#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9d s ASN 2 N 0.00 4.92 0.03 2.55 3.84 -1.26 -4.96 114.94 120.05 3f9d s ASN 2 Ca 0.00 -1.37 0.23 0.00 0.21 0.00 0.00 52.86 51.94 3f9d s ASN 2 Cb 0.00 -1.72 0.98 0.00 -0.55 0.00 0.00 41.25 39.96 3f9d s ASN 2 CO 0.00 -0.29 1.75 0.49 -2.79 0.00 0.00 177.10 176.26 3f9d n PHE 3 N 4.61 0.11 -1.83 0.43 3.01 -1.26 -4.88 117.46 117.65 3f9d n PHE 3 Ca -0.12 0.04 -0.41 0.00 1.01 0.00 0.00 57.45 57.97 3f9d n PHE 3 Cb 0.43 -0.56 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 3f9d n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3f9d s SER 4 N -3.18 6.41 0.00 4.37 0.01 -1.26 -4.67 113.70 115.39 3f9d s SER 4 Ca 0.11 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.32 3f9d s SER 4 Cb 0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3f9d s SER 4 CO 0.44 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.84 3f9d n GLY 5 N 1.40 0.42 3.51 3.44 0.00 -0.64 -4.97 105.19 108.35 3f9d n GLY 5 Ca 0.05 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 3f9d n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f9d s ASN 6 N 0.00 5.34 -0.06 1.61 0.01 -1.26 -1.41 114.94 119.17 3f9d s ASN 6 Ca 0.00 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 3f9d s ASN 6 Cb 0.00 -1.95 -0.02 0.00 0.41 0.00 0.00 41.25 39.69 3f9d s ASN 6 CO 0.00 0.02 -0.22 0.26 -1.51 0.00 0.00 177.10 175.65 3f9d s TRP 7 N 1.31 2.52 -0.00 2.20 0.52 0.35 -0.64 118.94 125.19 3f9d s TRP 7 Ca 0.05 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.73 3f9d s TRP 7 Cb -0.15 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3f9d s TRP 7 CO 0.04 -0.09 -0.25 -1.59 0.02 0.00 0.00 176.95 175.08 3f9d s LYS 8 N -0.33 2.04 0.13 4.98 -2.85 0.64 -2.15 119.74 122.19 3f9d s LYS 8 Ca 0.02 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 53.72 3f9d s LYS 8 Cb -0.12 -2.04 -0.06 0.00 -2.06 0.00 0.00 37.83 33.54 3f9d s LYS 8 CO 0.02 0.55 1.00 -1.50 0.10 0.00 0.00 175.35 175.52 3f9d s ILE 9 N -0.67 4.31 -0.01 3.79 2.07 -1.26 -1.15 121.20 128.27 3f9d s ILE 9 Ca 0.11 1.95 0.04 0.00 -1.41 0.00 0.00 60.65 61.34 3f9d s ILE 9 Cb -0.10 -4.24 -0.07 0.00 0.13 0.00 0.00 42.46 38.18 3f9d s ILE 9 CO 0.00 0.31 0.08 2.30 -1.91 0.00 0.00 174.94 175.73 3f9d n ILE 10 N 2.63 0.06 -3.71 2.00 -5.35 0.20 -4.90 119.36 110.29 3f9d n ILE 10 Ca 0.02 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 3f9d n ILE 10 Cb 0.48 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.43 3f9d n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f9d s ARG 11 N -2.27 0.70 -0.05 6.28 1.70 -1.03 -4.99 118.95 119.30 3f9d s ARG 11 Ca -0.02 0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 3f9d s ARG 11 Cb 0.03 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3f9d s ARG 11 CO 0.19 -0.18 -0.02 0.45 -1.08 0.00 0.00 175.30 174.65 3f9d s SER 12 N -0.96 1.09 -0.23 -2.89 0.15 -1.26 -0.36 113.70 109.24 3f9d s SER 12 Ca -0.10 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.46 3f9d s SER 12 Cb -0.04 -0.41 0.03 0.00 -1.71 0.00 0.00 66.02 63.90 3f9d s SER 12 CO 0.04 -0.11 -0.12 -0.70 1.20 0.00 0.00 173.24 173.55 3f9d s GLU 13 N 1.32 2.75 -0.75 5.44 2.12 0.16 -4.81 118.70 124.92 3f9d s GLU 13 Ca -0.05 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.26 3f9d s GLU 13 Cb -0.13 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3f9d s GLU 13 CO -0.02 -0.38 0.00 0.09 -0.54 0.00 0.00 175.26 174.41 3f9d n ASN 14 N 4.60 -3.14 -0.04 -1.70 3.02 -1.26 -1.21 115.26 115.52 3f9d n ASN 14 Ca -0.17 0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.27 3f9d n ASN 14 Cb 0.47 -2.30 -0.08 0.00 -0.61 0.00 0.00 39.78 37.26 3f9d n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3f9d h PHE 15 N 0.00 0.28 -0.40 3.10 3.57 -1.91 -1.37 116.94 120.22 3f9d h PHE 15 Ca -0.20 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 3f9d h PHE 15 Cb 1.07 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3f9d h PHE 15 CO 0.23 0.69 -0.03 1.49 -2.23 0.00 0.00 178.31 178.46 3f9d h GLU 16 N -0.21 0.64 -0.67 1.11 4.81 -1.99 -1.24 114.58 117.04 3f9d h GLU 16 Ca 0.01 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3f9d h GLU 16 Cb 0.66 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3f9d h GLU 16 CO 0.03 0.68 0.32 0.93 -0.73 0.00 0.00 179.01 180.24 3f9d h GLU 17 N 0.61 0.95 -0.23 1.92 4.39 -1.95 -0.46 114.58 119.81 3f9d h GLU 17 Ca 0.12 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3f9d h GLU 17 Cb 0.42 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3f9d h GLU 17 CO 0.02 0.73 0.05 1.25 -1.16 0.00 0.00 179.01 179.90 3f9d h LEU 18 N 0.95 0.35 -1.35 1.33 5.85 -0.57 -2.02 115.31 119.85 3f9d h LEU 18 Ca 0.23 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3f9d h LEU 18 Cb 0.10 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3f9d h LEU 18 CO -0.03 0.51 0.45 -0.07 -0.34 0.00 0.00 178.44 178.95 3f9d h LEU 19 N 0.18 0.75 -0.07 2.25 3.38 -0.81 -2.30 115.31 118.70 3f9d h LEU 19 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3f9d h LEU 19 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3f9d h LEU 19 CO 0.00 0.54 0.03 0.11 0.09 0.00 0.00 178.44 179.21 3f9d h LYS 20 N 0.89 0.11 0.00 1.13 1.57 -0.88 -0.69 116.57 118.69 3f9d h LYS 20 Ca 0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3f9d h LYS 20 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3f9d h LYS 20 CO -0.06 0.23 -0.13 0.28 -0.57 0.00 0.00 179.45 179.20 3f9d h VAL 21 N -0.04 1.09 -0.00 0.50 2.07 -1.11 -0.63 116.25 118.13 3f9d h VAL 21 Ca 0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3f9d h VAL 21 Cb 0.16 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3f9d h VAL 21 CO -0.00 0.13 -0.01 0.18 0.02 0.00 0.00 177.57 177.88 3f9d n LEU 22 N -4.39 0.12 0.00 2.57 4.77 -0.89 -4.85 117.00 114.34 3f9d n LEU 22 Ca -0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3f9d n LEU 22 Cb 0.20 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3f9d n LEU 22 CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3f9d n GLY 23 N 1.14 0.57 3.70 -0.72 0.00 -0.25 -4.93 105.19 104.71 3f9d n GLY 23 Ca 0.19 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3f9d n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f9d s VAL 24 N -2.00 4.32 0.83 1.61 1.01 -0.32 -4.99 120.40 120.86 3f9d s VAL 24 Ca 0.00 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 3f9d s VAL 24 Cb 0.00 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.41 3f9d s VAL 24 CO 0.00 0.09 1.12 0.54 0.00 0.00 0.00 175.10 176.84 3f9d s ASN 25 N 1.17 4.24 0.24 3.32 2.20 -1.26 -4.63 114.94 120.21 3f9d s ASN 25 Ca 0.56 1.13 -0.07 0.00 -0.94 0.00 0.00 52.86 53.54 3f9d s ASN 25 Cb -0.26 -1.80 0.25 0.00 -2.00 0.00 0.00 41.25 37.44 3f9d s ASN 25 CO 0.26 -2.11 1.91 -0.37 -2.94 0.00 0.00 177.10 173.85 3f9d h VAL 26 N -1.19 1.21 0.07 3.54 -1.51 -1.98 0.20 116.25 116.59 3f9d h VAL 26 Ca -0.48 -0.42 0.02 0.00 -1.23 0.00 0.00 66.70 64.60 3f9d h VAL 26 Cb 1.29 -0.12 -0.04 0.00 -2.13 0.00 0.00 31.29 30.30 3f9d h VAL 26 CO 0.61 0.22 -0.26 -0.03 -1.23 0.00 0.00 177.57 176.88 3f9d h MET 27 N 1.22 -0.42 -0.19 5.19 1.85 -2.00 0.21 114.93 120.79 3f9d h MET 27 Ca 0.35 0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.37 3f9d h MET 27 Cb -0.09 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3f9d h MET 27 CO -0.09 -0.28 -0.31 -0.07 -0.40 0.00 0.00 176.91 175.76 3f9d h LEU 28 N -0.44 0.38 -0.71 3.39 3.38 -1.80 -2.74 115.31 116.78 3f9d h LEU 28 Ca 0.04 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3f9d h LEU 28 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3f9d h LEU 28 CO -0.18 0.68 -0.38 0.03 0.09 0.00 0.00 178.44 178.67 3f9d h ARG 29 N 0.33 0.56 0.40 1.13 3.08 -0.21 -0.85 114.38 118.83 3f9d h ARG 29 Ca 0.04 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3f9d h ARG 29 Cb 0.71 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3f9d h ARG 29 CO 0.05 0.85 -0.19 -0.22 -1.07 0.00 0.00 179.97 179.39 3f9d h LYS 30 N 0.47 -0.52 -0.47 0.04 1.63 -0.74 0.10 116.57 117.08 3f9d h LYS 30 Ca 0.05 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.96 3f9d h LYS 30 Cb 0.87 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.55 3f9d h LYS 30 CO 0.07 -0.32 0.10 0.82 -3.45 0.00 0.00 179.45 176.67 3f9d h ILE 31 N -0.59 0.75 -0.14 2.00 2.04 -1.43 -0.50 117.51 119.64 3f9d h ILE 31 Ca -0.06 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3f9d h ILE 31 Cb 0.44 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3f9d h ILE 31 CO 0.09 0.04 -0.40 0.00 0.00 0.00 0.00 178.15 177.88 3f9d h ALA 32 N 1.36 1.05 -0.02 1.87 0.00 -1.05 -1.35 119.26 121.13 3f9d h ALA 32 Ca 0.23 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 3f9d h ALA 32 Cb 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3f9d h ALA 32 CO -0.30 0.60 -0.94 0.28 0.00 0.00 0.00 179.25 178.89 3f9d h VAL 33 N 0.27 1.36 -0.13 0.00 2.07 -0.42 -2.04 116.25 117.37 3f9d h VAL 33 Ca 0.02 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 3f9d h VAL 33 Cb 0.83 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3f9d h VAL 33 CO 0.07 0.71 0.04 0.00 0.02 0.00 0.00 177.57 178.40 3f9d h ALA 34 N 0.67 0.17 -0.22 1.67 0.00 -0.96 -2.78 119.26 117.81 3f9d h ALA 34 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3f9d h ALA 34 Cb 1.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3f9d h ALA 34 CO 0.17 -0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.35 3f9d h ALA 35 N 0.84 1.84 0.00 0.00 0.00 -1.28 -2.90 119.26 117.76 3f9d h ALA 35 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f9d h ALA 35 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f9d h ALA 35 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3f9d n ALA 36 N -2.50 2.30 0.02 0.00 0.00 -0.77 -3.56 120.51 116.00 3f9d n ALA 36 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 3f9d n ALA 36 Cb 0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 3f9d n ALA 36 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3f9d h SER 37 N 0.00 -0.03 -2.27 0.00 0.02 -1.49 -3.37 113.55 106.41 3f9d h SER 37 Ca 0.00 -0.28 -0.59 0.00 -0.84 0.00 0.00 61.79 60.08 3f9d h SER 37 Cb 0.25 0.01 -0.42 0.00 0.14 0.00 0.00 62.40 62.37 3f9d h SER 37 CO 0.00 0.26 -0.65 0.29 -1.14 0.00 0.00 176.83 175.59 3f9d n LYS 38 N -4.97 3.08 -1.70 3.45 5.02 -1.23 -4.91 118.16 116.89 3f9d n LYS 38 Ca -0.08 -4.80 -0.31 0.00 -2.02 0.00 0.00 58.31 51.10 3f9d n LYS 38 Cb 0.17 -2.23 0.04 0.00 -0.02 0.00 0.00 35.03 32.99 3f9d n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3f9d s PRO 39 N -3.30 3.13 -0.20 1.97 0.04 -1.26 -4.75 135.00 130.64 3f9d s PRO 39 Ca 0.47 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 3f9d s PRO 39 Cb 0.26 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.80 3f9d s PRO 39 CO -0.12 -0.93 -0.15 0.00 0.04 0.00 0.00 177.00 175.84 3f9d s ALA 40 N -3.12 2.47 -0.16 8.56 0.00 -0.10 -4.61 121.76 124.79 3f9d s ALA 40 Ca 0.57 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3f9d s ALA 40 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3f9d s ALA 40 CO 0.54 -0.44 -0.08 0.08 0.00 0.00 0.00 175.76 175.86 3f9d s VAL 41 N 1.32 3.33 -0.04 0.00 1.01 -0.92 -0.97 120.40 124.14 3f9d s VAL 41 Ca 0.04 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3f9d s VAL 41 Cb -0.14 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3f9d s VAL 41 CO -0.10 0.49 -0.21 -0.70 0.00 0.00 0.00 175.10 174.57 3f9d s GLU 42 N 0.70 2.09 -0.04 2.72 2.12 -0.22 0.13 118.70 126.20 3f9d s GLU 42 Ca -0.04 -0.76 0.06 0.00 0.36 0.00 0.00 54.97 54.59 3f9d s GLU 42 Cb -0.15 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.40 3f9d s GLU 42 CO 0.02 0.34 -0.22 0.42 -0.54 0.00 0.00 175.26 175.29 3f9d s ILE 43 N -0.15 1.77 -0.21 -3.70 1.01 -0.50 -0.48 121.20 118.94 3f9d s ILE 43 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3f9d s ILE 43 Cb -0.12 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.88 3f9d s ILE 43 CO 0.02 0.50 -0.13 -0.54 0.00 0.00 0.00 174.94 174.79 3f9d s LYS 44 N -0.18 2.87 -0.15 2.79 1.02 0.37 -1.62 119.74 124.84 3f9d s LYS 44 Ca -0.01 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.00 3f9d s LYS 44 Cb -0.12 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3f9d s LYS 44 CO 0.02 -0.32 0.04 -1.14 -0.92 0.00 0.00 175.35 173.03 3f9d s GLN 45 N 1.29 3.63 -0.52 1.68 0.74 -1.26 -1.12 119.66 124.10 3f9d s GLN 45 Ca 0.02 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.09 3f9d s GLN 45 Cb -0.15 -3.05 0.16 0.00 1.10 0.00 0.00 33.01 31.06 3f9d s GLN 45 CO -0.09 0.42 0.35 -1.21 -0.55 0.00 0.00 175.29 174.21 3f9d s GLU 46 N -0.08 1.56 7.33 1.67 0.41 0.10 -4.89 118.70 124.80 3f9d s GLU 46 Ca 0.05 -2.46 0.00 0.00 -0.41 0.00 0.00 54.97 52.16 3f9d s GLU 46 Cb -0.12 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 3f9d s GLU 46 CO 0.01 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 173.93 3f9d n GLY 47 N 2.86 3.29 0.21 -1.39 0.00 -1.26 -1.44 105.19 107.46 3f9d n GLY 47 Ca 0.18 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.53 3f9d n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9d n ASP 48 N 9.96 0.86 -4.73 1.61 8.00 -1.26 -4.86 116.55 126.12 3f9d n ASP 48 Ca 0.00 -0.81 -0.37 0.00 0.71 0.00 0.00 54.79 54.32 3f9d n ASP 48 Cb 0.00 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3f9d n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3f9d s THR 49 N -2.47 5.24 0.10 -3.53 2.01 -0.52 -1.01 115.64 115.46 3f9d s THR 49 Ca 0.27 0.78 0.10 0.00 0.31 0.00 0.00 61.69 63.14 3f9d s THR 49 Cb 0.20 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3f9d s THR 49 CO 0.50 0.36 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.17 3f9d s PHE 50 N 0.54 2.13 -0.06 4.92 0.40 0.76 0.02 117.98 126.68 3f9d s PHE 50 Ca 0.22 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 3f9d s PHE 50 Cb -0.14 -1.19 -0.00 0.00 0.51 0.00 0.00 43.02 42.20 3f9d s PHE 50 CO 0.08 0.24 -0.18 -0.47 0.70 0.00 0.00 175.22 175.59 3f9d s TYR 51 N -1.01 1.84 -0.07 0.36 5.04 -0.27 -1.81 117.35 121.42 3f9d s TYR 51 Ca 0.11 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3f9d s TYR 51 Cb -0.10 -1.25 0.02 0.00 0.35 0.00 0.00 41.96 40.98 3f9d s TYR 51 CO 0.04 -0.22 -0.06 0.42 -1.34 0.00 0.00 175.55 174.39 3f9d s ILE 52 N 0.18 0.76 -0.10 3.14 1.01 -0.20 -0.48 121.20 125.51 3f9d s ILE 52 Ca -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3f9d s ILE 52 Cb -0.13 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 3f9d s ILE 52 CO 0.03 0.30 -0.18 -0.75 0.00 0.00 0.00 174.94 174.34 3f9d s LYS 53 N 1.26 3.02 -0.15 2.79 2.20 0.37 -0.30 119.74 128.92 3f9d s LYS 53 Ca -0.05 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 3f9d s LYS 53 Cb -0.14 -2.42 -0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3f9d s LYS 53 CO -0.02 0.30 -0.16 -2.00 -0.36 0.00 0.00 175.35 173.10 3f9d s GLU 54 N 0.09 3.20 -0.16 4.03 2.12 0.01 -1.05 118.70 126.95 3f9d s GLU 54 Ca -0.08 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3f9d s GLU 54 Cb -0.15 -2.59 0.01 0.00 0.26 0.00 0.00 34.13 31.65 3f9d s GLU 54 CO 0.05 0.04 -0.19 0.45 -0.54 0.00 0.00 175.26 175.07 3f9d s SER 55 N 0.76 3.33 0.47 -1.70 0.15 -0.14 -0.60 113.70 115.96 3f9d s SER 55 Ca -0.06 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.04 3f9d s SER 55 Cb -0.15 -1.50 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 3f9d s SER 55 CO 0.01 0.06 0.07 0.42 1.20 0.00 0.00 173.24 175.00 3f9d s THR 56 N 0.96 0.82 0.59 6.45 -4.23 0.98 -0.92 115.64 120.29 3f9d s THR 56 Ca -0.03 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.78 3f9d s THR 56 Cb -0.15 -2.21 0.36 0.00 1.34 0.00 0.00 72.50 71.84 3f9d s THR 56 CO -0.04 0.00 2.24 0.71 -0.54 0.00 0.00 174.62 176.99 3f9d h THR 57 N 1.54 0.51 -0.00 3.99 1.35 -1.86 -3.13 112.91 115.31 3f9d h THR 57 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3f9d h THR 57 Cb 1.30 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3f9d h THR 57 CO 0.64 0.00 -0.03 1.33 -0.25 0.00 0.00 175.52 177.22 3f9d n VAL 58 N -3.82 0.00 -3.74 6.82 0.24 -1.26 -5.06 118.33 111.51 3f9d n VAL 58 Ca -0.02 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 3f9d n VAL 58 Cb 0.11 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 3f9d n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3f9d s ARG 59 N -0.51 0.50 -0.16 7.34 3.52 -1.18 -5.13 118.95 123.33 3f9d s ARG 59 Ca 0.02 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 3f9d s ARG 59 Cb 0.01 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.67 3f9d s ARG 59 CO 0.04 -0.08 -0.12 0.99 -0.81 0.00 0.00 175.30 175.31 3f9d s THR 60 N -0.12 1.54 -0.18 4.11 2.01 -1.26 -0.02 115.64 121.72 3f9d s THR 60 Ca -0.03 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3f9d s THR 60 Cb -0.03 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 3f9d s THR 60 CO 0.01 0.36 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.31 3f9d s THR 61 N 1.48 3.00 -0.15 -0.82 2.01 0.23 -4.99 115.64 116.41 3f9d s THR 61 Ca 0.03 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3f9d s THR 61 Cb -0.14 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.07 3f9d s THR 61 CO -0.10 0.48 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.50 3f9d s GLU 62 N 1.09 2.83 -0.07 4.92 2.02 -1.26 -0.81 118.70 127.42 3f9d s GLU 62 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.26 3f9d s GLU 62 Cb -0.15 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 3f9d s GLU 62 CO -0.02 -0.12 -0.22 0.42 0.02 0.00 0.00 175.26 175.34 3f9d s ILE 63 N 1.08 2.35 -0.14 -1.63 1.01 0.59 -4.98 121.20 119.48 3f9d s ILE 63 Ca -0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3f9d s ILE 63 Cb -0.14 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.47 3f9d s ILE 63 CO -0.07 0.56 -0.06 0.20 0.00 0.00 0.00 174.94 175.58 3f9d s ASN 64 N -0.10 2.45 0.12 3.58 0.01 -1.26 -1.04 114.94 118.71 3f9d s ASN 64 Ca -0.05 -0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 51.54 3f9d s ASN 64 Cb -0.14 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.68 3f9d s ASN 64 CO 0.04 -0.16 0.27 0.72 -1.51 0.00 0.00 177.10 176.46 3f9d s PHE 65 N 1.69 0.17 -0.07 2.20 -0.12 -0.75 -4.98 117.98 116.12 3f9d s PHE 65 Ca 0.03 -0.56 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3f9d s PHE 65 Cb -0.14 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3f9d s PHE 65 CO -0.08 -0.64 -0.17 0.21 -0.05 0.00 0.00 175.22 174.49 3f9d s LYS 66 N -3.89 2.71 0.12 1.99 2.20 -1.26 -0.17 119.74 121.43 3f9d s LYS 66 Ca 0.09 -0.75 -0.35 0.00 -0.36 0.00 0.00 55.97 54.60 3f9d s LYS 66 Cb 0.04 -2.38 -0.14 0.00 -1.51 0.00 0.00 37.83 33.84 3f9d s LYS 66 CO -0.07 0.47 1.55 0.28 -0.36 0.00 0.00 175.35 177.22 3f9d n VAL 67 N 2.74 0.05 -0.36 4.02 0.31 -0.18 -1.35 118.33 123.56 3f9d n VAL 67 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3f9d n VAL 67 Cb 0.52 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3f9d n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f9d n GLY 68 N 3.31 0.98 3.24 2.92 0.00 0.20 -5.01 105.19 110.83 3f9d n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3f9d n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 69 N -0.49 3.12 0.46 1.61 2.02 -0.46 -4.99 118.70 119.97 3f9d s GLU 69 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 3f9d s GLU 69 Cb 0.00 -2.41 -0.08 0.00 0.10 0.00 0.00 34.13 31.74 3f9d s GLU 69 CO 0.00 0.14 1.38 -1.21 0.02 0.00 0.00 175.26 175.59 3f9d s GLU 70 N 0.47 3.65 0.23 1.61 2.02 -1.26 -4.55 118.70 120.86 3f9d s GLU 70 Ca -0.14 2.32 -0.04 0.00 0.02 0.00 0.00 54.97 57.12 3f9d s GLU 70 Cb -0.17 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 3f9d s GLU 70 CO 0.06 -0.81 0.26 -0.59 0.02 0.00 0.00 175.26 174.20 3f9d s PHE 71 N -1.24 0.95 -0.10 1.61 -0.71 -0.27 -4.97 117.98 113.26 3f9d s PHE 71 Ca 0.62 -1.20 -0.03 0.00 -1.04 0.00 0.00 56.93 55.29 3f9d s PHE 71 Cb -0.42 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.04 3f9d s PHE 71 CO 0.53 -0.79 0.02 -1.21 -1.34 0.00 0.00 175.22 172.43 3f9d s GLU 72 N -4.02 3.11 0.28 1.99 0.41 -1.26 -0.14 118.70 119.06 3f9d s GLU 72 Ca 0.34 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 3f9d s GLU 72 Cb 0.04 -2.87 -0.00 0.00 -1.78 0.00 0.00 34.13 29.52 3f9d s GLU 72 CO 0.12 0.68 0.35 0.39 -0.49 0.00 0.00 175.26 176.31 3f9d n GLU 73 N 2.23 0.50 -4.38 1.61 1.02 -0.69 -4.93 120.64 116.00 3f9d n GLU 73 Ca -0.19 -2.33 -0.25 0.00 -0.02 0.00 0.00 57.16 54.37 3f9d n GLU 73 Cb 0.54 2.16 -0.12 0.00 -0.02 0.00 0.00 31.44 34.00 3f9d n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3f9d s GLN 74 N -2.74 1.40 1.11 3.49 -0.21 -1.26 -1.12 119.66 120.32 3f9d s GLN 74 Ca 0.25 -1.45 -0.14 0.00 0.02 0.00 0.00 55.36 54.04 3f9d s GLN 74 Cb -0.00 -1.62 0.25 0.00 1.00 0.00 0.00 33.01 32.63 3f9d s GLN 74 CO 0.18 0.35 1.06 0.95 -2.12 0.00 0.00 175.29 175.71 3f9d s THR 75 N -1.76 1.93 0.43 -0.19 -4.23 0.45 -4.84 115.64 107.43 3f9d s THR 75 Ca 0.18 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.88 3f9d s THR 75 Cb -0.07 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.65 3f9d s THR 75 CO 0.08 0.00 2.01 -0.37 -0.54 0.00 0.00 174.62 175.80 3f9d h VAL 76 N -2.32 0.94 -0.01 2.29 -1.51 -2.00 0.33 116.25 113.97 3f9d h VAL 76 Ca -0.56 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3f9d h VAL 76 Cb 1.33 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3f9d h VAL 76 CO 0.52 0.17 -0.05 -0.90 -1.23 0.00 0.00 177.57 176.09 3f9d n ASP 77 N -4.06 1.09 0.00 4.19 5.75 -1.26 -4.95 116.55 117.32 3f9d n ASP 77 Ca -0.02 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3f9d n ASP 77 Cb 0.26 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3f9d n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f9d n GLY 78 N 1.18 1.12 3.81 6.12 0.00 0.11 -5.07 105.19 112.46 3f9d n GLY 78 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3f9d n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f9d s ARG 79 N -0.40 4.03 0.36 1.61 0.52 -1.26 -4.78 118.95 119.04 3f9d s ARG 79 Ca 0.00 0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 55.39 3f9d s ARG 79 Cb 0.00 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 32.11 3f9d s ARG 79 CO 0.00 0.60 1.31 -2.14 0.02 0.00 0.00 175.30 175.09 3f9d s PRO 80 N -0.80 4.20 0.11 3.54 0.02 -1.26 -0.41 135.00 140.40 3f9d s PRO 80 Ca 0.25 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.39 3f9d s PRO 80 Cb -0.17 -2.95 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 3f9d s PRO 80 CO 0.14 -0.31 0.19 0.00 -0.33 0.00 0.00 177.00 176.69 3f9d s LYS 82 N -3.90 3.62 0.17 0.00 2.20 -0.30 -1.70 119.74 119.83 3f9d s LYS 82 Ca 0.09 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.26 3f9d s LYS 82 Cb 0.05 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3f9d s LYS 82 CO -0.08 -0.08 0.02 -1.12 -0.36 0.00 0.00 175.35 173.74 3f9d s SER 83 N 1.27 4.91 -0.19 1.43 0.01 0.80 -0.25 113.70 121.67 3f9d s SER 83 Ca 0.04 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.90 3f9d s SER 83 Cb -0.15 -1.09 0.09 0.00 0.21 0.00 0.00 66.02 65.09 3f9d s SER 83 CO 0.02 0.08 0.37 -0.22 0.41 0.00 0.00 173.24 173.90 3f9d s LEU 84 N -2.98 -0.55 -0.05 2.44 2.96 -0.51 -1.11 118.68 118.87 3f9d s LEU 84 Ca 0.28 0.72 -0.13 0.00 -0.22 0.00 0.00 54.13 54.78 3f9d s LEU 84 Cb -0.09 1.13 -0.05 0.00 0.50 0.00 0.00 46.19 47.68 3f9d s LEU 84 CO 0.19 -0.25 0.33 -0.69 -1.32 0.00 0.00 176.35 174.62 3f9d s VAL 85 N 2.55 5.18 0.04 1.68 1.01 -1.26 -1.67 120.40 127.92 3f9d s VAL 85 Ca 0.02 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3f9d s VAL 85 Cb -0.13 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3f9d s VAL 85 CO -0.12 0.56 -0.09 -0.54 0.00 0.00 0.00 175.10 174.91 3f9d s LYS 86 N -0.85 0.60 -0.02 2.72 1.02 -0.63 -0.63 119.74 121.94 3f9d s LYS 86 Ca 0.21 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 3f9d s LYS 86 Cb -0.15 -0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 3f9d s LYS 86 CO 0.10 0.10 1.20 -1.58 -0.92 0.00 0.00 175.35 174.25 3f9d s TRP 87 N -1.11 3.25 -0.06 3.18 0.52 -1.26 -1.06 118.94 122.41 3f9d s TRP 87 Ca -0.06 1.24 -0.11 0.00 0.02 0.00 0.00 56.10 57.19 3f9d s TRP 87 Cb -0.08 -3.42 -0.30 0.00 -1.15 0.00 0.00 33.47 28.52 3f9d s TRP 87 CO 0.01 -1.29 0.64 1.49 0.02 0.00 0.00 176.95 177.81 3f9d h GLU 88 N 7.29 0.38 0.00 4.98 4.81 -1.12 -3.47 114.58 127.45 3f9d h GLU 88 Ca -0.36 -0.65 -0.04 0.00 -0.13 0.00 0.00 59.36 58.18 3f9d h GLU 88 Cb 1.18 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 3f9d h GLU 88 CO 0.86 1.31 -0.02 -1.13 -0.73 0.00 0.00 179.01 179.30 3f9d n SER 89 N -3.61 -0.19 -0.37 1.04 3.41 -1.04 -5.00 113.62 107.86 3f9d n SER 89 Ca -0.25 -1.28 0.03 0.00 -0.26 0.00 0.00 58.87 57.11 3f9d n SER 89 Cb 1.06 0.37 0.19 0.00 -0.26 0.00 0.00 64.21 65.57 3f9d n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3f9d h GLU 90 N 0.00 1.12 -0.07 4.33 4.57 -2.02 -3.11 114.58 119.40 3f9d h GLU 90 Ca -0.04 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3f9d h GLU 90 Cb 0.17 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3f9d h GLU 90 CO 0.05 0.74 -0.02 0.27 -1.18 0.00 0.00 179.01 178.87 3f9d n ASN 91 N -4.52 2.69 -3.76 1.04 6.94 -1.26 -4.67 115.26 111.72 3f9d n ASN 91 Ca 0.16 -3.11 -0.15 0.00 -0.02 0.00 0.00 54.58 51.46 3f9d n ASN 91 Cb 0.21 -0.46 -0.16 0.00 -2.36 0.00 0.00 39.78 37.02 3f9d n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3f9d s LYS 92 N -2.89 -0.00 0.12 -3.83 2.20 -1.18 -0.56 119.74 113.61 3f9d s LYS 92 Ca 0.35 0.26 0.09 0.00 -0.36 0.00 0.00 55.97 56.31 3f9d s LYS 92 Cb 0.30 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 3f9d s LYS 92 CO 0.04 -0.18 -0.21 0.00 -0.36 0.00 0.00 175.35 174.65 3f9d s MET 93 N 1.17 1.68 -0.07 4.03 0.23 -0.43 -0.49 119.30 125.42 3f9d s MET 93 Ca -0.08 -1.22 0.03 0.00 -1.03 0.00 0.00 55.69 53.38 3f9d s MET 93 Cb -0.13 -2.05 0.01 0.00 -1.53 0.00 0.00 34.83 31.13 3f9d s MET 93 CO -0.04 0.47 -0.15 0.08 -2.03 0.00 0.00 175.02 173.35 3f9d s VAL 94 N -1.12 1.35 -0.33 5.16 1.01 -0.22 -1.56 120.40 124.69 3f9d s VAL 94 Ca 0.17 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3f9d s VAL 94 Cb -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.08 3f9d s VAL 94 CO 0.09 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.76 3f9d s GLU 96 N 1.59 4.32 -0.10 0.00 2.02 -0.67 -2.53 118.70 123.32 3f9d s GLU 96 Ca 0.04 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.92 3f9d s GLU 96 Cb -0.18 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 30.93 3f9d s GLU 96 CO 0.06 0.55 -0.10 -0.65 0.02 0.00 0.00 175.26 175.15 3f9d s GLN 97 N -1.38 1.66 -0.29 1.61 -0.21 -1.25 -1.43 119.66 118.37 3f9d s GLN 97 Ca 0.35 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.29 3f9d s GLN 97 Cb -0.20 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 3f9d s GLN 97 CO 0.22 -0.18 0.19 0.15 -2.12 0.00 0.00 175.29 173.55 3f9d s LYS 98 N 1.39 3.79 0.08 2.91 1.02 0.65 -4.59 119.74 125.00 3f9d s LYS 98 Ca -0.01 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 3f9d s LYS 98 Cb -0.13 -3.66 -0.07 0.00 -0.52 0.00 0.00 37.83 33.44 3f9d s LYS 98 CO -0.05 -0.25 1.40 -0.51 -0.92 0.00 0.00 175.35 175.02 3f9d s LEU 99 N 1.73 4.36 0.16 3.17 1.43 -1.26 -1.15 118.68 127.12 3f9d s LEU 99 Ca 0.07 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 3f9d s LEU 99 Cb -0.16 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.54 3f9d s LEU 99 CO 0.10 -0.67 1.80 0.25 0.23 0.00 0.00 176.35 178.06 3f9d h LEU 100 N 7.26 0.41 -0.29 1.79 5.85 -1.73 -2.97 115.31 125.64 3f9d h LEU 100 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3f9d h LEU 100 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3f9d h LEU 100 CO 0.87 0.30 -0.60 0.29 -0.34 0.00 0.00 178.44 178.96 3f9d n LYS 101 N -4.84 0.40 -1.13 1.25 5.02 -1.26 -4.97 118.16 112.62 3f9d n LYS 101 Ca 0.02 -0.29 -0.04 0.00 -2.02 0.00 0.00 58.31 55.98 3f9d n LYS 101 Cb 0.07 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 3f9d n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f9d n GLY 102 N 1.45 0.65 3.75 0.72 0.00 -1.12 -5.00 105.19 105.64 3f9d n GLY 102 Ca 0.07 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3f9d n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 103 N -1.81 3.10 0.00 1.61 2.02 -1.26 -5.02 118.70 117.33 3f9d s GLU 103 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3f9d s GLU 103 Cb 0.00 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3f9d s GLU 103 CO 0.00 0.71 0.00 0.41 0.02 0.00 0.00 175.26 176.40 3f9d n GLY 104 N 1.91 -0.51 3.71 -1.39 0.00 -1.26 -4.95 105.19 102.69 3f9d n GLY 104 Ca -0.18 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3f9d n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f9d n PRO 105 N -0.54 2.15 -2.44 1.61 -0.02 -1.26 -4.96 135.00 129.54 3f9d n PRO 105 Ca 0.00 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 3f9d n PRO 105 Cb 0.00 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 3f9d n PRO 105 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3f9d s LYS 106 N -2.03 4.52 0.18 -0.52 1.02 -1.26 -4.72 119.74 116.93 3f9d s LYS 106 Ca 0.57 1.81 0.07 0.00 0.02 0.00 0.00 55.97 58.44 3f9d s LYS 106 Cb -0.53 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 3f9d s LYS 106 CO 0.61 0.10 -0.14 0.95 -0.92 0.00 0.00 175.35 175.95 3f9d s THR 107 N -1.23 1.59 0.21 2.17 -4.23 -1.26 -0.72 115.64 112.18 3f9d s THR 107 Ca 0.47 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 3f9d s THR 107 Cb -0.32 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.60 3f9d s THR 107 CO 0.41 -0.58 0.46 -0.94 -0.54 0.00 0.00 174.62 173.42 3f9d s SER 108 N -3.14 -0.12 0.05 3.99 1.04 -1.11 -3.82 113.70 110.59 3f9d s SER 108 Ca 0.19 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 3f9d s SER 108 Cb -0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3f9d s SER 108 CO 0.05 -1.06 -0.03 -1.66 0.98 0.00 0.00 173.24 171.52 3f9d s TRP 109 N -3.96 0.50 0.02 5.02 1.48 -1.05 -1.74 118.94 119.22 3f9d s TRP 109 Ca 0.16 -1.03 -0.01 0.00 -1.06 0.00 0.00 56.10 54.16 3f9d s TRP 109 Cb -0.00 -0.37 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 3f9d s TRP 109 CO 0.03 -0.37 -0.01 0.95 -4.06 0.00 0.00 176.95 173.49 3f9d s THR 110 N -3.80 0.12 -0.04 0.66 -4.23 0.39 -0.20 115.64 108.54 3f9d s THR 110 Ca 0.06 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 3f9d s THR 110 Cb 0.07 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.44 3f9d s THR 110 CO -0.10 -0.56 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.56 3f9d s LEU 111 N -1.68 1.73 -0.01 4.79 1.43 -0.60 -1.70 118.68 122.65 3f9d s LEU 111 Ca -0.12 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3f9d s LEU 111 Cb -0.07 -0.65 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 3f9d s LEU 111 CO -0.02 0.06 -0.05 -0.70 0.23 0.00 0.00 176.35 175.87 3f9d s GLU 112 N 0.32 0.46 -0.23 1.70 2.12 -0.23 -1.32 118.70 121.52 3f9d s GLU 112 Ca -0.06 -0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.00 3f9d s GLU 112 Cb -0.11 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.78 3f9d s GLU 112 CO 0.01 0.09 0.14 -0.51 -0.54 0.00 0.00 175.26 174.45 3f9d s LEU 113 N -0.00 4.01 0.44 2.70 1.43 0.28 -0.02 118.68 127.51 3f9d s LEU 113 Ca 0.01 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3f9d s LEU 113 Cb -0.03 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3f9d s LEU 113 CO -0.00 0.07 0.71 0.42 0.23 0.00 0.00 176.35 177.78 3f9d s THR 114 N 1.05 4.94 -1.62 5.49 -4.23 0.43 -4.86 115.64 116.84 3f9d s THR 114 Ca 0.07 -0.01 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 3f9d s THR 114 Cb -0.14 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.13 3f9d s THR 114 CO 0.04 -0.75 1.30 0.59 -0.54 0.00 0.00 174.62 175.26 3f9d n ASN 115 N -2.12 0.00 -1.30 3.99 3.02 -1.26 -2.01 115.26 115.58 3f9d n ASN 115 Ca -0.01 -0.08 0.10 0.00 -0.03 0.00 0.00 54.58 54.56 3f9d n ASN 115 Cb 0.55 -0.19 0.31 0.00 -0.61 0.00 0.00 39.78 39.84 3f9d n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3f9d n ASP 116 N -1.19 4.03 -0.46 6.41 8.00 -1.26 -4.95 116.55 127.12 3f9d n ASP 116 Ca 0.08 -2.14 -0.05 0.00 0.71 0.00 0.00 54.79 53.39 3f9d n ASP 116 Cb 0.08 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 3f9d n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f9d n GLY 117 N 1.30 0.44 3.77 0.44 0.00 -0.85 -5.05 105.19 105.23 3f9d n GLY 117 Ca 0.23 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 3f9d n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9d s GLU 118 N -3.40 2.97 -0.20 1.61 2.02 -1.26 -4.44 118.70 116.01 3f9d s GLU 118 Ca 0.00 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.36 3f9d s GLU 118 Cb 0.00 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3f9d s GLU 118 CO 0.00 0.62 0.03 -1.17 0.02 0.00 0.00 175.26 174.76 3f9d s LEU 119 N -1.93 3.49 -0.22 1.80 2.96 -0.52 -0.43 118.68 123.82 3f9d s LEU 119 Ca 0.25 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3f9d s LEU 119 Cb -0.12 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3f9d s LEU 119 CO 0.16 0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.57 3f9d s ILE 120 N 0.81 2.83 -0.23 6.68 1.01 0.97 -1.58 121.20 131.68 3f9d s ILE 120 Ca 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3f9d s ILE 120 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3f9d s ILE 120 CO 0.02 0.38 0.15 -0.22 0.00 0.00 0.00 174.94 175.27 3f9d s LEU 121 N 1.37 4.13 -0.05 2.97 2.96 -0.18 -1.07 118.68 128.83 3f9d s LEU 121 Ca 0.04 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3f9d s LEU 121 Cb -0.15 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3f9d s LEU 121 CO -0.06 0.10 -0.17 0.42 -1.32 0.00 0.00 176.35 175.32 3f9d s THR 122 N 0.85 2.83 -0.04 3.68 -4.23 -0.69 -0.63 115.64 117.41 3f9d s THR 122 Ca 0.08 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 3f9d s THR 122 Cb -0.13 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 3f9d s THR 122 CO 0.03 0.59 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.46 3f9d s MET 123 N -0.66 1.87 0.08 3.99 -1.94 0.02 -0.46 119.30 122.20 3f9d s MET 123 Ca 0.10 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.48 3f9d s MET 123 Cb -0.11 -1.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 3f9d s MET 123 CO 0.00 0.30 -0.20 0.95 -0.01 0.00 0.00 175.02 176.06 3f9d s THR 124 N -0.09 1.66 -0.15 2.05 -4.23 -0.71 -0.35 115.64 113.82 3f9d s THR 124 Ca -0.02 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3f9d s THR 124 Cb -0.11 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.30 3f9d s THR 124 CO 0.02 0.04 0.07 0.00 -0.54 0.00 0.00 174.62 174.21 3f9d s ALA 125 N -1.02 0.47 0.00 3.99 0.00 -0.26 -2.73 121.76 122.21 3f9d s ALA 125 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3f9d s ALA 125 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3f9d s ALA 125 CO 0.03 -1.03 0.00 -0.25 0.00 0.00 0.00 175.76 174.51 3f9d n ASP 126 N 5.25 0.00 -1.20 0.00 8.00 0.11 -0.56 116.55 128.15 3f9d n ASP 126 Ca -0.07 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.55 3f9d n ASP 126 Cb 0.49 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.85 3f9d n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3f9d n ASP 127 N 5.29 3.65 -4.79 -2.24 5.75 -1.26 -4.92 116.55 118.02 3f9d n ASP 127 Ca 0.00 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.41 3f9d n ASP 127 Cb 0.00 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 39.66 3f9d n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3f9d s VAL 128 N -1.18 4.95 -0.10 2.12 1.01 0.28 -5.06 120.40 122.42 3f9d s VAL 128 Ca 0.42 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.45 3f9d s VAL 128 Cb 0.23 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3f9d s VAL 128 CO 0.31 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 175.08 3f9d s VAL 129 N -0.60 1.33 -0.07 2.92 1.01 -1.26 -1.11 120.40 122.62 3f9d s VAL 129 Ca 0.27 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3f9d s VAL 129 Cb -0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3f9d s VAL 129 CO 0.15 0.41 0.02 0.00 0.00 0.00 0.00 175.10 175.68 3f9d s THR 131 N -0.95 1.54 0.06 0.00 2.01 -0.35 -0.80 115.64 117.15 3f9d s THR 131 Ca 0.15 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.54 3f9d s THR 131 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3f9d s THR 131 CO 0.04 0.45 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.64 3f9d s LYS 132 N 0.62 1.80 -0.07 4.92 1.02 0.20 0.40 119.74 128.63 3f9d s LYS 132 Ca -0.14 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 54.76 3f9d s LYS 132 Cb -0.16 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3f9d s LYS 132 CO 0.04 0.51 -0.16 0.08 -0.92 0.00 0.00 175.35 174.91 3f9d s VAL 133 N -0.88 1.39 0.14 3.17 1.01 0.51 -1.01 120.40 124.73 3f9d s VAL 133 Ca 0.13 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3f9d s VAL 133 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3f9d s VAL 133 CO 0.04 0.41 -0.19 -0.31 0.00 0.00 0.00 175.10 175.05 3f9d s TYR 134 N 0.47 1.76 0.31 5.22 1.51 -0.62 0.59 117.35 126.59 3f9d s TYR 134 Ca -0.13 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 3f9d s TYR 134 Cb -0.15 -0.91 -0.06 0.00 -0.11 0.00 0.00 41.96 40.73 3f9d s TYR 134 CO 0.05 0.27 0.03 0.14 -1.11 0.00 0.00 175.55 174.92 3f9d s VAL 135 N -1.77 1.26 0.33 0.71 -7.23 -0.30 -1.44 120.40 111.96 3f9d s VAL 135 Ca 0.12 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 3f9d s VAL 135 Cb -0.07 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 3f9d s VAL 135 CO 0.05 -0.10 1.15 -0.13 -0.31 0.00 0.00 175.10 175.77 3f9d s ARG 136 N -3.86 4.38 0.00 4.82 0.52 -1.26 -0.26 118.95 123.29 3f9d s ARG 136 Ca 0.34 1.86 0.01 0.00 -0.52 0.00 0.00 55.73 57.42 3f9d s ARG 136 Cb 0.08 -2.96 0.07 0.00 0.52 0.00 0.00 34.95 32.65 3f9d s ARG 136 CO 0.14 -0.04 0.56 -0.85 0.02 0.00 0.00 175.30 175.13