#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa6 s ASN 2 N 0.00 2.53 0.00 3.54 3.84 -1.26 -5.00 114.94 118.59 3fa6 s ASN 2 Ca 0.00 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 52.87 3fa6 s ASN 2 Cb 0.00 -0.90 1.24 0.00 -0.55 0.00 0.00 41.25 41.04 3fa6 s ASN 2 CO 0.00 -0.14 1.88 0.49 -2.79 0.00 0.00 177.10 176.54 3fa6 n PHE 3 N 4.90 0.00 -1.72 0.43 3.01 -1.26 -4.89 117.46 117.92 3fa6 n PHE 3 Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 3fa6 n PHE 3 Cb 0.49 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3fa6 n PHE 3 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fa6 n SER 4 N -1.16 2.95 0.00 4.37 7.64 -1.26 -4.72 113.62 121.44 3fa6 n SER 4 Ca 0.13 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.17 3fa6 n SER 4 Cb 0.28 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 3fa6 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa6 n GLY 5 N 0.70 1.71 3.34 0.23 0.00 -0.03 -4.96 105.19 106.18 3fa6 n GLY 5 Ca 0.05 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 3fa6 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fa6 s ASN 6 N 0.00 5.69 -0.14 1.61 0.01 -1.26 -1.17 114.94 119.67 3fa6 s ASN 6 Ca 0.00 -1.13 -0.06 0.00 -0.71 0.00 0.00 52.86 50.96 3fa6 s ASN 6 Cb 0.00 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 3fa6 s ASN 6 CO 0.00 -0.42 0.06 0.26 -1.51 0.00 0.00 177.10 175.49 3fa6 s TRP 7 N 1.51 3.31 0.02 2.20 0.52 0.16 -0.67 118.94 125.99 3fa6 s TRP 7 Ca 0.02 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.43 3fa6 s TRP 7 Cb -0.20 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 3fa6 s TRP 7 CO 0.05 0.38 -0.24 -1.59 0.02 0.00 0.00 176.95 175.58 3fa6 s LYS 8 N -0.30 1.76 0.23 4.98 -2.85 -0.23 -1.57 119.74 121.75 3fa6 s LYS 8 Ca 0.09 -0.95 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 3fa6 s LYS 8 Cb -0.12 -1.81 -0.09 0.00 -2.06 0.00 0.00 37.83 33.75 3fa6 s LYS 8 CO 0.02 0.48 0.90 -1.50 0.10 0.00 0.00 175.35 175.35 3fa6 s ILE 9 N -0.68 4.14 0.00 3.79 2.07 -1.26 -1.37 121.20 127.88 3fa6 s ILE 9 Ca 0.10 2.00 0.00 0.00 -1.41 0.00 0.00 60.65 61.33 3fa6 s ILE 9 Cb -0.09 -4.28 0.00 0.00 0.13 0.00 0.00 42.46 38.22 3fa6 s ILE 9 CO 0.01 0.50 0.00 2.30 -1.91 0.00 0.00 174.94 175.83 3fa6 n ILE 10 N 1.49 0.00 -3.65 2.00 -5.35 0.66 -4.93 119.36 109.57 3fa6 n ILE 10 Ca -0.03 -0.16 -0.15 0.00 -0.27 0.00 0.00 62.75 62.14 3fa6 n ILE 10 Cb 0.47 0.64 -0.08 0.00 -1.74 0.00 0.00 39.64 38.94 3fa6 n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3fa6 s ARG 11 N -1.48 0.81 -0.00 6.28 3.52 -1.10 -4.99 118.95 121.99 3fa6 s ARG 11 Ca 0.00 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 3fa6 s ARG 11 Cb 0.00 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 3fa6 s ARG 11 CO 0.00 -0.21 -0.00 0.45 -0.81 0.00 0.00 175.30 174.73 3fa6 s SER 12 N -0.85 0.02 -0.06 -2.12 0.15 -1.26 -0.96 113.70 108.62 3fa6 s SER 12 Ca -0.09 -0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.56 3fa6 s SER 12 Cb -0.03 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 3fa6 s SER 12 CO 0.05 -0.00 -0.02 -0.70 1.20 0.00 0.00 173.24 173.78 3fa6 s GLU 13 N 0.04 0.65 -1.18 5.44 2.12 0.56 -4.86 118.70 121.47 3fa6 s GLU 13 Ca -0.00 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.35 3fa6 s GLU 13 Cb -0.01 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.52 3fa6 s GLU 13 CO -0.00 -0.20 0.00 0.09 -0.54 0.00 0.00 175.26 174.61 3fa6 n ASN 14 N 4.61 -4.29 -0.10 -1.70 3.02 -1.26 -1.49 115.26 114.05 3fa6 n ASN 14 Ca -0.16 0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 3fa6 n ASN 14 Cb 0.50 -2.88 -0.02 0.00 -0.61 0.00 0.00 39.78 36.77 3fa6 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fa6 h PHE 15 N 0.00 0.44 -0.73 3.10 3.57 -1.90 -0.16 116.94 121.26 3fa6 h PHE 15 Ca -0.24 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 3fa6 h PHE 15 Cb 0.79 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3fa6 h PHE 15 CO 0.32 0.38 0.24 1.49 -2.23 0.00 0.00 178.31 178.51 3fa6 h GLU 16 N 0.37 1.12 -0.66 1.11 4.81 -1.97 -1.02 114.58 118.34 3fa6 h GLU 16 Ca 0.11 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3fa6 h GLU 16 Cb 0.10 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3fa6 h GLU 16 CO -0.01 0.95 0.42 1.49 -0.73 0.00 0.00 179.01 181.12 3fa6 h GLU 17 N 1.08 0.81 -0.31 1.92 4.81 -1.92 -0.23 114.58 120.74 3fa6 h GLU 17 Ca 0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3fa6 h GLU 17 Cb 0.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3fa6 h GLU 17 CO -0.01 0.53 0.16 1.25 -0.73 0.00 0.00 179.01 180.21 3fa6 h LEU 18 N 0.83 0.41 -0.88 1.64 5.85 -0.67 -1.76 115.31 120.74 3fa6 h LEU 18 Ca 0.26 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3fa6 h LEU 18 Cb -0.02 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3fa6 h LEU 18 CO -0.09 0.41 0.57 -0.07 -0.34 0.00 0.00 178.44 178.91 3fa6 h LEU 19 N 0.38 0.95 -0.34 2.25 3.38 -0.75 -2.06 115.31 119.11 3fa6 h LEU 19 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3fa6 h LEU 19 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3fa6 h LEU 19 CO -0.01 0.65 0.15 0.50 0.09 0.00 0.00 178.44 179.82 3fa6 h LYS 20 N 1.11 0.49 0.00 1.13 3.64 -0.80 -1.25 116.57 120.89 3fa6 h LYS 20 Ca 0.35 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3fa6 h LYS 20 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3fa6 h LYS 20 CO -0.11 0.46 -0.17 -0.39 -2.27 0.00 0.00 179.45 176.97 3fa6 h VAL 21 N 0.41 0.63 -0.00 2.00 -1.51 -1.00 0.51 116.25 117.28 3fa6 h VAL 21 Ca 0.11 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3fa6 h VAL 21 Cb 0.14 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3fa6 h VAL 21 CO -0.01 0.17 -0.00 0.18 -1.23 0.00 0.00 177.57 176.68 3fa6 n LEU 22 N -3.61 0.08 0.00 4.19 4.77 -0.80 -4.88 117.00 116.75 3fa6 n LEU 22 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3fa6 n LEU 22 Cb 0.31 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3fa6 n LEU 22 CO 0.32 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3fa6 n GLY 23 N 1.05 0.44 3.71 -0.72 0.00 0.17 -5.00 105.19 104.83 3fa6 n GLY 23 Ca 0.23 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3fa6 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa6 s VAL 24 N -2.00 3.22 0.85 1.61 1.01 -0.52 -4.98 120.40 119.59 3fa6 s VAL 24 Ca 0.00 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 3fa6 s VAL 24 Cb 0.00 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.93 3fa6 s VAL 24 CO 0.00 0.06 1.09 0.54 0.00 0.00 0.00 175.10 176.80 3fa6 s ASN 25 N 1.16 3.86 0.18 3.32 2.20 -1.26 -4.63 114.94 119.77 3fa6 s ASN 25 Ca 0.65 1.67 -0.13 0.00 -0.94 0.00 0.00 52.86 54.12 3fa6 s ASN 25 Cb -0.38 -2.35 0.12 0.00 -2.00 0.00 0.00 41.25 36.64 3fa6 s ASN 25 CO 0.30 -2.42 1.82 0.58 -2.94 0.00 0.00 177.10 174.44 3fa6 h VAL 26 N -1.40 1.07 0.00 3.54 2.07 -1.99 0.01 116.25 119.55 3fa6 h VAL 26 Ca -0.47 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.68 3fa6 h VAL 26 Cb 1.26 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3fa6 h VAL 26 CO 0.52 0.12 -0.67 0.24 0.02 0.00 0.00 177.57 177.81 3fa6 h MET 27 N 0.67 0.00 -0.51 1.57 2.86 -2.00 -1.55 114.93 115.98 3fa6 h MET 27 Ca 0.22 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3fa6 h MET 27 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3fa6 h MET 27 CO -0.09 0.67 0.01 -0.07 1.06 0.00 0.00 176.91 178.49 3fa6 h LEU 28 N 0.00 0.86 -0.94 1.22 3.38 -1.87 -2.62 115.31 115.34 3fa6 h LEU 28 Ca -0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3fa6 h LEU 28 Cb 1.42 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 3fa6 h LEU 28 CO 0.09 0.95 0.51 0.03 0.09 0.00 0.00 178.44 180.11 3fa6 h ARG 29 N 0.75 1.25 -0.35 1.13 3.08 -0.71 -0.57 114.38 118.96 3fa6 h ARG 29 Ca 0.15 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3fa6 h ARG 29 Cb 0.50 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3fa6 h ARG 29 CO 0.02 0.90 0.21 0.87 -1.07 0.00 0.00 179.97 180.91 3fa6 h LYS 30 N 1.26 0.42 -0.56 0.04 1.79 -1.18 -1.36 116.57 116.99 3fa6 h LYS 30 Ca 0.32 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3fa6 h LYS 30 Cb 0.00 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3fa6 h LYS 30 CO -0.05 0.28 0.34 0.82 -1.08 0.00 0.00 179.45 179.75 3fa6 h ILE 31 N 0.43 1.17 -0.17 1.86 2.04 -1.21 -2.81 117.51 118.81 3fa6 h ILE 31 Ca 0.14 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3fa6 h ILE 31 Cb -0.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3fa6 h ILE 31 CO -0.06 0.17 -0.21 0.00 0.00 0.00 0.00 178.15 178.05 3fa6 h ALA 32 N 1.17 1.33 -0.02 1.87 0.00 -0.33 -2.93 119.26 120.36 3fa6 h ALA 32 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fa6 h ALA 32 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fa6 h ALA 32 CO -0.04 0.45 -0.18 1.33 0.00 0.00 0.00 179.25 180.81 3fa6 n VAL 33 N -4.19 0.00 -1.45 0.00 0.24 -0.59 -4.76 118.33 107.59 3fa6 n VAL 33 Ca -0.01 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 3fa6 n VAL 33 Cb 0.34 0.90 0.23 0.00 -1.47 0.00 0.00 33.84 33.84 3fa6 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fa6 s ALA 34 N -2.24 1.29 0.13 2.33 0.00 -1.07 -4.97 121.76 117.22 3fa6 s ALA 34 Ca 0.27 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3fa6 s ALA 34 Cb 0.20 -2.81 -0.13 0.00 0.00 0.00 0.00 23.12 20.38 3fa6 s ALA 34 CO 0.43 -3.17 1.28 0.00 0.00 0.00 0.00 175.76 174.30 3fa6 h ALA 35 N -2.25 0.34 0.00 0.00 0.00 -1.92 -3.08 119.26 112.36 3fa6 h ALA 35 Ca -0.44 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3fa6 h ALA 35 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fa6 h ALA 35 CO 0.32 0.93 0.00 0.00 0.00 0.00 0.00 179.25 180.50 3fa6 n ALA 36 N -2.50 1.55 -0.11 0.00 0.00 -1.26 -1.49 120.51 116.71 3fa6 n ALA 36 Ca -0.06 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.38 3fa6 n ALA 36 Cb 0.89 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 19.27 3fa6 n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fa6 n SER 37 N -1.39 2.60 -4.67 0.00 7.64 -1.16 -1.73 113.62 114.91 3fa6 n SER 37 Ca 0.04 -2.00 -0.47 0.00 1.01 0.00 0.00 58.87 57.45 3fa6 n SER 37 Cb 0.10 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 3fa6 n SER 37 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3fa6 n LYS 38 N 0.17 2.17 -3.13 1.43 4.81 -0.56 -4.89 118.16 118.16 3fa6 n LYS 38 Ca 0.08 0.79 -0.39 0.00 -0.87 0.00 0.00 58.31 57.91 3fa6 n LYS 38 Cb 0.36 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.77 3fa6 n LYS 38 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3fa6 s PRO 39 N 2.31 4.38 -0.14 1.64 0.04 -1.26 -4.56 135.00 137.40 3fa6 s PRO 39 Ca 0.85 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 3fa6 s PRO 39 Cb -0.68 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 3fa6 s PRO 39 CO 0.44 0.30 0.04 0.00 0.04 0.00 0.00 177.00 177.82 3fa6 s ALA 40 N -0.00 3.37 -0.16 8.56 0.00 -0.15 -4.18 121.76 129.20 3fa6 s ALA 40 Ca 0.34 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3fa6 s ALA 40 Cb -0.19 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.20 3fa6 s ALA 40 CO 0.19 0.35 -0.21 0.08 0.00 0.00 0.00 175.76 176.17 3fa6 s VAL 41 N -0.14 2.10 -0.20 0.00 1.01 -0.61 -0.50 120.40 122.06 3fa6 s VAL 41 Ca 0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3fa6 s VAL 41 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 3fa6 s VAL 41 CO 0.02 0.54 -0.02 -0.70 0.00 0.00 0.00 175.10 174.93 3fa6 s GLU 42 N 1.02 3.54 -0.06 2.72 2.12 0.35 0.38 118.70 128.77 3fa6 s GLU 42 Ca -0.02 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.80 3fa6 s GLU 42 Cb -0.14 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 3fa6 s GLU 42 CO -0.06 -0.01 -0.21 0.42 -0.54 0.00 0.00 175.26 174.86 3fa6 s ILE 43 N 1.03 2.47 -0.15 -3.70 1.01 -0.32 -0.49 121.20 121.05 3fa6 s ILE 43 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3fa6 s ILE 43 Cb -0.14 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.41 3fa6 s ILE 43 CO 0.01 0.57 -0.17 -0.75 0.00 0.00 0.00 174.94 174.60 3fa6 s LYS 44 N -0.34 2.57 -0.11 2.79 2.47 0.17 -0.85 119.74 126.44 3fa6 s LYS 44 Ca 0.02 -0.67 0.02 0.00 -1.56 0.00 0.00 55.97 53.78 3fa6 s LYS 44 Cb -0.12 -2.24 -0.01 0.00 -1.46 0.00 0.00 37.83 33.99 3fa6 s LYS 44 CO 0.02 -0.17 -0.17 -1.14 0.16 0.00 0.00 175.35 174.05 3fa6 s GLN 45 N 1.26 3.12 -0.25 4.03 0.74 -1.26 -1.03 119.66 126.28 3fa6 s GLN 45 Ca 0.02 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 3fa6 s GLN 45 Cb -0.14 -2.48 0.07 0.00 1.10 0.00 0.00 33.01 31.57 3fa6 s GLN 45 CO -0.09 0.27 0.04 -1.21 -0.55 0.00 0.00 175.29 173.76 3fa6 s GLU 46 N 0.16 0.86 7.69 1.67 0.41 -0.17 -4.79 118.70 124.54 3fa6 s GLU 46 Ca -0.09 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 3fa6 s GLU 46 Cb -0.15 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 3fa6 s GLU 46 CO 0.06 -0.76 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 3fa6 n GLY 47 N 4.90 3.13 0.54 -1.39 0.00 -1.26 -1.22 105.19 109.89 3fa6 n GLY 47 Ca -0.07 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3fa6 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa6 n ASP 48 N 5.52 1.67 -4.82 1.61 8.00 -1.26 -4.90 116.55 122.37 3fa6 n ASP 48 Ca 0.00 -1.58 -0.38 0.00 0.71 0.00 0.00 54.79 53.54 3fa6 n ASP 48 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3fa6 n ASP 48 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fa6 s THR 49 N -1.96 4.97 0.05 -3.53 -4.23 -0.35 -0.45 115.64 110.13 3fa6 s THR 49 Ca 0.36 0.94 0.04 0.00 -1.18 0.00 0.00 61.69 61.86 3fa6 s THR 49 Cb 0.20 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 3fa6 s THR 49 CO 0.32 0.55 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.46 3fa6 s PHE 50 N -0.92 1.11 -0.03 3.99 0.40 0.65 -1.00 117.98 122.18 3fa6 s PHE 50 Ca 0.25 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3fa6 s PHE 50 Cb -0.17 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 42.72 3fa6 s PHE 50 CO 0.14 0.03 -0.08 -0.47 0.70 0.00 0.00 175.22 175.54 3fa6 s TYR 51 N -1.03 0.92 -0.05 0.36 5.04 -0.20 -1.48 117.35 120.92 3fa6 s TYR 51 Ca -0.01 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 3fa6 s TYR 51 Cb -0.09 -0.69 0.02 0.00 0.35 0.00 0.00 41.96 41.56 3fa6 s TYR 51 CO 0.01 -0.13 -0.05 0.42 -1.34 0.00 0.00 175.55 174.47 3fa6 s ILE 52 N 0.36 0.59 -0.08 3.14 1.01 0.02 -0.66 121.20 125.58 3fa6 s ILE 52 Ca -0.06 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.50 3fa6 s ILE 52 Cb -0.10 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 3fa6 s ILE 52 CO 0.01 0.24 -0.22 -0.75 0.00 0.00 0.00 174.94 174.22 3fa6 s LYS 53 N 0.99 2.60 -0.17 2.79 2.20 0.36 -1.37 119.74 127.14 3fa6 s LYS 53 Ca -0.10 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.70 3fa6 s LYS 53 Cb -0.14 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 3fa6 s LYS 53 CO -0.00 0.23 -0.12 0.08 -0.36 0.00 0.00 175.35 175.18 3fa6 s VAL 54 N 0.19 2.91 -0.10 4.02 1.01 -0.04 -0.50 120.40 127.90 3fa6 s VAL 54 Ca -0.12 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3fa6 s VAL 54 Cb -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3fa6 s VAL 54 CO 0.06 0.50 -0.18 -0.44 0.00 0.00 0.00 175.10 175.03 3fa6 s SER 55 N 0.90 3.60 0.38 3.32 0.01 0.35 -0.79 113.70 121.47 3fa6 s SER 55 Ca -0.03 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.87 3fa6 s SER 55 Cb -0.15 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.75 3fa6 s SER 55 CO -0.01 0.20 0.17 0.35 0.41 0.00 0.00 173.24 174.36 3fa6 n THR 56 N 3.25 0.00 0.29 1.44 -2.24 0.18 -0.98 114.28 116.23 3fa6 n THR 56 Ca -0.18 -2.32 0.16 0.00 -2.27 0.00 0.00 64.05 59.44 3fa6 n THR 56 Cb 0.53 0.90 0.60 0.00 -2.10 0.00 0.00 70.33 70.25 3fa6 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fa6 h THR 57 N 1.73 0.00 0.00 4.28 1.35 -1.60 -3.30 112.91 115.37 3fa6 h THR 57 Ca -0.29 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3fa6 h THR 57 Cb 1.17 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3fa6 h THR 57 CO 0.46 0.00 -1.72 1.33 -0.25 0.00 0.00 175.52 175.33 3fa6 n VAL 58 N -2.97 0.00 -3.50 6.82 0.24 -1.22 -5.05 118.33 112.65 3fa6 n VAL 58 Ca 0.01 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3fa6 n VAL 58 Cb 0.33 0.16 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 3fa6 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3fa6 s ARG 59 N -3.14 1.14 -0.05 7.34 3.52 -1.24 -5.15 118.95 121.36 3fa6 s ARG 59 Ca -0.06 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3fa6 s ARG 59 Cb 0.11 0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 34.01 3fa6 s ARG 59 CO 0.70 -0.44 -0.25 0.99 -0.81 0.00 0.00 175.30 175.49 3fa6 s THR 60 N -2.74 2.07 0.09 4.11 2.01 -1.26 -0.65 115.64 119.28 3fa6 s THR 60 Ca -0.04 -1.07 0.10 0.00 0.31 0.00 0.00 61.69 60.99 3fa6 s THR 60 Cb -0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3fa6 s THR 60 CO -0.04 0.57 -0.24 0.28 -0.69 0.00 0.00 174.62 174.50 3fa6 s THR 61 N -0.24 2.37 0.01 -0.82 -1.32 0.03 -4.98 115.64 110.69 3fa6 s THR 61 Ca -0.01 -1.55 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 3fa6 s THR 61 Cb -0.13 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.83 3fa6 s THR 61 CO 0.03 0.20 -0.05 -1.61 -2.21 0.00 0.00 174.62 170.97 3fa6 s GLU 62 N -1.77 0.42 -0.00 7.08 2.02 -1.26 -0.86 118.70 124.33 3fa6 s GLU 62 Ca 0.14 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.73 3fa6 s GLU 62 Cb -0.10 -0.35 0.01 0.00 0.10 0.00 0.00 34.13 33.78 3fa6 s GLU 62 CO 0.05 0.09 0.21 -1.50 0.02 0.00 0.00 175.26 174.13 3fa6 s ILE 63 N -0.38 0.07 0.08 -1.63 1.10 -0.47 -5.01 121.20 114.97 3fa6 s ILE 63 Ca -0.01 -0.62 0.02 0.00 -0.51 0.00 0.00 60.65 59.54 3fa6 s ILE 63 Cb -0.04 -0.52 -0.04 0.00 0.15 0.00 0.00 42.46 42.02 3fa6 s ILE 63 CO -0.00 -0.34 -0.08 0.54 -2.11 0.00 0.00 174.94 172.95 3fa6 s ASN 64 N -1.40 1.15 0.22 4.50 2.20 -1.26 -0.80 114.94 119.54 3fa6 s ASN 64 Ca -0.14 -0.83 -0.23 0.00 -0.94 0.00 0.00 52.86 50.73 3fa6 s ASN 64 Cb -0.06 0.05 0.05 0.00 -2.00 0.00 0.00 41.25 39.29 3fa6 s ASN 64 CO 0.02 -0.34 0.86 0.72 -2.94 0.00 0.00 177.10 175.43 3fa6 s PHE 65 N -2.67 -0.13 -0.05 1.54 -0.12 -0.55 -4.97 117.98 111.03 3fa6 s PHE 65 Ca 0.04 -0.25 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3fa6 s PHE 65 Cb -0.01 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 3fa6 s PHE 65 CO -0.02 -1.03 -0.17 0.21 -0.05 0.00 0.00 175.22 174.16 3fa6 s LYS 66 N -3.45 1.80 0.26 1.99 2.20 -1.26 -0.25 119.74 121.02 3fa6 s LYS 66 Ca 0.12 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.82 3fa6 s LYS 66 Cb -0.03 -1.55 -0.12 0.00 -1.51 0.00 0.00 37.83 34.61 3fa6 s LYS 66 CO 0.05 0.23 1.62 0.28 -0.36 0.00 0.00 175.35 177.16 3fa6 n VAL 67 N 3.20 0.65 -0.07 4.02 0.31 0.40 -2.28 118.33 124.56 3fa6 n VAL 67 Ca -0.18 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3fa6 n VAL 67 Cb 0.53 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3fa6 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fa6 n GLY 68 N 2.77 1.03 3.27 2.92 0.00 0.11 -4.98 105.19 110.31 3fa6 n GLY 68 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3fa6 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa6 s GLU 69 N -0.63 3.19 0.46 1.61 2.02 -0.96 -4.99 118.70 119.39 3fa6 s GLU 69 Ca 0.00 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 53.96 3fa6 s GLU 69 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 3fa6 s GLU 69 CO 0.00 0.08 1.43 -1.91 0.02 0.00 0.00 175.26 174.88 3fa6 n GLU 70 N 3.85 2.23 -4.17 1.61 2.13 -1.26 -4.62 120.64 120.42 3fa6 n GLU 70 Ca -0.19 0.80 -0.16 0.00 0.66 0.00 0.00 57.16 58.27 3fa6 n GLU 70 Cb 0.52 -2.63 -0.06 0.00 0.27 0.00 0.00 31.44 29.54 3fa6 n GLU 70 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 3fa6 s PHE 71 N -1.20 1.31 0.02 4.31 -0.71 -0.28 -4.98 117.98 116.46 3fa6 s PHE 71 Ca 0.62 -1.42 0.08 0.00 -1.04 0.00 0.00 56.93 55.16 3fa6 s PHE 71 Cb -0.45 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.98 3fa6 s PHE 71 CO 0.57 -0.99 -0.23 -2.00 -1.34 0.00 0.00 175.22 171.23 3fa6 s GLU 72 N -3.32 2.01 0.00 1.99 2.12 -1.26 -0.69 118.70 119.55 3fa6 s GLU 72 Ca 0.35 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.68 3fa6 s GLU 72 Cb 0.01 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.32 3fa6 s GLU 72 CO 0.22 0.54 0.00 -0.85 -0.54 0.00 0.00 175.26 174.63 3fa6 n GLU 73 N 1.92 0.00 -4.35 4.30 0.28 -0.64 -4.95 120.64 117.20 3fa6 n GLU 73 Ca -0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.55 3fa6 n GLU 73 Cb 0.52 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.27 3fa6 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fa6 s GLN 74 N -0.89 1.67 1.14 3.44 -0.21 -1.26 -1.17 119.66 122.37 3fa6 s GLN 74 Ca 0.00 -1.30 -0.13 0.00 0.02 0.00 0.00 55.36 53.95 3fa6 s GLN 74 Cb 0.00 -2.01 0.27 0.00 1.00 0.00 0.00 33.01 32.26 3fa6 s GLN 74 CO 0.00 0.45 1.04 0.95 -2.12 0.00 0.00 175.29 175.61 3fa6 s THR 75 N -1.29 1.96 0.35 -0.19 -4.23 0.70 -4.82 115.64 108.13 3fa6 s THR 75 Ca 0.18 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 3fa6 s THR 75 Cb -0.10 -2.20 0.30 0.00 1.34 0.00 0.00 72.50 71.85 3fa6 s THR 75 CO 0.10 0.00 1.92 -0.37 -0.54 0.00 0.00 174.62 175.73 3fa6 h VAL 76 N -2.49 0.97 -0.15 2.29 -1.51 -1.99 -0.03 116.25 113.33 3fa6 h VAL 76 Ca -0.60 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3fa6 h VAL 76 Cb 1.34 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3fa6 h VAL 76 CO 0.52 0.14 0.00 -0.90 -1.23 0.00 0.00 177.57 176.10 3fa6 n ASP 77 N -4.50 1.35 0.00 4.19 5.75 -1.26 -4.93 116.55 117.15 3fa6 n ASP 77 Ca 0.13 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3fa6 n ASP 77 Cb 0.30 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3fa6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa6 n GLY 78 N 1.05 0.94 3.80 6.12 0.00 -0.03 -5.07 105.19 112.00 3fa6 n GLY 78 Ca 0.15 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3fa6 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fa6 s ARG 79 N -0.26 3.90 0.35 1.61 0.52 -1.26 -4.79 118.95 119.02 3fa6 s ARG 79 Ca 0.00 0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.94 3fa6 s ARG 79 Cb 0.00 -3.31 -0.11 0.00 0.52 0.00 0.00 34.95 32.05 3fa6 s ARG 79 CO 0.00 0.52 1.54 -2.30 0.02 0.00 0.00 175.30 175.08 3fa6 n PRO 80 N 2.71 2.72 -4.01 3.54 -0.02 -1.26 -0.21 135.00 138.46 3fa6 n PRO 80 Ca -0.16 0.96 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 3fa6 n PRO 80 Cb 0.53 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 3fa6 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fa6 s LYS 82 N -3.27 4.09 0.12 0.00 -0.14 0.15 -1.62 119.74 119.07 3fa6 s LYS 82 Ca 0.01 0.34 0.07 0.00 -1.36 0.00 0.00 55.97 55.03 3fa6 s LYS 82 Cb 0.03 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 3fa6 s LYS 82 CO -0.08 0.45 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.67 3fa6 s SER 83 N -0.28 2.32 -0.13 2.83 0.01 0.14 -0.61 113.70 117.97 3fa6 s SER 83 Ca 0.22 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.67 3fa6 s SER 83 Cb -0.15 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.03 3fa6 s SER 83 CO 0.10 -0.04 0.28 -0.22 0.41 0.00 0.00 173.24 173.77 3fa6 s LEU 84 N -2.27 -0.20 -0.12 2.44 2.96 -0.61 -1.12 118.68 119.75 3fa6 s LEU 84 Ca 0.09 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.54 3fa6 s LEU 84 Cb -0.07 0.78 -0.04 0.00 0.50 0.00 0.00 46.19 47.35 3fa6 s LEU 84 CO 0.04 -0.23 0.18 -0.69 -1.32 0.00 0.00 176.35 174.34 3fa6 s VAL 85 N 2.21 5.42 0.08 1.68 1.01 -1.26 -1.51 120.40 128.03 3fa6 s VAL 85 Ca -0.01 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.32 3fa6 s VAL 85 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3fa6 s VAL 85 CO -0.09 0.57 -0.14 -0.54 0.00 0.00 0.00 175.10 174.91 3fa6 s LYS 86 N -0.72 0.86 -0.16 2.72 1.02 -0.31 -0.71 119.74 122.43 3fa6 s LYS 86 Ca 0.15 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3fa6 s LYS 86 Cb -0.12 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 3fa6 s LYS 86 CO 0.04 0.17 1.25 -1.58 -0.92 0.00 0.00 175.35 174.30 3fa6 s TRP 87 N -1.60 2.90 -0.12 3.18 0.52 -1.26 -0.89 118.94 121.67 3fa6 s TRP 87 Ca 0.01 1.05 0.15 0.00 0.02 0.00 0.00 56.10 57.33 3fa6 s TRP 87 Cb -0.08 -3.48 -0.07 0.00 -1.15 0.00 0.00 33.47 28.68 3fa6 s TRP 87 CO 0.02 -1.61 1.06 1.49 0.02 0.00 0.00 176.95 177.94 3fa6 h GLU 88 N 8.11 0.00 -2.88 4.98 4.81 -1.36 -3.48 114.58 124.75 3fa6 h GLU 88 Ca -0.27 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3fa6 h GLU 88 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3fa6 h GLU 88 CO 0.96 0.41 0.36 -1.54 -0.73 0.00 0.00 179.01 178.48 3fa6 s SER 89 N -6.08 0.01 0.34 1.04 1.04 -1.04 -4.99 113.70 104.01 3fa6 s SER 89 Ca -0.00 -1.04 0.10 0.00 0.48 0.00 0.00 55.95 55.49 3fa6 s SER 89 Cb 0.08 0.76 0.85 0.00 0.10 0.00 0.00 66.02 67.82 3fa6 s SER 89 CO 0.79 -1.52 1.78 -0.08 0.98 0.00 0.00 173.24 175.20 3fa6 h GLU 90 N 2.00 0.63 -0.34 4.02 4.81 -2.02 -2.79 114.58 120.89 3fa6 h GLU 90 Ca -0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3fa6 h GLU 90 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3fa6 h GLU 90 CO 0.40 0.41 0.00 0.09 -0.73 0.00 0.00 179.01 179.18 3fa6 n ASN 91 N -4.71 3.15 -3.70 1.04 3.02 -1.26 -4.57 115.26 108.22 3fa6 n ASN 91 Ca 0.23 -2.21 -0.13 0.00 -0.03 0.00 0.00 54.58 52.45 3fa6 n ASN 91 Cb 0.65 -0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 39.39 3fa6 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fa6 s LYS 92 N -1.38 0.19 0.04 3.52 2.20 -1.05 -0.58 119.74 122.69 3fa6 s LYS 92 Ca 0.27 0.62 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 3fa6 s LYS 92 Cb 0.17 -0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 3fa6 s LYS 92 CO 0.15 -0.21 -0.13 0.00 -0.36 0.00 0.00 175.35 174.80 3fa6 s MET 93 N 1.68 2.21 -0.05 4.03 0.23 -0.33 -0.90 119.30 126.17 3fa6 s MET 93 Ca -0.06 -0.92 0.02 0.00 -1.03 0.00 0.00 55.69 53.71 3fa6 s MET 93 Cb -0.11 -2.30 0.01 0.00 -1.53 0.00 0.00 34.83 30.90 3fa6 s MET 93 CO -0.09 0.55 -0.11 0.08 -2.03 0.00 0.00 175.02 173.42 3fa6 s VAL 94 N -1.01 0.99 -0.20 5.16 1.01 -0.07 -1.68 120.40 124.60 3fa6 s VAL 94 Ca 0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3fa6 s VAL 94 Cb -0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3fa6 s VAL 94 CO 0.08 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.41 3fa6 s GLU 96 N 1.29 3.78 -0.00 0.00 -1.05 -0.57 -2.50 118.70 119.64 3fa6 s GLU 96 Ca 0.03 0.22 0.04 0.00 -0.15 0.00 0.00 54.97 55.11 3fa6 s GLU 96 Cb -0.14 -3.09 -0.01 0.00 -0.44 0.00 0.00 34.13 30.45 3fa6 s GLU 96 CO -0.03 0.62 -0.13 -0.65 0.95 0.00 0.00 175.26 176.02 3fa6 s GLN 97 N -1.58 1.02 -0.08 -4.83 -0.21 -1.24 -1.58 119.66 111.17 3fa6 s GLN 97 Ca 0.29 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.16 3fa6 s GLN 97 Cb -0.15 -1.00 0.02 0.00 1.00 0.00 0.00 33.01 32.89 3fa6 s GLN 97 CO 0.16 0.27 -0.10 0.15 -2.12 0.00 0.00 175.29 173.65 3fa6 s LYS 98 N -0.47 1.55 0.43 2.91 1.02 0.22 -4.61 119.74 120.78 3fa6 s LYS 98 Ca 0.04 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 3fa6 s LYS 98 Cb -0.06 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.73 3fa6 s LYS 98 CO -0.00 -0.11 1.45 1.28 -0.92 0.00 0.00 175.35 177.05 3fa6 n LEU 99 N 4.32 5.02 0.09 3.17 4.77 -1.26 -0.67 117.00 132.43 3fa6 n LEU 99 Ca -0.19 1.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.83 3fa6 n LEU 99 Cb 0.51 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.92 3fa6 n LEU 99 CO 0.21 -0.06 0.14 -0.07 -1.33 0.00 0.00 177.39 176.28 3fa6 h LEU 100 N 2.50 0.32 -7.77 2.23 3.38 -1.75 -3.46 115.31 110.77 3fa6 h LEU 100 Ca -0.51 -0.30 -0.31 0.00 0.09 0.00 0.00 57.88 56.86 3fa6 h LEU 100 Cb 1.26 -0.10 -0.30 0.00 0.09 0.00 0.00 40.66 41.61 3fa6 h LEU 100 CO 0.62 1.15 -0.74 -0.54 0.09 0.00 0.00 178.44 179.01 3fa6 s LYS 101 N -2.99 0.30 1.73 1.13 1.02 -1.26 -5.11 119.74 114.57 3fa6 s LYS 101 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.90 3fa6 s LYS 101 Cb 0.09 -0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 3fa6 s LYS 101 CO 0.85 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.69 3fa6 n GLY 102 N 3.39 -1.55 3.37 -3.33 0.00 -1.26 -4.96 105.19 100.85 3fa6 n GLY 102 Ca -0.18 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 3fa6 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa6 s GLU 103 N 0.00 1.40 -0.04 1.61 0.41 -1.26 -4.89 118.70 115.94 3fa6 s GLU 103 Ca 0.00 -1.66 -0.25 0.00 -0.41 0.00 0.00 54.97 52.65 3fa6 s GLU 103 Cb 0.00 -1.11 0.08 0.00 -1.78 0.00 0.00 34.13 31.32 3fa6 s GLU 103 CO 0.00 0.12 1.14 0.41 -0.49 0.00 0.00 175.26 176.45 3fa6 n GLY 104 N -0.45 0.22 3.75 -1.39 0.00 -1.26 -5.13 105.19 100.93 3fa6 n GLY 104 Ca -0.07 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3fa6 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fa6 s PRO 105 N -2.01 2.82 0.02 1.61 0.04 -1.26 -4.92 135.00 131.31 3fa6 s PRO 105 Ca 0.27 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3fa6 s PRO 105 Cb -0.00 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3fa6 s PRO 105 CO -0.01 -1.29 1.50 0.21 0.04 0.00 0.00 177.00 177.45 3fa6 s LYS 106 N -3.60 4.25 0.14 4.56 2.20 -1.26 -4.71 119.74 121.31 3fa6 s LYS 106 Ca 0.74 2.11 0.10 0.00 -0.36 0.00 0.00 55.97 58.56 3fa6 s LYS 106 Cb -0.27 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 3fa6 s LYS 106 CO 0.36 -0.64 -0.21 0.95 -0.36 0.00 0.00 175.35 175.45 3fa6 s THR 107 N 2.54 2.61 0.24 3.43 -4.23 -1.26 -0.53 115.64 118.44 3fa6 s THR 107 Ca 0.68 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 3fa6 s THR 107 Cb -0.35 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.30 3fa6 s THR 107 CO 0.29 0.04 0.55 -0.94 -0.54 0.00 0.00 174.62 174.02 3fa6 s SER 108 N -2.27 -0.18 0.05 3.99 1.04 -1.08 -3.59 113.70 111.65 3fa6 s SER 108 Ca 0.18 -0.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.83 3fa6 s SER 108 Cb -0.10 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3fa6 s SER 108 CO 0.09 -1.16 0.14 -1.66 0.98 0.00 0.00 173.24 171.63 3fa6 s TRP 109 N -3.95 0.16 0.02 5.02 1.48 -1.04 -1.57 118.94 119.06 3fa6 s TRP 109 Ca 0.15 -0.46 0.01 0.00 -1.06 0.00 0.00 56.10 54.74 3fa6 s TRP 109 Cb -0.02 -0.10 -0.02 0.00 -1.16 0.00 0.00 33.47 32.17 3fa6 s TRP 109 CO 0.05 -0.41 -0.05 0.99 -4.06 0.00 0.00 176.95 173.46 3fa6 s THR 110 N -2.83 0.32 -0.06 0.66 2.01 0.31 -0.32 115.64 115.71 3fa6 s THR 110 Ca -0.03 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3fa6 s THR 110 Cb 0.00 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.14 3fa6 s THR 110 CO -0.05 -0.27 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.70 3fa6 s LEU 111 N -1.06 1.73 -0.01 4.42 1.43 -0.68 -0.98 118.68 123.54 3fa6 s LEU 111 Ca -0.08 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3fa6 s LEU 111 Cb -0.07 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3fa6 s LEU 111 CO -0.00 0.06 -0.08 -0.70 0.23 0.00 0.00 176.35 175.86 3fa6 s GLU 112 N 0.53 0.66 -0.21 1.70 2.12 -0.27 -1.19 118.70 122.04 3fa6 s GLU 112 Ca -0.13 -0.30 -0.09 0.00 0.36 0.00 0.00 54.97 54.81 3fa6 s GLU 112 Cb -0.15 -0.64 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 3fa6 s GLU 112 CO 0.04 0.17 0.10 -0.51 -0.54 0.00 0.00 175.26 174.53 3fa6 s LEU 113 N -0.22 3.88 0.64 2.70 1.43 0.26 -0.75 118.68 126.62 3fa6 s LEU 113 Ca 0.03 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3fa6 s LEU 113 Cb -0.03 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.25 3fa6 s LEU 113 CO -0.00 0.10 0.89 0.42 0.23 0.00 0.00 176.35 177.99 3fa6 s THR 114 N 0.82 2.38 -0.90 5.49 -4.23 -0.32 -4.85 115.64 114.03 3fa6 s THR 114 Ca 0.05 -0.62 0.28 0.00 -1.18 0.00 0.00 61.69 60.22 3fa6 s THR 114 Cb -0.13 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.20 3fa6 s THR 114 CO 0.02 0.00 1.86 -3.20 -0.54 0.00 0.00 174.62 172.77 3fa6 n ASN 115 N -2.61 0.30 -1.34 3.99 2.85 -1.26 -3.00 115.26 114.19 3fa6 n ASN 115 Ca 0.11 0.53 0.06 0.00 -0.11 0.00 0.00 54.58 55.17 3fa6 n ASN 115 Cb 0.60 -0.61 0.27 0.00 1.24 0.00 0.00 39.78 41.28 3fa6 n ASN 115 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3fa6 n ASP 116 N -1.79 3.91 -0.23 1.20 8.00 -1.26 -4.92 116.55 121.46 3fa6 n ASP 116 Ca 0.06 -2.48 -0.03 0.00 0.71 0.00 0.00 54.79 53.05 3fa6 n ASP 116 Cb 0.37 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 3fa6 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa6 n GLY 117 N 0.66 0.62 3.92 0.44 0.00 -1.16 -5.04 105.19 104.61 3fa6 n GLY 117 Ca 0.19 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3fa6 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa6 s GLU 118 N -2.08 3.53 -0.21 1.61 2.02 -1.26 -4.33 118.70 117.98 3fa6 s GLU 118 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 3fa6 s GLU 118 Cb 0.00 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 3fa6 s GLU 118 CO 0.00 0.45 -0.04 -1.17 0.02 0.00 0.00 175.26 174.52 3fa6 s LEU 119 N -3.05 2.94 -0.22 1.80 2.96 -0.13 -1.17 118.68 121.81 3fa6 s LEU 119 Ca 0.39 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3fa6 s LEU 119 Cb -0.12 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3fa6 s LEU 119 CO 0.28 0.00 0.00 -0.63 -1.32 0.00 0.00 176.35 174.69 3fa6 s ILE 120 N 1.33 3.86 -0.26 6.68 1.01 0.07 -0.66 121.20 133.23 3fa6 s ILE 120 Ca 0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 3fa6 s ILE 120 Cb -0.14 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3fa6 s ILE 120 CO -0.02 0.40 0.06 -0.62 0.00 0.00 0.00 174.94 174.76 3fa6 s ASP 121 N 1.30 5.01 -0.13 3.58 2.15 0.23 -1.12 116.67 127.70 3fa6 s ASP 121 Ca 0.04 -0.35 -0.00 0.00 0.43 0.00 0.00 52.55 52.67 3fa6 s ASP 121 Cb -0.15 -1.89 -0.01 0.00 -0.30 0.00 0.00 42.92 40.57 3fa6 s ASP 121 CO 0.01 -0.07 -0.13 -0.89 -0.17 0.00 0.00 175.17 173.92 3fa6 s THR 122 N 1.57 3.05 -0.06 1.71 2.01 -0.16 -0.57 115.64 123.20 3fa6 s THR 122 Ca 0.05 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3fa6 s THR 122 Cb -0.15 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.07 3fa6 s THR 122 CO 0.02 0.52 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.25 3fa6 s MET 123 N 0.38 2.08 0.11 4.92 -1.94 0.40 -0.53 119.30 124.71 3fa6 s MET 123 Ca -0.11 -0.68 0.09 0.00 -1.71 0.00 0.00 55.69 53.28 3fa6 s MET 123 Cb -0.16 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.90 3fa6 s MET 123 CO 0.05 0.24 -0.21 0.99 -0.01 0.00 0.00 175.02 176.08 3fa6 s THR 124 N 0.10 1.78 -0.19 2.05 2.01 -0.61 -0.32 115.64 120.46 3fa6 s THR 124 Ca -0.07 -1.60 -0.04 0.00 0.31 0.00 0.00 61.69 60.30 3fa6 s THR 124 Cb -0.13 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.84 3fa6 s THR 124 CO 0.03 -0.06 0.20 0.00 -0.69 0.00 0.00 174.62 174.10 3fa6 s ALA 125 N -1.22 -0.17 0.00 7.40 0.00 -0.47 -2.63 121.76 124.68 3fa6 s ALA 125 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3fa6 s ALA 125 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3fa6 s ALA 125 CO 0.05 -1.18 0.00 -0.25 0.00 0.00 0.00 175.76 174.38 3fa6 n ASP 126 N 5.31 0.00 -0.54 0.00 8.00 0.31 -1.54 116.55 128.10 3fa6 n ASP 126 Ca -0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.56 3fa6 n ASP 126 Cb 0.49 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.69 3fa6 n ASP 126 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fa6 n ASP 127 N 6.59 2.02 -4.71 -2.24 8.00 -1.26 -4.89 116.55 120.06 3fa6 n ASP 127 Ca 0.00 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.58 3fa6 n ASP 127 Cb 0.00 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3fa6 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa6 s VAL 128 N -2.38 4.87 -0.18 2.53 1.01 -0.59 -5.04 120.40 120.62 3fa6 s VAL 128 Ca 0.22 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.22 3fa6 s VAL 128 Cb 0.19 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3fa6 s VAL 128 CO 0.51 0.15 -0.18 -0.69 0.00 0.00 0.00 175.10 174.89 3fa6 s VAL 129 N 1.13 2.30 -0.16 2.92 1.01 -1.26 -1.37 120.40 124.97 3fa6 s VAL 129 Ca 0.51 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3fa6 s VAL 129 Cb -0.20 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3fa6 s VAL 129 CO 0.26 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.92 3fa6 s THR 131 N 0.07 1.70 0.03 0.00 2.01 -0.56 -0.46 115.64 118.44 3fa6 s THR 131 Ca 0.04 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.30 3fa6 s THR 131 Cb -0.12 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3fa6 s THR 131 CO 0.01 0.48 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.66 3fa6 s LYS 132 N 0.37 1.61 -0.08 4.92 1.02 0.26 -0.32 119.74 127.52 3fa6 s LYS 132 Ca -0.15 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 54.95 3fa6 s LYS 132 Cb -0.16 -1.69 -0.00 0.00 -0.52 0.00 0.00 37.83 35.46 3fa6 s LYS 132 CO 0.06 0.44 -0.23 0.08 -0.92 0.00 0.00 175.35 174.79 3fa6 s VAL 133 N -0.72 1.91 0.19 3.17 1.01 -0.14 -0.60 120.40 125.23 3fa6 s VAL 133 Ca 0.09 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.20 3fa6 s VAL 133 Cb -0.09 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3fa6 s VAL 133 CO 0.01 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.10 3fa6 s PHE 134 N 0.16 1.88 0.23 5.22 0.40 0.16 -0.24 117.98 125.79 3fa6 s PHE 134 Ca -0.12 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.79 3fa6 s PHE 134 Cb -0.16 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 3fa6 s PHE 134 CO 0.06 0.39 -0.05 0.14 0.70 0.00 0.00 175.22 176.46 3fa6 s VAL 135 N -2.31 1.34 0.29 -0.44 -7.23 -0.47 -0.96 120.40 110.61 3fa6 s VAL 135 Ca 0.19 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 3fa6 s VAL 135 Cb -0.05 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3fa6 s VAL 135 CO 0.08 -0.40 1.16 -0.13 -0.31 0.00 0.00 175.10 175.50 3fa6 s ARG 136 N -3.78 4.55 0.00 4.82 0.52 -1.26 -1.07 118.95 122.74 3fa6 s ARG 136 Ca 0.27 1.92 0.09 0.00 -0.52 0.00 0.00 55.73 57.49 3fa6 s ARG 136 Cb 0.04 -3.16 0.56 0.00 0.52 0.00 0.00 34.95 32.91 3fa6 s ARG 136 CO 0.09 0.09 1.01 0.39 0.02 0.00 0.00 175.30 176.89