.31 -0.11 0.23 0.15 -1.26 -1.27 113.70 109.88 3fel s SER 12 Ca -0.13 0.60 -0.05 0.00 0.70 0.00 0.00 55.95 57.08 3fel s SER 12 Cb -0.07 0.60 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 3fel s SER 12 CO 0.02 -0.11 0.24 -0.70 1.20 0.00 0.00 173.24 173.89 3fel s GLU 13 N 0.28 0.14 -0.23 5.44 2.56 -0.34 -4.87 118.70 121.68 3fel s GLU 13 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 54.97 55.61 3fel s GLU 13 Cb -0.03 -0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.00 3fel s GLU 13 CO -0.01 -0.25 0.00 -1.71 -0.56 0.00 0.00 175.26 172.73 3fel n ASN 14 N 5.02 -3.54 -0.17 -1.70 5.15 -1.26 -2.14 115.26 116.63 3fel n ASN 14 Ca -0.11 0.05 -0.09 0.00 -0.60 0.00 0.00 54.58 53.83 3fel n ASN 14 Cb 0.51 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 3fel n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3fel h PHE 15 N 0.00 0.82 -0.11 1.20 3.57 -1.90 -1.80 116.94 118.73 3fel h PHE 15 Ca -0.04 -0.11 -0.20 0.00 3.53 0.00 0.00 57.97 61.15 3fel h PHE 15 Cb 0.23 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3fel h PHE 15 CO 0.12 0.76 -0.74 1.49 -2.23 0.00 0.00 178.31 177.71 3fel h GLU 16 N 0.65 0.53 -0.43 1.11 4.81 -1.96 -2.19 114.58 117.11 3fel h GLU 16 Ca 0.15 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 3fel h GLU 16 Cb 0.36 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3fel h GLU 16 CO 0.01 1.06 -0.14 0.93 -0.73 0.00 0.00 179.01 180.13 3fel h GLU 17 N 0.36 0.80 -0.47 1.92 4.39 -1.97 -0.04 114.58 119.57 3fel h GLU 17 Ca -0.04 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.45 3fel h GLU 17 Cb 1.33 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 3fel h GLU 17 CO 0.14 0.89 0.16 1.25 -1.16 0.00 0.00 179.01 180.29 3fel h LEU 18 N 0.71 0.15 -0.53 1.33 5.85 -1.09 -0.69 115.31 121.03 3fel h LEU 18 Ca 0.11 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3fel h LEU 18 Cb 0.64 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3fel h LEU 18 CO 0.04 0.11 0.12 -0.07 -0.34 0.00 0.00 178.44 178.31 3fel h LEU 19 N 0.32 0.81 -0.18 2.25 3.38 -0.93 -2.83 115.31 118.13 3fel h LEU 19 Ca 0.23 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3fel h LEU 19 Cb 0.24 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3fel h LEU 19 CO -0.24 0.83 -0.09 0.50 0.09 0.00 0.00 178.44 179.53 3fel h LYS 20 N 0.74 -0.07 0.00 1.13 3.64 -0.57 -2.04 116.57 119.39 3fel h LYS 20 Ca 0.16 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3fel h LYS 20 Cb 0.35 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3fel h LYS 20 CO 0.00 -0.05 -0.06 0.28 -2.27 0.00 0.00 179.45 177.36 3fel h VAL 21 N -0.08 0.23 -0.16 2.00 2.07 -1.08 -0.44 116.25 118.79 3fel h VAL 21 Ca 0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3fel h VAL 21 Cb 0.23 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3fel h VAL 21 CO -0.23 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.60 3fel n LEU 22 N -3.29 0.92 -0.60 2.57 4.77 -0.86 -4.91 117.00 115.61 3fel n LEU 22 Ca -0.01 -0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 55.44 3fel n LEU 22 Cb 0.24 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3fel n LEU 22 CO 0.27 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.09 3fel n GLY 23 N 0.80 0.92 3.68 -0.72 0.00 -0.17 -5.00 105.19 104.69 3fel n GLY 23 Ca 0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3fel n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fel s VAL 24 N -2.29 3.91 0.94 1.61 1.01 -0.83 -4.99 120.40 119.76 3fel s VAL 24 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 3fel s VAL 24 Cb 0.00 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.75 3fel s VAL 24 CO 0.00 -0.03 1.11 0.54 0.00 0.00 0.00 175.10 176.72 3fel s ASN 25 N 1.99 2.84 0.16 3.32 2.20 -1.26 -4.57 114.94 119.62 3fel s ASN 25 Ca 0.62 1.95 -0.14 0.00 -0.94 0.00 0.00 52.86 54.34 3fel s ASN 25 Cb -0.28 -2.48 0.04 0.00 -2.00 0.00 0.00 41.25 36.53 3fel s ASN 25 CO 0.24 -3.11 1.73 1.62 -2.94 0.00 0.00 177.10 174.64 3fel h VAL 26 N -1.87 1.20 -0.11 3.54 3.04 -1.99 -1.72 116.25 118.34 3fel h VAL 26 Ca -0.47 -0.57 0.04 0.00 -1.01 0.00 0.00 66.70 64.69 3fel h VAL 26 Cb 1.28 0.65 -0.06 0.00 -2.01 0.00 0.00 31.29 31.14 3fel h VAL 26 CO 0.46 0.22 -0.47 0.24 -1.01 0.00 0.00 177.57 177.01 3fel h MET 27 N 0.66 -0.53 -0.23 4.17 2.86 -2.00 -1.17 114.93 118.69 3fel h MET 27 Ca 0.17 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3fel h MET 27 Cb 0.14 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3fel h MET 27 CO -0.02 -0.35 -0.02 -0.07 1.06 0.00 0.00 176.91 177.51 3fel h LEU 28 N -0.55 0.32 -0.28 1.22 3.38 -1.86 -2.17 115.31 115.36 3fel h LEU 28 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3fel h LEU 28 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fel h LEU 28 CO -0.40 0.39 -0.03 0.03 0.09 0.00 0.00 178.44 178.53 3fel h ARG 29 N 0.34 0.52 -0.34 1.13 3.08 -0.88 0.71 114.38 118.94 3fel h ARG 29 Ca 0.08 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3fel h ARG 29 Cb 0.26 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3fel h ARG 29 CO 0.01 0.69 0.14 0.87 -1.07 0.00 0.00 179.97 180.61 3fel h LYS 30 N 0.29 0.29 0.38 0.04 1.57 -0.88 0.29 116.57 118.55 3fel h LYS 30 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3fel h LYS 30 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3fel h LYS 30 CO 0.02 0.19 -0.18 0.82 -0.57 0.00 0.00 179.45 179.73 3fel h ILE 31 N 0.30 0.63 -0.88 1.86 2.04 -1.33 0.13 117.51 120.26 3fel h ILE 31 Ca 0.15 -0.25 0.14 0.00 1.00 0.00 0.00 64.86 65.90 3fel h ILE 31 Cb 0.09 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 3fel h ILE 31 CO -0.13 0.05 0.48 0.00 0.00 0.00 0.00 178.15 178.55 3fel h ALA 32 N -0.09 1.33 -0.08 1.87 0.00 -0.66 0.18 119.26 121.80 3fel h ALA 32 Ca -0.05 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3fel h ALA 32 Cb 0.47 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fel h ALA 32 CO 0.09 -0.04 -0.63 0.28 0.00 0.00 0.00 179.25 178.95 3fel h VAL 33 N 0.69 1.35 -0.02 0.00 2.07 -0.21 0.96 116.25 121.10 3fel h VAL 33 Ca 0.47 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 66.06 3fel h VAL 33 Cb 0.64 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3fel h VAL 33 CO -0.34 0.59 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 3fel h ALA 34 N 0.45 -0.04 -0.29 1.67 0.00 -0.27 -3.02 119.26 117.76 3fel h ALA 34 Ca -0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3fel h ALA 34 Cb 1.28 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3fel h ALA 34 CO 0.13 -0.54 -0.17 0.00 0.00 0.00 0.00 179.25 178.67 3fel h ALA 35 N 0.93 1.17 0.00 0.00 0.00 -0.64 -2.78 119.26 117.94 3fel h ALA 35 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fel h ALA 35 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fel h ALA 35 CO -0.06 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3fel n ALA 36 N -2.48 2.41 0.65 0.00 0.00 0.33 -2.58 120.51 118.84 3fel n ALA 36 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 3fel n ALA 36 Cb 0.36 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 18.80 3fel n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fel n SER 37 N -0.88 0.68 -2.93 0.00 3.41 -1.05 -4.16 113.62 108.69 3fel n SER 37 Ca 0.15 0.31 -0.19 0.00 -0.26 0.00 0.00 58.87 58.88 3fel n SER 37 Cb 0.07 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3fel n SER 37 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fel n LYS 38 N -2.09 1.77 -2.30 4.33 5.02 -1.06 -4.98 118.16 118.85 3fel n LYS 38 Ca 0.05 -3.79 -0.25 0.00 -2.02 0.00 0.00 58.31 52.29 3fel n LYS 38 Cb 0.42 -1.77 0.09 0.00 -0.02 0.00 0.00 35.03 33.76 3fel n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fel s PRO 39 N -2.94 1.84 -0.08 1.97 0.04 -1.26 -4.52 135.00 130.06 3fel s PRO 39 Ca 0.40 -0.55 -0.01 0.00 0.04 0.00 0.00 61.00 60.88 3fel s PRO 39 Cb 0.37 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 32.75 3fel s PRO 39 CO -0.08 -1.44 -0.03 0.00 0.04 0.00 0.00 177.00 175.50 3fel s ALA 40 N -3.28 0.89 -0.21 8.56 0.00 0.87 -4.69 121.76 123.89 3fel s ALA 40 Ca 0.64 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 3fel s ALA 40 Cb -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3fel s ALA 40 CO 0.45 -0.37 -0.02 0.08 0.00 0.00 0.00 175.76 175.90 3fel s VAL 41 N 1.71 3.61 -0.13 0.00 1.01 -1.00 -0.56 120.40 125.05 3fel s VAL 41 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3fel s VAL 41 Cb -0.13 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3fel s VAL 41 CO -0.05 0.42 -0.14 -0.70 0.00 0.00 0.00 175.10 174.63 3fel s GLU 42 N 1.33 3.34 -0.06 2.72 2.12 0.68 0.19 118.70 129.02 3fel s GLU 42 Ca 0.04 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3fel s GLU 42 Cb -0.14 -2.60 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 3fel s GLU 42 CO -0.01 0.19 -0.20 0.42 -0.54 0.00 0.00 175.26 175.13 3fel s ILE 43 N 0.39 1.68 -0.22 -3.70 1.01 -0.16 -0.65 121.20 119.54 3fel s ILE 43 Ca -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3fel s ILE 43 Cb -0.16 -1.45 0.05 0.00 0.01 0.00 0.00 42.46 40.91 3fel s ILE 43 CO 0.06 0.47 -0.10 -0.54 0.00 0.00 0.00 174.94 174.83 3fel s LYS 44 N 0.15 2.11 -0.20 2.79 1.02 0.51 -1.13 119.74 124.98 3fel s LYS 44 Ca -0.09 -1.03 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 3fel s LYS 44 Cb -0.14 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3fel s LYS 44 CO 0.04 -0.49 0.01 -1.14 -0.92 0.00 0.00 175.35 172.86 3fel s GLN 45 N 1.29 3.69 -0.44 1.68 0.74 -1.26 -0.63 119.66 124.73 3fel s GLN 45 Ca -0.04 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 54.91 3fel s GLN 45 Cb -0.18 -3.11 0.12 0.00 1.10 0.00 0.00 33.01 30.95 3fel s GLN 45 CO -0.07 0.07 0.19 -1.21 -0.55 0.00 0.00 175.29 173.72 3fel s GLU 46 N 0.87 1.52 7.91 1.67 2.02 0.47 -4.83 118.70 128.33 3fel s GLU 46 Ca 0.01 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3fel s GLU 46 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.25 3fel s GLU 46 CO 0.02 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.63 3fel n GLY 47 N 3.67 3.80 0.29 -1.39 0.00 -1.26 -1.72 105.19 108.57 3fel n GLY 47 Ca 0.05 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3fel n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fel n ASP 48 N 7.91 0.97 -4.77 1.61 10.43 -1.26 -4.84 116.55 126.60 3fel n ASP 48 Ca 0.00 -1.12 -0.37 0.00 2.57 0.00 0.00 54.79 55.88 3fel n ASP 48 Cb 0.00 0.01 -0.07 0.00 1.84 0.00 0.00 41.12 42.90 3fel n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3fel s THR 49 N -2.20 5.30 0.04 -3.53 2.01 -0.70 -0.87 115.64 115.68 3fel s THR 49 Ca 0.35 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.90 3fel s THR 49 Cb 0.21 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 3fel s THR 49 CO 0.41 0.47 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.33 3fel s PHE 50 N -0.08 0.96 -0.09 4.92 0.40 0.76 -0.39 117.98 124.46 3fel s PHE 50 Ca 0.17 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3fel s PHE 50 Cb -0.13 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.84 3fel s PHE 50 CO 0.05 -0.00 -0.16 -0.47 0.70 0.00 0.00 175.22 175.34 3fel s TYR 51 N -0.96 1.95 -0.08 0.36 5.04 0.19 -1.37 117.35 122.50 3fel s TYR 51 Ca -0.02 -0.84 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3fel s TYR 51 Cb -0.08 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.87 3fel s TYR 51 CO 0.01 -0.40 -0.07 0.42 -1.34 0.00 0.00 175.55 174.16 3fel s ILE 52 N 0.73 0.87 -0.10 3.14 1.01 -0.05 -0.36 121.20 126.43 3fel s ILE 52 Ca -0.12 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3fel s ILE 52 Cb -0.16 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.45 3fel s ILE 52 CO 0.03 0.32 -0.19 -0.75 0.00 0.00 0.00 174.94 174.34 3fel s LYS 53 N 1.21 2.53 -0.02 2.79 2.20 0.18 -0.92 119.74 127.71 3fel s LYS 53 Ca -0.05 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.92 3fel s LYS 53 Cb -0.14 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 3fel s LYS 53 CO -0.02 0.06 -0.18 -2.00 -0.36 0.00 0.00 175.35 172.85 3fel s GLU 54 N 0.63 2.29 -0.02 4.03 2.12 -0.40 -0.23 118.70 127.12 3fel s GLU 54 Ca -0.14 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.38 3fel s GLU 54 Cb -0.16 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 31.99 3fel s GLU 54 CO 0.04 0.59 -0.04 -1.12 -0.54 0.00 0.00 175.26 174.19 3fel s SER 55 N -0.89 0.60 0.02 -1.70 0.01 0.28 -1.18 113.70 110.85 3fel s SER 55 Ca 0.12 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3fel s SER 55 Cb -0.10 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.96 3fel s SER 55 CO 0.01 0.01 0.00 0.35 0.41 0.00 0.00 173.24 174.02 3fel n THR 56 N 3.38 0.00 0.25 1.44 -2.24 0.49 -0.09 114.28 117.51 3fel n THR 56 Ca -0.18 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3fel n THR 56 Cb 0.55 -0.05 0.64 0.00 -2.10 0.00 0.00 70.33 69.38 3fel n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fel h THR 57 N 0.94 0.51 0.00 4.28 1.35 -1.79 -3.34 112.91 114.85 3fel h THR 57 Ca -0.02 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3fel h THR 57 Cb 0.06 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3fel h THR 57 CO 0.03 0.15 0.00 1.33 -0.25 0.00 0.00 175.52 176.78 3fel n VAL 58 N -3.49 0.00 -3.91 6.82 0.24 -1.26 -5.05 118.33 111.68 3fel n VAL 58 Ca -0.01 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 3fel n VAL 58 Cb 0.31 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 3fel n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3fel s ARG 59 N -0.75 0.42 -0.01 7.34 3.52 -1.25 -5.16 118.95 123.05 3fel s ARG 59 Ca 0.00 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3fel s ARG 59 Cb 0.00 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 3fel s ARG 59 CO 0.00 -0.09 0.03 0.95 -0.81 0.00 0.00 175.30 175.38 3fel s THR 60 N -1.37 -0.02 0.01 4.11 -4.23 -1.26 -0.38 115.64 112.50 3fel s THR 60 Ca -0.15 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 3fel s THR 60 Cb -0.08 -0.06 -0.01 0.00 1.34 0.00 0.00 72.50 73.69 3fel s THR 60 CO 0.01 0.03 -0.06 0.28 -0.54 0.00 0.00 174.62 174.33 3fel s THR 61 N 0.33 0.46 -0.03 3.99 -1.32 -0.32 -5.01 115.64 113.75 3fel s THR 61 Ca -0.03 -0.44 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 3fel s THR 61 Cb -0.04 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 3fel s THR 61 CO -0.01 -0.00 -0.05 -1.61 -2.21 0.00 0.00 174.62 170.74 3fel s GLU 62 N -0.49 0.66 0.04 7.08 2.02 -1.26 -1.27 118.70 125.48 3fel s GLU 62 Ca -0.01 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 54.90 3fel s GLU 62 Cb -0.04 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 3fel s GLU 62 CO -0.00 -0.01 -0.13 0.96 0.02 0.00 0.00 175.26 176.10 3fel s ILE 63 N 0.54 1.02 -0.11 -1.63 -4.36 -0.10 -5.00 121.20 111.57 3fel s ILE 63 Ca -0.07 -1.01 -0.00 0.00 -0.26 0.00 0.00 60.65 59.30 3fel s ILE 63 Cb -0.10 -0.95 0.03 0.00 1.25 0.00 0.00 42.46 42.69 3fel s ILE 63 CO -0.00 -0.06 -0.07 0.20 0.24 0.00 0.00 174.94 175.24 3fel s ASN 64 N -1.22 2.20 0.15 4.36 0.01 -1.26 -0.88 114.94 118.30 3fel s ASN 64 Ca -0.00 -0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 51.80 3fel s ASN 64 Cb -0.08 -0.84 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 3fel s ASN 64 CO 0.01 -0.12 0.15 0.72 -1.51 0.00 0.00 177.10 176.35 3fel s PHE 65 N 1.71 0.68 -0.07 2.20 -0.12 -0.47 -4.95 117.98 116.95 3fel s PHE 65 Ca 0.05 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 55.93 3fel s PHE 65 Cb -0.13 -0.31 -0.00 0.00 -0.63 0.00 0.00 43.02 41.96 3fel s PHE 65 CO -0.08 -0.61 -0.21 0.21 -0.05 0.00 0.00 175.22 174.48 3fel s LYS 66 N -4.02 2.46 0.28 1.99 2.20 -1.26 -0.17 119.74 121.22 3fel s LYS 66 Ca 0.22 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 3fel s LYS 66 Cb 0.06 -1.97 -0.13 0.00 -1.51 0.00 0.00 37.83 34.27 3fel s LYS 66 CO 0.01 0.21 1.25 0.28 -0.36 0.00 0.00 175.35 176.75 3fel n VAL 67 N 3.36 1.59 -0.19 4.02 0.31 -0.05 -1.11 118.33 126.26 3fel n VAL 67 Ca -0.19 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 3fel n VAL 67 Cb 0.53 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3fel n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fel n GLY 68 N 1.40 1.31 3.21 2.92 0.00 0.26 -5.00 105.19 109.28 3fel n GLY 68 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3fel n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fel s GLU 69 N -0.46 2.41 0.29 1.61 2.02 -0.27 -4.98 118.70 119.33 3fel s GLU 69 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 3fel s GLU 69 Cb 0.00 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 3fel s GLU 69 CO 0.00 0.28 1.20 -1.21 0.02 0.00 0.00 175.26 175.55 3fel s GLU 70 N 0.05 4.51 0.20 1.61 2.02 -1.26 -4.54 118.70 121.28 3fel s GLU 70 Ca -0.08 1.99 -0.00 0.00 0.02 0.00 0.00 54.97 56.89 3fel s GLU 70 Cb -0.14 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3fel s GLU 70 CO 0.04 0.01 0.10 -0.59 0.02 0.00 0.00 175.26 174.85 3fel s PHE 71 N -1.02 1.18 -0.09 1.61 -0.71 -0.67 -4.97 117.98 113.31 3fel s PHE 71 Ca 0.47 -1.30 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 3fel s PHE 71 Cb -0.35 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 40.81 3fel s PHE 71 CO 0.45 -0.54 0.02 -2.00 -1.34 0.00 0.00 175.22 171.81 3fel s GLU 72 N -4.11 3.06 0.00 1.99 2.12 -1.26 0.08 118.70 120.58 3fel s GLU 72 Ca 0.35 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.30 3fel s GLU 72 Cb 0.07 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.62 3fel s GLU 72 CO 0.10 0.69 0.00 -0.85 -0.54 0.00 0.00 175.26 174.66 3fel n GLU 73 N 2.18 0.00 -4.04 4.30 0.28 -0.34 -4.95 120.64 118.07 3fel n GLU 73 Ca -0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.72 3fel n GLU 73 Cb 0.54 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.30 3fel n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fel s GLN 74 N 1.97 0.49 0.93 3.44 -0.21 -1.26 -1.41 119.66 123.61 3fel s GLN 74 Ca 0.00 -0.88 -0.13 0.00 0.02 0.00 0.00 55.36 54.37 3fel s GLN 74 Cb 0.00 0.04 0.15 0.00 1.00 0.00 0.00 33.01 34.20 3fel s GLN 74 CO 0.00 -0.05 1.14 0.95 -2.12 0.00 0.00 175.29 175.22 3fel s THR 75 N -2.37 1.98 0.56 -0.19 -4.23 1.00 -4.86 115.64 107.52 3fel s THR 75 Ca -0.06 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.69 3fel s THR 75 Cb -0.03 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.40 3fel s THR 75 CO -0.04 0.00 2.17 1.62 -0.54 0.00 0.00 174.62 177.83 3fel h VAL 76 N -1.58 0.72 -0.49 2.29 3.04 -1.99 0.76 116.25 118.99 3fel h VAL 76 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3fel h VAL 76 Cb 1.33 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 3fel h VAL 76 CO 0.59 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.25 3fel n ASP 77 N -4.15 3.82 0.00 3.17 5.75 -1.26 -4.93 116.55 118.94 3fel n ASP 77 Ca -0.01 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3fel n ASP 77 Cb 0.17 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3fel n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fel n GLY 78 N 0.89 0.68 3.72 6.12 0.00 0.26 -5.05 105.19 111.80 3fel n GLY 78 Ca 0.20 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3fel n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fel s ARG 79 N -0.57 4.37 0.32 1.61 0.52 -1.26 -4.76 118.95 119.19 3fel s ARG 79 Ca 0.00 0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 55.51 3fel s ARG 79 Cb 0.00 -3.44 -0.12 0.00 0.52 0.00 0.00 34.95 31.92 3fel s ARG 79 CO 0.00 0.13 1.56 -2.30 0.02 0.00 0.00 175.30 174.71 3fel n PRO 80 N 3.69 2.68 -3.85 3.54 -0.02 -1.26 -0.00 135.00 139.78 3fel n PRO 80 Ca -0.05 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 3fel n PRO 80 Cb 0.52 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 3fel n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fel s LYS 82 N -3.72 4.22 0.19 0.00 2.20 0.14 -1.20 119.74 121.56 3fel s LYS 82 Ca 0.04 -0.05 0.11 0.00 -0.36 0.00 0.00 55.97 55.71 3fel s LYS 82 Cb 0.04 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 3fel s LYS 82 CO -0.10 0.25 -0.23 -1.12 -0.36 0.00 0.00 175.35 173.79 3fel s SER 83 N 0.47 3.52 -0.05 1.43 0.01 0.11 -0.64 113.70 118.55 3fel s SER 83 Ca 0.13 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 3fel s SER 83 Cb -0.12 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 65.84 3fel s SER 83 CO 0.01 0.12 0.10 -0.22 0.41 0.00 0.00 173.24 173.66 3fel s LEU 84 N -2.66 0.64 -0.10 2.44 2.96 -0.91 -1.68 118.68 119.38 3fel s LEU 84 Ca 0.21 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3fel s LEU 84 Cb -0.08 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.71 3fel s LEU 84 CO 0.10 -0.17 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.27 3fel s VAL 85 N 1.44 4.27 0.13 1.68 1.01 -1.26 -1.70 120.40 125.97 3fel s VAL 85 Ca -0.05 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3fel s VAL 85 Cb -0.12 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3fel s VAL 85 CO -0.05 0.57 -0.10 -1.59 0.00 0.00 0.00 175.10 173.94 3fel s LYS 86 N -0.57 1.01 -0.07 2.72 -2.85 -0.09 -0.57 119.74 119.32 3fel s LYS 86 Ca 0.10 -1.38 -0.26 0.00 -1.00 0.00 0.00 55.97 53.43 3fel s LYS 86 Cb -0.12 -0.61 -0.03 0.00 -2.06 0.00 0.00 37.83 35.02 3fel s LYS 86 CO 0.02 0.08 0.83 -1.58 0.10 0.00 0.00 175.35 174.80 3fel s TRP 87 N -3.09 3.57 -0.09 1.78 0.52 -1.26 -0.49 118.94 119.88 3fel s TRP 87 Ca 0.14 1.42 -0.02 0.00 0.02 0.00 0.00 56.10 57.66 3fel s TRP 87 Cb 0.01 -2.97 -0.26 0.00 -1.15 0.00 0.00 33.47 29.11 3fel s TRP 87 CO 0.00 -0.02 0.49 1.49 0.02 0.00 0.00 176.95 178.93 3fel h GLU 88 N 6.90 0.20 0.00 4.98 4.81 -1.07 -3.47 114.58 126.92 3fel h GLU 88 Ca -0.38 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 3fel h GLU 88 Cb 1.19 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3fel h GLU 88 CO 0.77 1.02 0.00 -1.13 -0.73 0.00 0.00 179.01 178.94 3fel n SER 89 N -3.37 0.00 0.23 1.04 3.41 -1.12 -5.00 113.62 108.81 3fel n SER 89 Ca -0.26 -0.69 0.07 0.00 -0.26 0.00 0.00 58.87 57.73 3fel n SER 89 Cb 1.05 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.54 3fel n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fel h GLU 90 N 0.00 0.00 0.00 4.33 4.81 -2.02 -3.19 114.58 118.51 3fel h GLU 90 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fel h GLU 90 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3fel h GLU 90 CO 0.00 0.21 -0.29 0.27 -0.73 0.00 0.00 179.01 178.46 3fel n ASN 91 N -4.05 1.66 -3.69 1.04 6.94 -1.26 -4.34 115.26 111.55 3fel n ASN 91 Ca -0.02 -2.98 -0.14 0.00 -0.02 0.00 0.00 54.58 51.41 3fel n ASN 91 Cb 0.28 -0.40 -0.14 0.00 -2.36 0.00 0.00 39.78 37.16 3fel n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3fel s LYS 92 N -2.19 0.11 0.13 -3.83 2.20 -1.21 -1.26 119.74 113.69 3fel s LYS 92 Ca 0.28 0.57 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 3fel s LYS 92 Cb 0.26 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3fel s LYS 92 CO -0.01 -0.25 -0.07 0.00 -0.36 0.00 0.00 175.35 174.66 3fel s MET 93 N 1.94 2.22 -0.02 4.03 0.23 -0.08 -0.42 119.30 127.20 3fel s MET 93 Ca -0.02 -1.05 0.04 0.00 -1.03 0.00 0.00 55.69 53.63 3fel s MET 93 Cb -0.12 -2.33 -0.00 0.00 -1.53 0.00 0.00 34.83 30.85 3fel s MET 93 CO -0.07 0.49 -0.13 0.08 -2.03 0.00 0.00 175.02 173.36 3fel s VAL 94 N -1.39 1.07 -0.13 5.16 1.01 0.35 -1.79 120.40 124.69 3fel s VAL 94 Ca 0.24 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3fel s VAL 94 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.37 3fel s VAL 94 CO 0.15 0.31 -0.22 0.00 0.00 0.00 0.00 175.10 175.35 3fel s GLU 96 N 0.80 3.91 -0.07 0.00 0.41 -0.69 -2.12 118.70 120.94 3fel s GLU 96 Ca -0.08 -0.21 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 3fel s GLU 96 Cb -0.16 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 28.85 3fel s GLU 96 CO -0.01 0.45 -0.08 -0.65 -0.49 0.00 0.00 175.26 174.48 3fel s GLN 97 N -0.08 2.72 -0.09 1.61 -0.21 -1.06 -2.14 119.66 120.41 3fel s GLN 97 Ca 0.10 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3fel s GLN 97 Cb -0.11 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.35 3fel s GLN 97 CO 0.00 0.65 -0.16 0.15 -2.12 0.00 0.00 175.29 173.81 3fel s LYS 98 N -0.78 2.23 0.39 2.91 1.02 0.19 -4.50 119.74 121.19 3fel s LYS 98 Ca 0.12 -0.58 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 3fel s LYS 98 Cb -0.11 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 3fel s LYS 98 CO 0.01 0.02 1.40 -0.51 -0.92 0.00 0.00 175.35 175.36 3fel s LEU 99 N 0.72 4.29 0.08 3.17 1.43 -1.26 0.25 118.68 127.36 3fel s LEU 99 Ca -0.12 2.88 -0.13 0.00 -1.03 0.00 0.00 54.13 55.72 3fel s LEU 99 Cb -0.16 -3.75 -0.21 0.00 0.03 0.00 0.00 46.19 42.09 3fel s LEU 99 CO 0.03 -0.85 1.21 -0.07 0.23 0.00 0.00 176.35 176.90 3fel h LEU 100 N 2.90 0.91 -8.14 1.79 3.38 -1.78 -3.44 115.31 110.93 3fel h LEU 100 Ca -0.50 -0.71 -0.59 0.00 0.09 0.00 0.00 57.88 56.17 3fel h LEU 100 Cb 1.24 -0.28 -0.33 0.00 0.09 0.00 0.00 40.66 41.38 3fel h LEU 100 CO 0.64 1.51 -0.84 -0.54 0.09 0.00 0.00 178.44 179.29 3fel s LYS 101 N -3.39 2.33 1.71 1.13 1.02 -1.26 -5.08 119.74 116.19 3fel s LYS 101 Ca -0.10 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3fel s LYS 101 Cb 0.07 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 3fel s LYS 101 CO 0.92 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.85 3fel n GLY 102 N 3.69 -1.57 3.54 -3.33 0.00 -1.26 -4.97 105.19 101.29 3fel n GLY 102 Ca -0.21 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 3fel n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fel s GLU 103 N 0.00 1.80 0.00 1.61 2.02 -1.26 -4.79 118.70 118.07 3fel s GLU 103 Ca 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.01 3fel s GLU 103 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.86 3fel s GLU 103 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3fel n GLY 104 N -0.81 -1.25 3.71 -1.39 0.00 -1.26 -5.09 105.19 99.10 3fel n GLY 104 Ca -0.04 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 3fel n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fel n PRO 105 N -0.08 0.83 -2.28 1.61 -0.04 -1.26 -4.91 135.00 128.87 3fel n PRO 105 Ca 0.00 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 3fel n PRO 105 Cb 0.00 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 30.95 3fel n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3fel s LYS 106 N -3.55 4.22 0.11 0.54 2.20 -1.26 -4.85 119.74 117.15 3fel s LYS 106 Ca 0.80 1.85 0.09 0.00 -0.36 0.00 0.00 55.97 58.35 3fel s LYS 106 Cb -0.36 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 3fel s LYS 106 CO 0.44 -0.75 -0.19 0.95 -0.36 0.00 0.00 175.35 175.44 3fel s THR 107 N 3.63 2.76 0.28 3.43 -4.23 -1.26 -0.87 115.64 119.37 3fel s THR 107 Ca 0.61 -1.48 -0.16 0.00 -1.18 0.00 0.00 61.69 59.48 3fel s THR 107 Cb -0.26 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.35 3fel s THR 107 CO 0.20 0.14 0.61 -0.94 -0.54 0.00 0.00 174.62 174.09 3fel s SER 108 N -2.01 -0.12 0.07 3.99 1.04 -0.99 -2.57 113.70 113.12 3fel s SER 108 Ca 0.17 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 3fel s SER 108 Cb -0.10 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3fel s SER 108 CO 0.09 -1.28 0.29 -1.66 0.98 0.00 0.00 173.24 171.65 3fel s TRP 109 N -3.80 -0.04 0.07 5.02 1.48 -0.90 -1.87 118.94 118.89 3fel s TRP 109 Ca 0.17 -0.22 0.03 0.00 -1.06 0.00 0.00 56.10 55.03 3fel s TRP 109 Cb -0.03 0.08 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 3fel s TRP 109 CO 0.09 -0.55 -0.09 0.95 -4.06 0.00 0.00 176.95 173.29 3fel s THR 110 N -3.17 0.76 -0.04 0.66 -4.23 -0.21 -0.55 115.64 108.86 3fel s THR 110 Ca -0.01 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3fel s THR 110 Cb 0.01 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.76 3fel s THR 110 CO -0.07 -0.52 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.67 3fel s LEU 111 N -2.16 1.53 0.01 4.79 1.43 -0.74 -1.86 118.68 121.69 3fel s LEU 111 Ca -0.00 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3fel s LEU 111 Cb -0.05 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 3fel s LEU 111 CO -0.01 -0.01 -0.03 -1.83 0.23 0.00 0.00 176.35 174.70 3fel s GLU 112 N 0.61 0.27 -0.13 1.70 -1.05 -0.70 -0.90 118.70 118.51 3fel s GLU 112 Ca -0.09 -0.36 -0.04 0.00 -0.15 0.00 0.00 54.97 54.33 3fel s GLU 112 Cb -0.12 -0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.43 3fel s GLU 112 CO 0.01 0.02 0.01 -0.48 0.95 0.00 0.00 175.26 175.76 3fel s LEU 113 N -0.75 3.55 0.40 1.83 2.34 -0.39 -1.02 118.68 124.65 3fel s LEU 113 Ca -0.06 0.05 -0.02 0.00 0.06 0.00 0.00 54.13 54.16 3fel s LEU 113 Cb -0.05 -1.85 -0.03 0.00 -0.56 0.00 0.00 46.19 43.70 3fel s LEU 113 CO -0.00 0.26 0.64 0.28 -1.06 0.00 0.00 176.35 176.46 3fel s THR 114 N -0.16 4.99 0.47 5.48 -1.32 -0.28 -4.88 115.64 119.94 3fel s THR 114 Ca 0.05 -0.23 0.13 0.00 -1.21 0.00 0.00 61.69 60.43 3fel s THR 114 Cb -0.13 -3.85 0.23 0.00 -1.51 0.00 0.00 72.50 67.25 3fel s THR 114 CO 0.02 -0.65 2.06 -1.13 -2.21 0.00 0.00 174.62 172.71 3fel h ASN 115 N 0.55 0.10 -0.09 8.08 -1.24 -2.00 -0.84 115.58 120.14 3fel h ASN 115 Ca -0.49 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 3fel h ASN 115 Cb 1.22 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.24 3fel h ASN 115 CO 0.61 0.15 0.00 0.47 -1.29 0.00 0.00 177.43 177.37 3fel n ASP 116 N -4.44 0.50 0.00 1.15 8.00 -1.26 -4.90 116.55 115.60 3fel n ASP 116 Ca -0.02 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3fel n ASP 116 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3fel n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fel n GLY 117 N 0.67 0.46 3.90 0.44 0.00 -0.32 -5.05 105.19 105.29 3fel n GLY 117 Ca 0.04 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3fel n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fel s GLU 118 N -1.90 3.53 -0.17 1.61 2.02 -1.26 -4.31 118.70 118.22 3fel s GLU 118 Ca 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.74 3fel s GLU 118 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 3fel s GLU 118 CO 0.00 0.60 -0.04 -1.17 0.02 0.00 0.00 175.26 174.67 3fel s LEU 119 N -2.20 3.10 -0.22 1.80 2.96 0.41 -1.12 118.68 123.41 3fel s LEU 119 Ca 0.33 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3fel s LEU 119 Cb -0.13 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3fel s LEU 119 CO 0.22 0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.64 3fel s ILE 120 N 0.73 2.95 -0.20 6.68 1.01 -0.18 -0.65 121.20 131.53 3fel s ILE 120 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 3fel s ILE 120 Cb -0.15 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3fel s ILE 120 CO 0.02 0.40 0.11 -0.22 0.00 0.00 0.00 174.94 175.25 3fel s LEU 121 N 1.40 4.06 0.03 2.97 2.96 -0.10 -1.72 118.68 128.29 3fel s LEU 121 Ca 0.04 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3fel s LEU 121 Cb -0.14 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3fel s LEU 121 CO -0.06 0.17 -0.14 0.42 -1.32 0.00 0.00 176.35 175.43 3fel s THR 122 N 0.39 3.13 -0.07 3.68 -4.23 -0.78 -1.26 115.64 116.50 3fel s THR 122 Ca 0.06 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 3fel s THR 122 Cb -0.12 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3fel s THR 122 CO -0.01 0.34 -0.13 -0.04 -0.54 0.00 0.00 174.62 174.24 3fel s MET 123 N -1.47 1.83 0.02 3.99 -1.94 -0.18 -1.05 119.30 120.50 3fel s MET 123 Ca 0.16 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 3fel s MET 123 Cb -0.11 -1.49 -0.03 0.00 2.01 0.00 0.00 34.83 35.21 3fel s MET 123 CO 0.07 0.04 -0.25 0.99 -0.01 0.00 0.00 175.02 175.85 3fel s THR 124 N 0.65 2.21 -0.28 2.05 2.01 -0.78 -0.46 115.64 121.04 3fel s THR 124 Ca -0.15 -1.26 -0.01 0.00 0.31 0.00 0.00 61.69 60.58 3fel s THR 124 Cb -0.16 -1.84 0.09 0.00 0.01 0.00 0.00 72.50 70.60 3fel s THR 124 CO 0.04 0.43 0.07 0.00 -0.69 0.00 0.00 174.62 174.47 3fel s ALA 125 N -0.76 1.53 0.00 7.40 0.00 -0.56 -2.33 121.76 127.04 3fel s ALA 125 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.60 3fel s ALA 125 Cb -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3fel s ALA 125 CO 0.01 -1.52 0.00 -0.25 0.00 0.00 0.00 175.76 174.00 3fel n ASP 126 N 4.85 0.00 -0.74 0.00 8.00 -0.05 -1.99 116.55 126.62 3fel n ASP 126 Ca -0.04 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.52 3fel n ASP 126 Cb 0.43 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.73 3fel n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fel n ASP 127 N 10.71 3.30 -4.46 -2.24 5.75 -1.26 -4.94 116.55 123.41 3fel n ASP 127 Ca 0.00 -2.39 -0.35 0.00 -0.01 0.00 0.00 54.79 52.04 3fel n ASP 127 Cb 0.00 -0.35 -0.12 0.00 -1.03 0.00 0.00 41.12 39.62 3fel n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fel s VAL 128 N -1.70 4.05 -0.10 2.12 1.01 -0.84 -5.09 120.40 119.84 3fel s VAL 128 Ca 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3fel s VAL 128 Cb 0.20 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3fel s VAL 128 CO 0.13 0.42 -0.14 -0.69 0.00 0.00 0.00 175.10 174.82 3fel s VAL 129 N 1.03 3.02 -0.08 2.92 1.01 -1.26 -1.49 120.40 125.55 3fel s VAL 129 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3fel s VAL 129 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3fel s VAL 129 CO 0.02 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 3fel s THR 131 N -0.23 2.18 0.02 0.00 2.01 -0.91 -1.01 115.64 117.70 3fel s THR 131 Ca 0.00 -1.17 0.03 0.00 0.31 0.00 0.00 61.69 60.86 3fel s THR 131 Cb -0.13 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 3fel s THR 131 CO 0.03 0.51 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.84 3fel s LYS 132 N -0.84 0.65 -0.02 4.92 1.02 -0.39 -1.20 119.74 123.88 3fel s LYS 132 Ca 0.11 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.63 3fel s LYS 132 Cb -0.10 -0.58 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 3fel s LYS 132 CO 0.00 0.14 -0.15 0.08 -0.92 0.00 0.00 175.35 174.51 3fel s VAL 133 N -0.66 1.20 0.13 3.17 1.01 -0.39 -0.93 120.40 123.93 3fel s VAL 133 Ca -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3fel s VAL 133 Cb -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3fel s VAL 133 CO 0.00 0.34 -0.13 -0.31 0.00 0.00 0.00 175.10 175.00 3fel s TYR 134 N -0.27 1.38 0.14 5.22 1.51 0.17 0.28 117.35 125.79 3fel s TYR 134 Ca 0.04 -0.60 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 3fel s TYR 134 Cb -0.07 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 3fel s TYR 134 CO -0.00 0.14 -0.15 0.14 -1.11 0.00 0.00 175.55 174.57 3fel s VAL 135 N -2.42 1.50 0.48 0.71 -7.23 -0.71 -0.44 120.40 112.29 3fel s VAL 135 Ca 0.11 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 3fel s VAL 135 Cb -0.03 -1.70 -0.07 0.00 0.56 0.00 0.00 36.38 35.15 3fel s VAL 135 CO 0.03 -0.43 1.22 -0.13 -0.31 0.00 0.00 175.10 175.48 3fel s ARG 136 N -2.88 3.60 0.00 4.82 0.52 -1.26 -0.94 118.95 122.81 3fel s ARG 136 Ca 0.13 1.89 0.28 0.00 -0.52 0.00 0.00 55.73 57.51 3fel s ARG 136 Cb -0.04 -2.37 1.00 0.00 0.52 0.00 0.00 34.95 34.06 3fel s ARG 136 CO 0.04 -0.72 1.71 -0.85 0.02 0.00 0.00 175.30 175.51