#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa9 s ASN 2 N 0.00 6.13 0.36 3.54 3.84 -1.26 -4.93 114.94 122.62 3fa9 s ASN 2 Ca 0.00 -0.30 0.26 0.00 0.21 0.00 0.00 52.86 53.03 3fa9 s ASN 2 Cb 0.00 -2.17 0.77 0.00 -0.55 0.00 0.00 41.25 39.30 3fa9 s ASN 2 CO 0.00 -0.29 1.75 -0.26 -2.79 0.00 0.00 177.10 175.51 3fa9 h PHE 3 N 8.47 0.00 -2.71 0.43 -1.00 -1.95 -3.47 116.94 116.70 3fa9 h PHE 3 Ca -0.31 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.88 3fa9 h PHE 3 Cb 1.15 0.00 0.11 0.00 3.61 0.00 0.00 35.95 40.82 3fa9 h PHE 3 CO 0.68 0.00 0.22 0.43 -1.61 0.00 0.00 178.31 178.03 3fa9 n SER 4 N -2.70 1.64 0.00 2.17 7.64 -1.26 -4.69 113.62 116.42 3fa9 n SER 4 Ca 0.04 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3fa9 n SER 4 Cb 0.41 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3fa9 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa9 n GLY 5 N 1.11 0.23 3.26 0.23 0.00 -0.37 -4.94 105.19 104.71 3fa9 n GLY 5 Ca 0.08 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3fa9 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fa9 s ASN 6 N -2.16 3.78 -0.15 1.61 0.01 -1.26 -0.37 114.94 116.40 3fa9 s ASN 6 Ca 0.00 -0.47 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 3fa9 s ASN 6 Cb 0.00 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 40.04 3fa9 s ASN 6 CO 0.00 0.04 -0.09 0.26 -1.51 0.00 0.00 177.10 175.80 3fa9 s TRP 7 N 1.09 2.90 -0.04 2.20 0.52 0.13 -0.99 118.94 124.75 3fa9 s TRP 7 Ca 0.00 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.59 3fa9 s TRP 7 Cb -0.14 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3fa9 s TRP 7 CO -0.04 -0.19 -0.12 -1.59 0.02 0.00 0.00 176.95 175.03 3fa9 s LYS 8 N 0.48 2.53 0.24 4.98 -2.85 0.01 -1.99 119.74 123.14 3fa9 s LYS 8 Ca -0.07 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 3fa9 s LYS 8 Cb -0.15 -2.42 -0.09 0.00 -2.06 0.00 0.00 37.83 33.11 3fa9 s LYS 8 CO 0.04 0.63 1.08 -1.50 0.10 0.00 0.00 175.35 175.69 3fa9 s ILE 9 N -0.79 3.69 -0.00 3.79 2.07 -1.26 -0.57 121.20 128.13 3fa9 s ILE 9 Ca 0.12 1.61 0.01 0.00 -1.41 0.00 0.00 60.65 60.98 3fa9 s ILE 9 Cb -0.11 -4.02 -0.02 0.00 0.13 0.00 0.00 42.46 38.44 3fa9 s ILE 9 CO 0.02 0.35 0.02 2.30 -1.91 0.00 0.00 174.94 175.71 3fa9 n ILE 10 N 1.65 0.02 -3.82 2.00 -5.35 0.13 -4.89 119.36 109.11 3fa9 n ILE 10 Ca 0.00 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 3fa9 n ILE 10 Cb 0.45 0.06 -0.10 0.00 -1.74 0.00 0.00 39.64 38.31 3fa9 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3fa9 s ARG 11 N -2.07 0.45 -0.09 6.28 1.81 -1.04 -4.99 118.95 119.30 3fa9 s ARG 11 Ca -0.01 -0.10 -0.11 0.00 -1.72 0.00 0.00 55.73 53.80 3fa9 s ARG 11 Cb 0.01 0.20 0.03 0.00 -0.45 0.00 0.00 34.95 34.73 3fa9 s ARG 11 CO 0.05 -0.10 0.29 0.45 -0.68 0.00 0.00 175.30 175.31 3fa9 s SER 12 N -0.84 -0.27 -0.14 0.23 0.15 -1.26 -1.03 113.70 110.54 3fa9 s SER 12 Ca -0.09 0.48 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 3fa9 s SER 12 Cb -0.05 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 3fa9 s SER 12 CO 0.02 -0.16 0.33 -0.70 1.20 0.00 0.00 173.24 173.93 3fa9 s GLU 13 N -0.13 0.33 -0.87 5.44 2.12 -0.20 -4.94 118.70 120.46 3fa9 s GLU 13 Ca -0.03 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.91 3fa9 s GLU 13 Cb -0.03 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.37 3fa9 s GLU 13 CO 0.01 -0.13 0.00 0.09 -0.54 0.00 0.00 175.26 174.69 3fa9 n ASN 14 N 3.85 -3.94 0.31 -1.70 3.02 -1.26 -1.24 115.26 114.29 3fa9 n ASN 14 Ca -0.21 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.37 3fa9 n ASN 14 Cb 0.55 -2.23 -0.08 0.00 -0.61 0.00 0.00 39.78 37.41 3fa9 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fa9 h PHE 15 N 0.00 -0.70 -0.10 3.10 3.57 -1.92 -1.14 116.94 119.76 3fa9 h PHE 15 Ca -0.17 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 3fa9 h PHE 15 Cb 0.57 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3fa9 h PHE 15 CO 0.23 -0.40 -0.30 1.49 -2.23 0.00 0.00 178.31 177.11 3fa9 h GLU 16 N -0.85 0.18 -0.42 1.11 4.81 -1.95 -2.48 114.58 114.98 3fa9 h GLU 16 Ca -0.08 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3fa9 h GLU 16 Cb 0.62 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3fa9 h GLU 16 CO 0.13 0.46 -0.09 1.49 -0.73 0.00 0.00 179.01 180.27 3fa9 h GLU 17 N 0.16 0.73 -0.36 1.92 4.57 -1.94 -0.07 114.58 119.60 3fa9 h GLU 17 Ca 0.02 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 57.99 3fa9 h GLU 17 Cb 0.61 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3fa9 h GLU 17 CO 0.04 0.80 0.20 1.25 -1.18 0.00 0.00 179.01 180.13 3fa9 h LEU 18 N 0.67 0.32 -0.70 1.64 5.85 -0.76 -1.10 115.31 121.23 3fa9 h LEU 18 Ca 0.12 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3fa9 h LEU 18 Cb 0.54 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3fa9 h LEU 18 CO 0.03 0.23 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.08 3fa9 h LEU 19 N 0.41 0.78 -0.39 2.25 3.38 -1.16 -2.95 115.31 117.64 3fa9 h LEU 19 Ca 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fa9 h LEU 19 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fa9 h LEU 19 CO -0.08 0.98 0.19 0.50 0.09 0.00 0.00 178.44 180.12 3fa9 h LYS 20 N 0.68 0.56 0.00 1.13 3.64 -0.66 -1.59 116.57 120.33 3fa9 h LYS 20 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fa9 h LYS 20 Cb 0.72 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3fa9 h LYS 20 CO 0.06 0.50 0.00 1.33 -2.27 0.00 0.00 179.45 179.06 3fa9 n VAL 21 N -4.70 0.71 0.87 2.00 0.24 -0.45 -2.16 118.33 114.85 3fa9 n VAL 21 Ca -0.00 0.14 0.11 0.00 -2.04 0.00 0.00 64.34 62.55 3fa9 n VAL 21 Cb 0.11 -0.89 0.30 0.00 -1.47 0.00 0.00 33.84 31.89 3fa9 n VAL 21 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fa9 n LEU 22 N -1.75 2.46 0.00 1.34 4.77 -0.81 -4.95 117.00 118.07 3fa9 n LEU 22 Ca 0.04 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3fa9 n LEU 22 Cb 0.25 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3fa9 n LEU 22 CO 0.19 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3fa9 n GLY 23 N 1.30 0.73 3.68 -0.72 0.00 -0.92 -5.04 105.19 104.23 3fa9 n GLY 23 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fa9 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa9 s VAL 24 N -2.25 3.61 0.68 1.61 1.01 -0.66 -4.99 120.40 119.41 3fa9 s VAL 24 Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.82 3fa9 s VAL 24 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3fa9 s VAL 24 CO 0.00 -0.02 1.09 0.54 0.00 0.00 0.00 175.10 176.71 3fa9 s ASN 25 N 2.15 5.12 0.40 3.32 2.20 -1.26 -4.48 114.94 122.38 3fa9 s ASN 25 Ca 0.66 1.85 0.08 0.00 -0.94 0.00 0.00 52.86 54.51 3fa9 s ASN 25 Cb -0.33 -2.53 0.82 0.00 -2.00 0.00 0.00 41.25 37.22 3fa9 s ASN 25 CO 0.27 -1.62 2.00 1.62 -2.94 0.00 0.00 177.10 176.43 3fa9 h VAL 26 N -0.33 1.13 -0.02 3.54 3.04 -1.99 -1.18 116.25 120.44 3fa9 h VAL 26 Ca -0.45 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 3fa9 h VAL 26 Cb 1.23 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3fa9 h VAL 26 CO 0.54 0.15 0.01 -0.03 -1.01 0.00 0.00 177.57 177.24 3fa9 h MET 27 N 0.45 0.03 -0.10 4.17 1.85 -1.99 -1.04 114.93 118.30 3fa9 h MET 27 Ca 0.11 -0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.13 3fa9 h MET 27 Cb 0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 3fa9 h MET 27 CO -0.01 0.02 -0.28 -0.07 -0.40 0.00 0.00 176.91 176.17 3fa9 h LEU 28 N 0.03 0.18 -0.62 3.39 3.38 -1.64 -1.01 115.31 119.02 3fa9 h LEU 28 Ca 0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3fa9 h LEU 28 Cb -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fa9 h LEU 28 CO -0.00 0.46 0.01 0.03 0.09 0.00 0.00 178.44 179.03 3fa9 h ARG 29 N 0.16 1.08 -0.09 1.13 3.08 -0.95 0.12 114.38 118.92 3fa9 h ARG 29 Ca 0.02 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.57 3fa9 h ARG 29 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3fa9 h ARG 29 CO 0.04 1.05 -0.66 0.87 -1.07 0.00 0.00 179.97 180.20 3fa9 h LYS 30 N 0.99 0.35 -0.57 0.04 1.79 -0.93 -0.12 116.57 118.12 3fa9 h LYS 30 Ca 0.18 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3fa9 h LYS 30 Cb 0.55 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3fa9 h LYS 30 CO 0.03 0.89 0.22 0.82 -1.08 0.00 0.00 179.45 180.32 3fa9 h ILE 31 N 0.25 1.23 -0.64 1.86 1.08 -1.05 -2.41 117.51 117.83 3fa9 h ILE 31 Ca -0.02 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3fa9 h ILE 31 Cb 1.21 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 3fa9 h ILE 31 CO 0.11 0.28 0.39 0.00 -0.69 0.00 0.00 178.15 178.23 3fa9 h ALA 32 N 1.07 0.82 -0.53 1.87 0.00 -0.33 -1.22 119.26 120.93 3fa9 h ALA 32 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3fa9 h ALA 32 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fa9 h ALA 32 CO -0.01 0.29 -0.13 -0.39 0.00 0.00 0.00 179.25 179.01 3fa9 h VAL 33 N 0.87 1.27 -0.04 0.00 -1.51 -0.96 -0.78 116.25 115.09 3fa9 h VAL 33 Ca 0.23 -1.30 0.04 0.00 -1.23 0.00 0.00 66.70 64.44 3fa9 h VAL 33 Cb -0.02 0.99 -0.05 0.00 -2.13 0.00 0.00 31.29 30.07 3fa9 h VAL 33 CO -0.04 0.46 -0.33 0.00 -1.23 0.00 0.00 177.57 176.42 3fa9 h ALA 34 N 0.92 -0.46 0.00 5.19 0.00 -1.15 -2.50 119.26 121.27 3fa9 h ALA 34 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fa9 h ALA 34 Cb 0.71 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fa9 h ALA 34 CO 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.47 3fa9 n ALA 35 N -2.80 1.52 -0.51 0.00 0.00 -0.49 -2.53 120.51 115.71 3fa9 n ALA 35 Ca -0.04 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.46 3fa9 n ALA 35 Cb 0.33 -1.18 0.33 0.00 0.00 0.00 0.00 19.45 18.93 3fa9 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa9 n ALA 36 N -1.49 2.75 -1.86 0.00 0.00 -0.32 -4.53 120.51 115.06 3fa9 n ALA 36 Ca 0.03 -1.47 -0.41 0.00 0.00 0.00 0.00 53.44 51.58 3fa9 n ALA 36 Cb 0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 3fa9 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fa9 s SER 37 N -0.97 6.76 -1.06 0.00 0.01 -1.05 -3.87 113.70 113.51 3fa9 s SER 37 Ca 0.49 2.61 -0.18 0.00 1.31 0.00 0.00 55.95 60.18 3fa9 s SER 37 Cb 0.29 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.89 3fa9 s SER 37 CO 0.27 -0.59 0.74 0.29 0.41 0.00 0.00 173.24 174.36 3fa9 n LYS 38 N 1.80 -1.12 -2.45 12.44 5.02 -1.26 -2.36 118.16 130.23 3fa9 n LYS 38 Ca 0.04 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.46 3fa9 n LYS 38 Cb 0.41 -3.75 -0.03 0.00 -0.02 0.00 0.00 35.03 31.64 3fa9 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fa9 s PRO 39 N -5.75 4.50 -0.14 1.97 0.04 -1.25 -4.35 135.00 130.02 3fa9 s PRO 39 Ca 0.36 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.19 3fa9 s PRO 39 Cb -0.14 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3fa9 s PRO 39 CO 0.87 -0.10 -0.21 0.00 0.04 0.00 0.00 177.00 177.60 3fa9 s ALA 40 N 0.34 2.27 -0.29 8.56 0.00 0.17 -4.09 121.76 128.73 3fa9 s ALA 40 Ca 0.54 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 3fa9 s ALA 40 Cb -0.30 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 3fa9 s ALA 40 CO 0.33 -0.01 0.10 0.08 0.00 0.00 0.00 175.76 176.26 3fa9 s VAL 41 N 0.78 4.26 -0.22 0.00 1.01 -0.84 -0.62 120.40 124.77 3fa9 s VAL 41 Ca -0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3fa9 s VAL 41 Cb -0.16 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3fa9 s VAL 41 CO -0.01 0.14 0.21 -0.70 0.00 0.00 0.00 175.10 174.75 3fa9 s GLU 42 N 1.57 4.13 -0.11 2.72 2.12 0.12 0.21 118.70 129.46 3fa9 s GLU 42 Ca 0.04 -0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.26 3fa9 s GLU 42 Cb -0.17 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3fa9 s GLU 42 CO 0.04 0.11 -0.19 0.42 -0.54 0.00 0.00 175.26 175.09 3fa9 s ILE 43 N 0.91 2.49 -0.32 -3.70 1.01 0.50 -0.39 121.20 121.70 3fa9 s ILE 43 Ca 0.11 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3fa9 s ILE 43 Cb -0.13 -2.00 0.09 0.00 0.01 0.00 0.00 42.46 40.43 3fa9 s ILE 43 CO 0.04 0.55 0.01 -0.75 0.00 0.00 0.00 174.94 174.78 3fa9 s LYS 44 N 0.32 1.74 -0.25 2.79 2.20 0.47 -1.23 119.74 125.77 3fa9 s LYS 44 Ca -0.15 -1.71 -0.08 0.00 -0.36 0.00 0.00 55.97 53.67 3fa9 s LYS 44 Cb -0.17 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3fa9 s LYS 44 CO 0.07 -0.83 0.10 -1.14 -0.36 0.00 0.00 175.35 173.19 3fa9 s GLN 45 N 0.97 3.74 -0.48 4.03 0.74 -1.26 -0.80 119.66 126.61 3fa9 s GLN 45 Ca 0.05 -0.44 0.04 0.00 0.05 0.00 0.00 55.36 55.06 3fa9 s GLN 45 Cb -0.19 -3.39 0.13 0.00 1.10 0.00 0.00 33.01 30.65 3fa9 s GLN 45 CO -0.07 -0.16 0.22 -1.21 -0.55 0.00 0.00 175.29 173.52 3fa9 s GLU 46 N 1.58 1.78 6.71 1.67 2.02 0.01 -4.80 118.70 127.66 3fa9 s GLU 46 Ca 0.06 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.67 3fa9 s GLU 46 Cb -0.15 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.94 3fa9 s GLU 46 CO 0.05 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3fa9 n GLY 47 N 3.39 2.20 0.01 -1.39 0.00 -1.26 -1.73 105.19 106.41 3fa9 n GLY 47 Ca 0.05 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3fa9 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa9 n ASP 48 N 10.44 0.64 -4.72 1.61 9.92 -1.26 -4.90 116.55 128.27 3fa9 n ASP 48 Ca 0.00 -0.35 -0.38 0.00 -0.53 0.00 0.00 54.79 53.53 3fa9 n ASP 48 Cb 0.00 0.52 -0.06 0.00 -0.64 0.00 0.00 41.12 40.95 3fa9 n ASP 48 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3fa9 s THR 49 N -3.06 5.16 -0.04 -3.53 2.01 -0.71 -1.30 115.64 114.17 3fa9 s THR 49 Ca 0.08 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.18 3fa9 s THR 49 Cb 0.16 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3fa9 s THR 49 CO 0.76 0.31 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.44 3fa9 s PHE 50 N 0.66 1.94 -0.18 4.92 0.40 0.15 -0.81 117.98 125.06 3fa9 s PHE 50 Ca 0.28 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 3fa9 s PHE 50 Cb -0.16 -1.27 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 3fa9 s PHE 50 CO 0.12 -0.13 -0.09 -0.47 0.70 0.00 0.00 175.22 175.34 3fa9 s TYR 51 N -0.19 2.89 -0.11 0.36 5.04 0.02 -1.62 117.35 123.74 3fa9 s TYR 51 Ca 0.00 -0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 53.78 3fa9 s TYR 51 Cb -0.11 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.25 3fa9 s TYR 51 CO 0.01 -0.41 -0.08 0.42 -1.34 0.00 0.00 175.55 174.15 3fa9 s ILE 52 N 0.94 1.04 -0.18 3.14 1.01 -0.59 -0.40 121.20 126.17 3fa9 s ILE 52 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3fa9 s ILE 52 Cb -0.15 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 3fa9 s ILE 52 CO -0.00 0.37 -0.12 -0.75 0.00 0.00 0.00 174.94 174.44 3fa9 s LYS 53 N 1.57 3.25 -0.19 2.79 2.20 0.48 -1.23 119.74 128.61 3fa9 s LYS 53 Ca 0.03 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3fa9 s LYS 53 Cb -0.13 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 3fa9 s LYS 53 CO -0.07 -0.09 -0.04 0.99 -0.36 0.00 0.00 175.35 175.78 3fa9 s THR 54 N 1.12 3.58 -0.04 3.43 2.01 0.06 0.11 115.64 125.91 3fa9 s THR 54 Ca 0.01 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.62 3fa9 s THR 54 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 3fa9 s THR 54 CO -0.03 0.44 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.69 3fa9 s SER 55 N 1.05 3.50 0.00 3.53 0.01 0.21 -0.74 113.70 121.26 3fa9 s SER 55 Ca 0.01 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3fa9 s SER 55 Cb -0.15 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.45 3fa9 s SER 55 CO 0.00 0.32 0.00 0.35 0.41 0.00 0.00 173.24 174.33 3fa9 n THR 56 N 2.45 0.00 0.27 1.44 -2.24 0.84 0.45 114.28 117.49 3fa9 n THR 56 Ca -0.17 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.78 3fa9 n THR 56 Cb 0.52 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.39 3fa9 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fa9 h THR 57 N 0.85 0.02 0.00 4.28 1.35 -1.66 -3.34 112.91 114.41 3fa9 h THR 57 Ca 0.00 -0.56 -0.11 0.00 -0.55 0.00 0.00 66.41 65.19 3fa9 h THR 57 Cb 0.00 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3fa9 h THR 57 CO 0.00 0.01 -1.42 1.33 -0.25 0.00 0.00 175.52 175.19 3fa9 n VAL 58 N -3.10 0.42 -4.47 6.82 0.24 -1.26 -5.07 118.33 111.90 3fa9 n VAL 58 Ca 0.01 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.34 61.87 3fa9 n VAL 58 Cb 0.32 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.74 3fa9 n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fa9 s ARG 59 N -2.15 1.04 -0.13 7.34 0.52 -1.26 -5.13 118.95 119.19 3fa9 s ARG 59 Ca -0.05 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 3fa9 s ARG 59 Cb 0.02 -1.04 0.02 0.00 0.52 0.00 0.00 34.95 34.47 3fa9 s ARG 59 CO 0.22 0.27 -0.14 0.99 0.02 0.00 0.00 175.30 176.66 3fa9 s THR 60 N -0.67 1.49 0.23 0.02 2.01 -1.26 -0.11 115.64 117.34 3fa9 s THR 60 Ca 0.03 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.54 3fa9 s THR 60 Cb -0.07 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 3fa9 s THR 60 CO 0.01 0.44 -0.19 0.42 -0.69 0.00 0.00 174.62 174.61 3fa9 s THR 61 N 1.35 2.17 -0.02 -0.82 -4.23 0.08 -4.99 115.64 109.17 3fa9 s THR 61 Ca 0.01 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.28 3fa9 s THR 61 Cb -0.13 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.58 3fa9 s THR 61 CO -0.07 -0.40 0.04 -1.61 -0.54 0.00 0.00 174.62 172.03 3fa9 s GLU 62 N -3.33 0.01 0.07 3.99 2.02 -1.26 -0.76 118.70 119.44 3fa9 s GLU 62 Ca 0.25 0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.46 3fa9 s GLU 62 Cb -0.04 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.05 3fa9 s GLU 62 CO 0.11 -0.09 -0.24 0.96 0.02 0.00 0.00 175.26 176.02 3fa9 s ILE 63 N 0.55 1.97 -0.08 -1.63 -4.36 -0.36 -5.01 121.20 112.28 3fa9 s ILE 63 Ca -0.04 -1.44 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 3fa9 s ILE 63 Cb -0.06 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3fa9 s ILE 63 CO -0.02 0.20 -0.19 0.20 0.24 0.00 0.00 174.94 175.38 3fa9 s ASN 64 N -1.49 2.53 0.14 4.36 0.01 -1.26 -1.54 114.94 117.69 3fa9 s ASN 64 Ca 0.10 -0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 51.62 3fa9 s ASN 64 Cb -0.10 -1.13 0.05 0.00 0.41 0.00 0.00 41.25 40.48 3fa9 s ASN 64 CO 0.03 0.11 0.48 0.72 -1.51 0.00 0.00 177.10 176.94 3fa9 s PHE 65 N 0.45 -0.35 -0.09 2.20 -0.12 -0.64 -4.93 117.98 114.51 3fa9 s PHE 65 Ca -0.16 0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 3fa9 s PHE 65 Cb -0.17 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3fa9 s PHE 65 CO 0.07 -0.76 -0.19 0.21 -0.05 0.00 0.00 175.22 174.49 3fa9 s LYS 66 N -3.76 2.92 0.14 1.99 2.20 -1.26 0.31 119.74 122.28 3fa9 s LYS 66 Ca 0.02 -0.79 -0.34 0.00 -0.36 0.00 0.00 55.97 54.50 3fa9 s LYS 66 Cb 0.01 -2.38 -0.14 0.00 -1.51 0.00 0.00 37.83 33.80 3fa9 s LYS 66 CO -0.12 0.33 1.54 0.28 -0.36 0.00 0.00 175.35 177.02 3fa9 n VAL 67 N 3.14 0.01 -0.05 4.02 0.31 -0.42 -1.60 118.33 123.73 3fa9 n VAL 67 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3fa9 n VAL 67 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3fa9 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fa9 n GLY 68 N 3.29 0.91 3.16 2.92 0.00 0.50 -4.98 105.19 110.99 3fa9 n GLY 68 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fa9 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 69 N -0.68 3.02 0.23 1.61 2.02 -0.63 -4.98 118.70 119.29 3fa9 s GLU 69 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 53.83 3fa9 s GLU 69 Cb 0.00 -2.47 -0.14 0.00 0.10 0.00 0.00 34.13 31.61 3fa9 s GLU 69 CO 0.00 -0.06 1.28 0.39 0.02 0.00 0.00 175.26 176.89 3fa9 n GLU 70 N 4.20 1.71 -4.17 1.61 1.02 -1.26 -4.49 120.64 119.26 3fa9 n GLU 70 Ca -0.20 0.61 -0.11 0.00 -0.02 0.00 0.00 57.16 57.44 3fa9 n GLU 70 Cb 0.51 -2.18 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 3fa9 n GLU 70 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3fa9 s PHE 71 N -0.29 1.01 -0.15 -0.32 -0.71 -0.54 -4.95 117.98 112.03 3fa9 s PHE 71 Ca 0.68 -1.30 -0.05 0.00 -1.04 0.00 0.00 56.93 55.22 3fa9 s PHE 71 Cb -0.71 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.57 3fa9 s PHE 71 CO 0.53 -0.60 0.03 -2.00 -1.34 0.00 0.00 175.22 171.83 3fa9 s GLU 72 N -4.11 3.65 0.00 1.99 2.12 -1.26 -0.14 118.70 120.95 3fa9 s GLU 72 Ca 0.32 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.28 3fa9 s GLU 72 Cb 0.07 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.40 3fa9 s GLU 72 CO 0.08 0.41 0.00 -0.85 -0.54 0.00 0.00 175.26 174.35 3fa9 n GLU 73 N 3.09 0.00 -4.21 4.30 0.28 -0.86 -4.97 120.64 118.28 3fa9 n GLU 73 Ca -0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.65 3fa9 n GLU 73 Cb 0.53 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.28 3fa9 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3fa9 s GLN 74 N 1.70 0.92 1.07 3.44 -0.21 -1.26 -1.93 119.66 123.39 3fa9 s GLN 74 Ca 0.00 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.15 3fa9 s GLN 74 Cb 0.00 -0.84 0.23 0.00 1.00 0.00 0.00 33.01 33.40 3fa9 s GLN 74 CO 0.00 0.17 1.07 0.95 -2.12 0.00 0.00 175.29 175.36 3fa9 s THR 75 N -1.79 2.03 0.50 -0.19 -4.23 0.59 -4.87 115.64 107.68 3fa9 s THR 75 Ca 0.04 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.70 3fa9 s THR 75 Cb -0.07 -2.33 0.26 0.00 1.34 0.00 0.00 72.50 71.70 3fa9 s THR 75 CO 0.02 -0.01 2.12 1.62 -0.54 0.00 0.00 174.62 177.83 3fa9 h VAL 76 N -2.22 1.03 -0.21 2.29 3.04 -1.99 -1.21 116.25 116.99 3fa9 h VAL 76 Ca -0.58 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3fa9 h VAL 76 Cb 1.33 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 3fa9 h VAL 76 CO 0.55 0.03 0.00 -0.90 -1.01 0.00 0.00 177.57 176.24 3fa9 n ASP 77 N -4.51 2.23 0.00 3.17 5.75 -1.26 -4.95 116.55 116.98 3fa9 n ASP 77 Ca -0.02 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3fa9 n ASP 77 Cb 0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3fa9 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa9 n GLY 78 N 1.25 0.71 3.75 6.12 0.00 -0.46 -5.09 105.19 111.48 3fa9 n GLY 78 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3fa9 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fa9 s ARG 79 N -0.56 4.82 0.28 1.61 0.52 -1.26 -4.72 118.95 119.64 3fa9 s ARG 79 Ca 0.00 1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 56.44 3fa9 s ARG 79 Cb 0.00 -3.24 -0.10 0.00 0.52 0.00 0.00 34.95 32.13 3fa9 s ARG 79 CO 0.00 0.47 1.17 -2.14 0.02 0.00 0.00 175.30 174.82 3fa9 s PRO 80 N -1.26 4.54 0.09 3.54 0.02 -1.26 -0.30 135.00 140.37 3fa9 s PRO 80 Ca 0.42 1.93 -0.05 0.00 0.02 0.00 0.00 61.00 63.32 3fa9 s PRO 80 Cb -0.26 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 3fa9 s PRO 80 CO 0.33 0.06 0.10 0.00 -0.33 0.00 0.00 177.00 177.15 3fa9 s LYS 82 N -3.92 3.78 0.17 0.00 2.20 0.21 -2.02 119.74 120.16 3fa9 s LYS 82 Ca 0.10 -0.33 0.11 0.00 -0.36 0.00 0.00 55.97 55.49 3fa9 s LYS 82 Cb 0.06 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 3fa9 s LYS 82 CO -0.08 0.39 -0.25 -1.12 -0.36 0.00 0.00 175.35 173.94 3fa9 s SER 83 N 0.04 3.36 -0.13 1.43 0.01 0.80 -0.90 113.70 118.31 3fa9 s SER 83 Ca 0.06 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 3fa9 s SER 83 Cb -0.12 -0.24 0.06 0.00 0.21 0.00 0.00 66.02 65.93 3fa9 s SER 83 CO 0.01 0.13 0.16 -0.22 0.41 0.00 0.00 173.24 173.73 3fa9 s LEU 84 N -2.48 -0.02 -0.12 2.44 2.96 -0.96 -1.47 118.68 119.03 3fa9 s LEU 84 Ca 0.18 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3fa9 s LEU 84 Cb -0.08 0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 3fa9 s LEU 84 CO 0.09 -0.28 0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 3fa9 s VAL 85 N 2.28 5.48 0.01 1.68 1.01 -1.26 -2.29 120.40 127.31 3fa9 s VAL 85 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3fa9 s VAL 85 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3fa9 s VAL 85 CO -0.08 0.60 -0.02 -0.54 0.00 0.00 0.00 175.10 175.06 3fa9 s LYS 86 N -0.89 0.19 0.07 2.72 1.02 -0.23 -0.37 119.74 122.26 3fa9 s LYS 86 Ca 0.15 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 3fa9 s LYS 86 Cb -0.12 -0.05 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 3fa9 s LYS 86 CO 0.04 0.01 1.49 -1.58 -0.92 0.00 0.00 175.35 174.38 3fa9 s TRP 87 N -0.53 2.87 -0.02 3.18 0.52 -1.26 -0.62 118.94 123.08 3fa9 s TRP 87 Ca -0.05 0.70 0.10 0.00 0.02 0.00 0.00 56.10 56.86 3fa9 s TRP 87 Cb -0.04 -3.78 -0.23 0.00 -1.15 0.00 0.00 33.47 28.27 3fa9 s TRP 87 CO -0.00 -2.94 0.76 1.49 0.02 0.00 0.00 176.95 176.28 3fa9 h GLU 88 N 7.54 0.03 0.00 4.98 4.81 -0.74 -3.47 114.58 127.73 3fa9 h GLU 88 Ca -0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3fa9 h GLU 88 Cb 1.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3fa9 h GLU 88 CO 0.90 0.65 0.00 -1.13 -0.73 0.00 0.00 179.01 178.70 3fa9 n SER 89 N -3.14 0.00 0.24 1.04 3.41 -0.96 -4.96 113.62 109.25 3fa9 n SER 89 Ca -0.15 -0.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.88 3fa9 n SER 89 Cb 1.03 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.58 3fa9 n SER 89 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fa9 h GLU 90 N 0.00 0.00 -0.01 4.33 5.08 -2.02 -3.30 114.58 118.66 3fa9 h GLU 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fa9 h GLU 90 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fa9 h GLU 90 CO 0.00 0.17 -0.08 0.09 -1.00 0.00 0.00 179.01 178.18 3fa9 n ASN 91 N -3.46 1.33 -3.77 1.42 4.13 -1.26 -3.97 115.26 109.68 3fa9 n ASN 91 Ca -0.01 -1.17 -0.16 0.00 1.68 0.00 0.00 54.58 54.93 3fa9 n ASN 91 Cb 0.34 0.25 -0.16 0.00 -1.54 0.00 0.00 39.78 38.67 3fa9 n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3fa9 s LYS 92 N -0.92 0.03 0.17 3.52 2.20 -1.25 -1.06 119.74 122.44 3fa9 s LYS 92 Ca 0.08 0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.96 3fa9 s LYS 92 Cb 0.06 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 3fa9 s LYS 92 CO 0.15 -0.17 -0.14 0.00 -0.36 0.00 0.00 175.35 174.83 3fa9 s MET 93 N 1.14 1.91 -0.00 4.03 0.23 -0.43 0.01 119.30 126.19 3fa9 s MET 93 Ca -0.08 -1.31 0.03 0.00 -1.03 0.00 0.00 55.69 53.30 3fa9 s MET 93 Cb -0.13 -2.09 -0.01 0.00 -1.53 0.00 0.00 34.83 31.07 3fa9 s MET 93 CO -0.03 0.43 -0.10 0.08 -2.03 0.00 0.00 175.02 173.38 3fa9 s VAL 94 N -1.61 0.80 -0.12 5.16 1.01 0.20 -1.91 120.40 123.93 3fa9 s VAL 94 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3fa9 s VAL 94 Cb -0.09 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3fa9 s VAL 94 CO 0.13 0.18 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 3fa9 s GLU 96 N 1.41 4.03 -0.04 0.00 -1.05 -0.97 -1.84 118.70 120.25 3fa9 s GLU 96 Ca 0.01 0.29 0.01 0.00 -0.15 0.00 0.00 54.97 55.14 3fa9 s GLU 96 Cb -0.13 -3.30 -0.03 0.00 -0.44 0.00 0.00 34.13 30.22 3fa9 s GLU 96 CO -0.07 0.50 -0.05 -0.65 0.95 0.00 0.00 175.26 175.94 3fa9 s GLN 97 N -0.40 2.72 -0.07 -4.83 -0.21 -1.05 -2.27 119.66 113.55 3fa9 s GLN 97 Ca 0.22 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3fa9 s GLN 97 Cb -0.15 -2.60 0.02 0.00 1.00 0.00 0.00 33.01 31.28 3fa9 s GLN 97 CO 0.10 0.64 -0.05 0.21 -2.12 0.00 0.00 175.29 174.07 3fa9 s LYS 98 N -1.12 1.06 0.40 2.91 2.20 -0.08 -4.62 119.74 120.49 3fa9 s LYS 98 Ca 0.15 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.36 3fa9 s LYS 98 Cb -0.11 -1.12 -0.10 0.00 -1.51 0.00 0.00 37.83 34.99 3fa9 s LYS 98 CO 0.05 -0.16 1.42 -0.51 -0.36 0.00 0.00 175.35 175.78 3fa9 s LEU 99 N 1.31 4.24 0.05 5.43 1.43 -1.26 0.63 118.68 130.52 3fa9 s LEU 99 Ca -0.04 2.90 -0.20 0.00 -1.03 0.00 0.00 54.13 55.76 3fa9 s LEU 99 Cb -0.14 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.17 3fa9 s LEU 99 CO -0.02 -0.94 1.43 -0.07 0.23 0.00 0.00 176.35 176.98 3fa9 h LEU 100 N 2.76 0.34 -7.90 1.79 3.38 -1.79 -3.44 115.31 110.45 3fa9 h LEU 100 Ca -0.50 -0.39 -0.52 0.00 0.09 0.00 0.00 57.88 56.56 3fa9 h LEU 100 Cb 1.25 -0.09 -0.35 0.00 0.09 0.00 0.00 40.66 41.56 3fa9 h LEU 100 CO 0.63 0.65 -0.81 -0.54 0.09 0.00 0.00 178.44 178.46 3fa9 s LYS 101 N -4.67 1.69 0.51 1.13 1.02 -1.26 -5.08 119.74 113.08 3fa9 s LYS 101 Ca -0.14 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3fa9 s LYS 101 Cb 0.06 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 3fa9 s LYS 101 CO 0.74 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 3fa9 n GLY 102 N 4.19 -1.86 3.47 -3.33 0.00 -1.26 -5.02 105.19 101.38 3fa9 n GLY 102 Ca -0.20 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 3fa9 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 103 N 0.00 1.75 0.00 1.61 2.02 -1.26 -4.75 118.70 118.07 3fa9 s GLU 103 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.98 3fa9 s GLU 103 Cb 0.00 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.49 3fa9 s GLU 103 CO 0.00 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.38 3fa9 n GLY 104 N -0.77 -1.23 3.78 -1.39 0.00 -1.26 -5.09 105.19 99.23 3fa9 n GLY 104 Ca -0.04 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3fa9 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fa9 s PRO 105 N -0.36 3.08 -0.02 1.61 0.02 -1.26 -4.94 135.00 133.13 3fa9 s PRO 105 Ca 0.00 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 3fa9 s PRO 105 Cb 0.00 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3fa9 s PRO 105 CO 0.00 -1.02 1.56 0.21 -0.33 0.00 0.00 177.00 177.41 3fa9 s LYS 106 N -3.90 4.22 0.03 5.54 2.20 -1.26 -4.92 119.74 121.65 3fa9 s LYS 106 Ca 0.67 2.12 0.09 0.00 -0.36 0.00 0.00 55.97 58.49 3fa9 s LYS 106 Cb -0.20 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 3fa9 s LYS 106 CO 0.37 -0.74 -0.25 0.95 -0.36 0.00 0.00 175.35 175.31 3fa9 s THR 107 N 3.27 2.20 0.17 3.43 -4.23 -1.26 -2.20 115.64 117.02 3fa9 s THR 107 Ca 0.70 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3fa9 s THR 107 Cb -0.33 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.67 3fa9 s THR 107 CO 0.28 0.41 0.38 -0.94 -0.54 0.00 0.00 174.62 174.22 3fa9 s SER 108 N -1.11 -0.09 0.05 3.99 1.04 -0.92 -2.51 113.70 114.14 3fa9 s SER 108 Ca 0.12 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 3fa9 s SER 108 Cb -0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3fa9 s SER 108 CO 0.02 -0.94 0.02 -1.66 0.98 0.00 0.00 173.24 171.65 3fa9 s TRP 109 N -3.91 0.41 0.08 5.02 1.48 -0.77 -0.83 118.94 120.42 3fa9 s TRP 109 Ca 0.12 -0.90 0.02 0.00 -1.06 0.00 0.00 56.10 54.28 3fa9 s TRP 109 Cb 0.02 -0.30 -0.04 0.00 -1.16 0.00 0.00 33.47 31.99 3fa9 s TRP 109 CO -0.03 -0.39 -0.08 0.95 -4.06 0.00 0.00 176.95 173.34 3fa9 s THR 110 N -3.63 0.73 -0.05 0.66 -4.23 -0.24 0.36 115.64 109.25 3fa9 s THR 110 Ca 0.04 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3fa9 s THR 110 Cb 0.05 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.61 3fa9 s THR 110 CO -0.09 -0.64 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.48 3fa9 s LEU 111 N -2.47 1.61 -0.04 4.79 1.43 -0.80 -1.85 118.68 121.35 3fa9 s LEU 111 Ca 0.04 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3fa9 s LEU 111 Cb -0.01 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.52 3fa9 s LEU 111 CO -0.02 0.02 -0.11 -0.70 0.23 0.00 0.00 176.35 175.78 3fa9 s GLU 112 N 0.61 1.25 -0.42 1.70 2.12 0.18 -1.31 118.70 122.82 3fa9 s GLU 112 Ca -0.12 -0.36 -0.10 0.00 0.36 0.00 0.00 54.97 54.76 3fa9 s GLU 112 Cb -0.14 -1.11 0.07 0.00 0.26 0.00 0.00 34.13 33.21 3fa9 s GLU 112 CO 0.02 0.09 0.27 -1.17 -0.54 0.00 0.00 175.26 173.94 3fa9 s LEU 113 N 0.36 5.16 0.00 2.70 0.20 -0.23 0.20 118.68 127.08 3fa9 s LEU 113 Ca -0.07 -1.43 -0.15 0.00 0.69 0.00 0.00 54.13 53.17 3fa9 s LEU 113 Cb -0.11 -2.01 0.22 0.00 -0.43 0.00 0.00 46.19 43.86 3fa9 s LEU 113 CO 0.01 -0.54 0.90 0.35 -0.29 0.00 0.00 176.35 176.79 3fa9 n THR 114 N 4.96 0.00 0.14 3.68 -2.24 0.64 -4.82 114.28 116.64 3fa9 n THR 114 Ca -0.11 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.23 3fa9 n THR 114 Cb 0.43 -1.28 0.09 0.00 -2.10 0.00 0.00 70.33 67.47 3fa9 n THR 114 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3fa9 h ASN 115 N -2.13 0.00 0.00 3.42 -0.00 -1.99 -2.81 115.58 112.07 3fa9 h ASN 115 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.97 3fa9 h ASN 115 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.29 3fa9 h ASN 115 CO 0.22 0.53 0.00 0.47 -0.00 0.00 0.00 177.43 178.65 3fa9 n ASP 116 N -3.33 0.00 -0.59 1.15 8.00 -1.26 -4.86 116.55 115.67 3fa9 n ASP 116 Ca 0.01 -0.71 -0.05 0.00 0.71 0.00 0.00 54.79 54.75 3fa9 n ASP 116 Cb 0.70 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3fa9 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa9 n GLY 117 N 0.36 0.23 3.74 0.44 0.00 -1.06 -5.05 105.19 103.85 3fa9 n GLY 117 Ca 0.16 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3fa9 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa9 s GLU 118 N -4.34 3.05 -0.33 1.61 2.02 -1.26 -4.33 118.70 115.14 3fa9 s GLU 118 Ca 0.01 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.49 3fa9 s GLU 118 Cb -0.01 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 3fa9 s GLU 118 CO 0.02 0.69 0.19 -1.17 0.02 0.00 0.00 175.26 175.00 3fa9 s LEU 119 N -1.22 4.29 -0.26 1.80 2.96 -0.26 -0.26 118.68 125.73 3fa9 s LEU 119 Ca 0.17 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.43 3fa9 s LEU 119 Cb -0.12 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3fa9 s LEU 119 CO 0.07 -0.22 0.28 -0.63 -1.32 0.00 0.00 176.35 174.52 3fa9 s ILE 120 N 1.65 5.25 -0.27 6.68 1.01 0.13 -0.68 121.20 134.97 3fa9 s ILE 120 Ca 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 3fa9 s ILE 120 Cb -0.17 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.72 3fa9 s ILE 120 CO 0.08 0.23 -0.04 -0.62 0.00 0.00 0.00 174.94 174.58 3fa9 s ASP 121 N 1.55 4.53 0.04 3.58 -1.08 0.10 -0.65 116.67 124.75 3fa9 s ASP 121 Ca 0.11 -1.02 0.08 0.00 -0.52 0.00 0.00 52.55 51.20 3fa9 s ASP 121 Cb -0.15 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.59 3fa9 s ASP 121 CO 0.09 -0.18 -0.21 0.42 0.52 0.00 0.00 175.17 175.82 3fa9 s THR 122 N 1.30 2.58 -0.06 1.71 -4.23 -0.77 -0.15 115.64 116.03 3fa9 s THR 122 Ca -0.02 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3fa9 s THR 122 Cb -0.18 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3fa9 s THR 122 CO -0.03 0.36 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.28 3fa9 s MET 123 N -1.34 1.35 0.05 3.99 -1.94 0.12 -1.07 119.30 120.46 3fa9 s MET 123 Ca 0.13 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 3fa9 s MET 123 Cb -0.10 -1.17 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 3fa9 s MET 123 CO 0.04 -0.02 -0.24 0.99 -0.01 0.00 0.00 175.02 175.79 3fa9 s THR 124 N 0.76 1.92 -0.07 2.05 2.01 -0.01 0.22 115.64 122.51 3fa9 s THR 124 Ca -0.13 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.52 3fa9 s THR 124 Cb -0.15 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.75 3fa9 s THR 124 CO 0.02 0.28 0.11 0.00 -0.69 0.00 0.00 174.62 174.34 3fa9 s ALA 125 N -0.82 0.05 0.00 7.40 0.00 -0.57 -2.17 121.76 125.66 3fa9 s ALA 125 Ca 0.10 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3fa9 s ALA 125 Cb -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3fa9 s ALA 125 CO 0.02 -0.58 0.00 -0.25 0.00 0.00 0.00 175.76 174.95 3fa9 n ASP 126 N 5.31 0.00 -1.10 0.00 8.00 -0.93 -0.97 116.55 126.86 3fa9 n ASP 126 Ca -0.04 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.54 3fa9 n ASP 126 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 3fa9 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fa9 n ASP 127 N 6.78 4.06 -4.37 -2.24 5.75 -1.26 -4.92 116.55 120.36 3fa9 n ASP 127 Ca 0.00 -2.63 -0.33 0.00 -0.01 0.00 0.00 54.79 51.82 3fa9 n ASP 127 Cb 0.00 -0.49 -0.14 0.00 -1.03 0.00 0.00 41.12 39.45 3fa9 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fa9 s VAL 128 N -2.15 2.99 -0.18 2.12 1.01 -0.14 -5.10 120.40 118.95 3fa9 s VAL 128 Ca 0.41 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3fa9 s VAL 128 Cb 0.29 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3fa9 s VAL 128 CO 0.15 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 3fa9 s VAL 129 N 0.27 2.54 -0.27 2.92 1.01 -1.26 -1.51 120.40 124.10 3fa9 s VAL 129 Ca -0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3fa9 s VAL 129 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3fa9 s VAL 129 CO 0.06 0.51 0.59 0.00 0.00 0.00 0.00 175.10 176.25 3fa9 s THR 131 N 2.45 2.93 -0.03 0.00 2.01 -0.38 -0.70 115.64 121.93 3fa9 s THR 131 Ca 0.24 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.62 3fa9 s THR 131 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3fa9 s THR 131 CO 0.09 0.47 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.84 3fa9 s LYS 132 N 1.23 2.49 -0.10 4.92 1.02 0.79 -1.03 119.74 129.07 3fa9 s LYS 132 Ca 0.02 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.33 3fa9 s LYS 132 Cb -0.14 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3fa9 s LYS 132 CO -0.04 0.62 -0.19 0.08 -0.92 0.00 0.00 175.35 174.89 3fa9 s VAL 133 N -0.82 1.70 0.25 3.17 1.01 -0.19 0.03 120.40 125.55 3fa9 s VAL 133 Ca 0.13 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.42 3fa9 s VAL 133 Cb -0.11 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3fa9 s VAL 133 CO 0.02 0.48 -0.13 -0.36 0.00 0.00 0.00 175.10 175.12 3fa9 s PHE 134 N 0.60 2.47 0.16 5.22 0.40 0.15 0.19 117.98 127.16 3fa9 s PHE 134 Ca -0.14 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 3fa9 s PHE 134 Cb -0.17 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.20 3fa9 s PHE 134 CO 0.04 0.63 -0.16 0.14 0.70 0.00 0.00 175.22 176.57 3fa9 s VAL 135 N -2.21 1.64 0.11 -0.44 -7.23 0.26 -1.11 120.40 111.43 3fa9 s VAL 135 Ca 0.28 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 3fa9 s VAL 135 Cb -0.06 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.01 3fa9 s VAL 135 CO 0.16 -0.40 1.44 -0.13 -0.31 0.00 0.00 175.10 175.85 3fa9 s ARG 136 N -2.93 4.29 0.00 4.82 0.52 -1.26 -0.81 118.95 123.58 3fa9 s ARG 136 Ca 0.15 2.13 0.20 0.00 -0.52 0.00 0.00 55.73 57.69 3fa9 s ARG 136 Cb -0.04 -3.28 1.18 0.00 0.52 0.00 0.00 34.95 33.33 3fa9 s ARG 136 CO 0.05 -0.50 1.57 -1.91 0.02 0.00 0.00 175.30 174.53