#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 h LYS 2 N 0.00 0.16 -0.01 0.00 1.57 -1.97 0.98 116.57 117.30 3df4 h LYS 2 Ca 0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 3df4 h LYS 2 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3df4 h LYS 2 CO 0.00 0.10 -0.84 1.25 -0.57 0.00 0.00 179.45 179.40 3df4 h LEU 3 N 0.16 0.28 0.09 2.94 7.12 -1.96 -2.42 115.31 121.51 3df4 h LEU 3 Ca 0.28 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 58.08 3df4 h LEU 3 Cb 0.42 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 3df4 h LEU 3 CO -0.42 0.99 -0.33 -0.74 -0.13 0.00 0.00 178.44 177.81 3df4 h HIS 4 N 0.13 -0.95 -0.55 1.25 2.76 -1.20 0.33 115.15 116.93 3df4 h HIS 4 Ca -0.04 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3df4 h HIS 4 Cb 1.44 0.40 -0.03 0.00 1.55 0.00 0.00 27.41 30.78 3df4 h HIS 4 CO 0.03 -0.37 0.12 -0.44 -1.30 0.00 0.00 177.93 175.97 3df4 h ASP 5 N -0.47 0.80 -0.96 3.26 5.19 -1.28 -1.88 116.42 121.07 3df4 h ASP 5 Ca -0.01 -0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.43 3df4 h ASP 5 Cb 0.47 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 39.69 3df4 h ASP 5 CO -0.17 0.79 0.61 0.22 -3.12 0.00 0.00 179.24 177.56 3df4 h TYR 6 N 0.82 0.92 0.00 4.55 5.03 -0.86 0.36 116.97 127.78 3df4 h TYR 6 Ca 0.18 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.52 3df4 h TYR 6 Cb 0.31 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.31 3df4 h TYR 6 CO 0.02 0.27 0.00 0.98 -1.32 0.00 0.00 178.16 178.11 3df4 n TYR 7 N -4.64 0.00 -0.28 -3.82 9.36 0.11 -1.13 117.16 116.77 3df4 n TYR 7 Ca 0.20 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.51 3df4 n TYR 7 Cb 0.54 -0.35 0.22 0.00 -0.63 0.00 0.00 39.34 39.12 3df4 n TYR 7 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 3df4 h LYS 8 N 0.00 0.14 0.00 2.98 2.10 -1.36 0.24 116.57 120.67 3df4 h LYS 8 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3df4 h LYS 8 Cb 0.00 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3df4 h LYS 8 CO 0.00 0.09 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 3df4 n ASP 9 N -5.31 0.00 0.26 7.07 10.43 0.12 -4.58 116.55 124.54 3df4 n ASP 9 Ca 0.17 0.03 -0.17 0.00 2.57 0.00 0.00 54.79 57.39 3df4 n ASP 9 Cb 0.58 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.44 3df4 n ASP 9 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3df4 h GLU 10 N 0.00 -0.90 0.00 -1.24 4.22 -1.21 -3.40 114.58 112.04 3df4 h GLU 10 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 3df4 h GLU 10 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3df4 h GLU 10 CO 0.00 -0.60 0.00 0.28 -2.18 0.00 0.00 179.01 176.51 3df4 n VAL 11 N -5.36 0.00 0.00 0.32 0.31 0.06 -3.58 118.33 110.08 3df4 n VAL 11 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3df4 n VAL 11 Cb 0.44 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3df4 n VAL 11 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df4 n VAL 12 N -0.75 0.00 -0.19 2.52 0.31 -1.17 -3.64 118.33 115.42 3df4 n VAL 12 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 12 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 3df4 n VAL 12 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3df4 h LYS 13 N 0.00 0.15 -1.00 5.55 2.10 -1.78 1.26 116.57 122.85 3df4 h LYS 13 Ca 0.00 -0.01 0.21 0.00 -2.00 0.00 0.00 60.65 58.85 3df4 h LYS 13 Cb 0.00 -0.03 -0.11 0.00 -0.90 0.00 0.00 32.23 31.19 3df4 h LYS 13 CO 0.00 0.10 0.61 -0.22 -2.00 0.00 0.00 179.45 177.94 3df4 h LYS 14 N 0.16 0.66 0.17 0.07 3.11 -1.62 0.25 116.57 119.37 3df4 h LYS 14 Ca 0.30 -0.04 -0.31 0.00 -2.81 0.00 0.00 60.65 57.79 3df4 h LYS 14 Cb 0.46 -0.15 0.03 0.00 -1.00 0.00 0.00 32.23 31.57 3df4 h LYS 14 CO -0.45 0.44 -1.33 -0.07 -2.81 0.00 0.00 179.45 175.22 3df4 h LEU 15 N 0.68 0.77 -1.59 5.20 3.38 -0.64 0.11 115.31 123.22 3df4 h LEU 15 Ca 0.60 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3df4 h LEU 15 Cb 1.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3df4 h LEU 15 CO -0.40 1.59 0.09 0.24 0.09 0.00 0.00 178.44 180.06 3df4 h MET 16 N 0.19 0.00 0.00 1.13 2.86 0.47 1.21 114.93 120.79 3df4 h MET 16 Ca -0.20 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 3df4 h MET 16 Cb 2.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.66 3df4 h MET 16 CO 0.25 0.00 -1.33 0.25 1.06 0.00 0.00 176.91 177.14 3df4 n THR 17 N -2.38 0.33 -0.06 2.22 -2.24 -0.27 -2.66 114.28 109.22 3df4 n THR 17 Ca -0.02 -0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 3df4 n THR 17 Cb 0.13 -0.77 0.11 0.00 -2.10 0.00 0.00 70.33 67.70 3df4 n THR 17 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3df4 h GLU 18 N -0.02 0.70 0.00 -0.78 4.81 -0.45 -3.30 114.58 115.53 3df4 h GLU 18 Ca -0.13 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3df4 h GLU 18 Cb 1.20 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 3df4 h GLU 18 CO -0.03 0.88 -1.33 1.19 -0.73 0.00 0.00 179.01 179.00 3df4 n PHE 19 N -4.10 0.00 -2.85 0.92 3.01 0.39 -5.03 117.46 109.80 3df4 n PHE 19 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 3df4 n PHE 19 Cb 0.44 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3df4 n PHE 19 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3df4 n ASN 20 N -1.79 -7.66 -4.70 4.37 5.15 0.30 -4.96 115.26 105.97 3df4 n ASN 20 Ca -0.02 1.15 -0.35 0.00 -0.60 0.00 0.00 54.58 54.76 3df4 n ASN 20 Cb 0.23 -4.38 -0.09 0.00 -0.53 0.00 0.00 39.78 35.02 3df4 n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3df4 s TYR 21 N -1.50 3.36 0.30 1.20 2.02 -1.24 -4.97 117.35 116.52 3df4 s TYR 21 Ca 0.01 0.25 0.06 0.00 -0.37 0.00 0.00 57.07 57.02 3df4 s TYR 21 Cb -0.00 -2.15 0.76 0.00 -0.40 0.00 0.00 41.96 40.17 3df4 s TYR 21 CO 0.59 0.23 1.74 -0.91 -1.57 0.00 0.00 175.55 175.64 3df4 h ASN 22 N 6.76 0.62 -4.30 2.29 2.35 -1.94 -3.41 115.58 117.94 3df4 h ASN 22 Ca -0.40 0.12 -0.42 0.00 -0.55 0.00 0.00 56.30 55.05 3df4 h ASN 22 Cb 1.16 0.03 -0.25 0.00 0.05 0.00 0.00 38.32 39.30 3df4 h ASN 22 CO 0.74 0.15 -0.79 -0.55 -1.65 0.00 0.00 177.43 175.33 3df4 s SER 23 N -5.29 1.48 0.42 5.81 0.15 -1.26 -5.02 113.70 110.00 3df4 s SER 23 Ca -0.11 -0.40 0.21 0.00 0.70 0.00 0.00 55.95 56.35 3df4 s SER 23 Cb 0.25 -0.10 1.16 0.00 -1.71 0.00 0.00 66.02 65.62 3df4 s SER 23 CO 0.79 0.04 1.80 1.62 1.20 0.00 0.00 173.24 178.69 3df4 h VAL 24 N 4.60 0.55 0.00 4.45 3.04 -2.03 -2.49 116.25 124.38 3df4 h VAL 24 Ca -0.36 -0.12 -0.46 0.00 -1.01 0.00 0.00 66.70 64.75 3df4 h VAL 24 Cb 1.18 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3df4 h VAL 24 CO 0.45 0.06 2.34 0.80 -1.01 0.00 0.00 177.57 180.21 3df4 n MET 25 N -4.54 2.80 0.00 4.17 0.00 -1.26 -3.08 117.12 115.21 3df4 n MET 25 Ca 0.23 -1.65 0.00 0.00 -0.00 0.00 0.00 57.70 56.28 3df4 n MET 25 Cb 0.87 -2.47 0.00 0.00 0.00 0.00 0.00 33.22 31.62 3df4 n MET 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3df4 n GLN 26 N 3.38 0.00 -1.56 2.12 1.13 -0.94 -5.08 117.38 116.43 3df4 n GLN 26 Ca 0.60 0.00 -0.56 0.00 -1.94 0.00 0.00 57.00 55.10 3df4 n GLN 26 Cb 0.39 -0.36 -0.08 0.00 0.11 0.00 0.00 30.24 30.31 3df4 n GLN 26 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3df4 n VAL 27 N -1.24 0.22 -1.51 5.09 0.24 -1.18 -4.68 118.33 115.27 3df4 n VAL 27 Ca 0.00 -0.11 -0.28 0.00 -2.04 0.00 0.00 64.34 61.91 3df4 n VAL 27 Cb 0.00 -1.26 -0.17 0.00 -1.47 0.00 0.00 33.84 30.94 3df4 n VAL 27 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3df4 n PRO 28 N 6.62 0.14 -1.12 7.34 -0.02 -1.26 -4.89 135.00 141.80 3df4 n PRO 28 Ca 0.36 -0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 3df4 n PRO 28 Cb 0.14 -1.63 0.21 0.00 -0.02 0.00 0.00 33.50 32.20 3df4 n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3df4 s ARG 29 N 7.94 -0.48 -0.37 -0.52 3.00 -1.26 -4.78 118.95 122.47 3df4 s ARG 29 Ca 1.27 0.19 -0.25 0.00 0.00 0.00 0.00 55.73 56.94 3df4 s ARG 29 Cb -0.85 -1.66 0.01 0.00 0.00 0.00 0.00 34.95 32.45 3df4 s ARG 29 CO 0.47 -3.27 0.86 0.08 0.00 0.00 0.00 175.30 173.44 3df4 s VAL 30 N -2.99 4.65 -1.15 3.52 1.01 -1.26 -2.71 120.40 121.46 3df4 s VAL 30 Ca 0.68 1.01 -0.10 0.00 0.00 0.00 0.00 61.98 63.58 3df4 s VAL 30 Cb -0.14 -4.28 0.24 0.00 0.00 0.00 0.00 36.38 32.20 3df4 s VAL 30 CO 0.57 -0.51 1.31 1.21 0.00 0.00 0.00 175.10 177.68 3df4 n GLU 31 N 6.63 3.62 -0.57 2.72 4.07 -1.13 -4.87 120.64 131.11 3df4 n GLU 31 Ca 0.05 -4.23 0.00 0.00 -0.06 0.00 0.00 57.16 52.93 3df4 n GLU 31 Cb 0.48 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 3df4 n GLU 31 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3df4 n LYS 32 N 3.47 0.00 -2.32 5.31 0.00 -1.26 -4.39 118.16 118.97 3df4 n LYS 32 Ca 0.29 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.31 3df4 n LYS 32 Cb 0.39 -0.26 0.01 0.00 -0.00 0.00 0.00 35.03 35.17 3df4 n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3df4 s ILE 33 N -1.32 4.77 0.00 0.58 1.01 -1.26 -4.50 121.20 120.47 3df4 s ILE 33 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.11 3df4 s ILE 33 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3df4 s ILE 33 CO 0.00 -0.95 0.00 0.35 0.00 0.00 0.00 174.94 174.34 3df4 n THR 34 N -2.47 0.00 -4.32 2.92 -2.24 0.20 0.79 114.28 109.16 3df4 n THR 34 Ca 0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3df4 n THR 34 Cb 0.55 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3df4 n THR 34 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3df4 n LEU 35 N -0.50 0.00 0.00 3.22 4.77 -1.26 -2.99 117.00 120.25 3df4 n LEU 35 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3df4 n LEU 35 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3df4 n LEU 35 CO 0.00 -0.25 0.00 -3.20 -1.33 0.00 0.00 177.39 172.61 3df4 n ASN 36 N -3.14 -0.03 -3.37 -1.43 5.15 -0.80 -3.96 115.26 107.68 3df4 n ASN 36 Ca 0.00 0.09 -0.15 0.00 -0.60 0.00 0.00 54.58 53.93 3df4 n ASN 36 Cb 0.00 0.14 0.01 0.00 -0.53 0.00 0.00 39.78 39.39 3df4 n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3df4 n MET 37 N -1.81 -1.60 -2.86 1.20 0.00 -1.25 -1.33 117.12 109.46 3df4 n MET 37 Ca 0.00 1.28 -0.36 0.00 -0.00 0.00 0.00 57.70 58.62 3df4 n MET 37 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 33.22 29.21 3df4 n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3df4 n GLY 38 N -1.38 5.71 0.35 -5.12 0.00 -1.26 -1.53 105.19 101.97 3df4 n GLY 38 Ca -0.12 -2.68 0.18 0.00 0.00 0.00 0.00 46.02 43.40 3df4 n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3df4 h VAL 39 N 2.72 0.62 0.00 1.61 3.04 -1.91 -3.47 116.25 118.87 3df4 h VAL 39 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 3df4 h VAL 39 Cb 0.45 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3df4 h VAL 39 CO 1.06 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.23 3df4 n GLY 40 N -1.52 2.43 6.64 3.17 0.00 0.11 -4.67 105.19 111.35 3df4 n GLY 40 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3df4 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3df4 n GLU 41 N 14.00 0.00 0.00 1.61 1.02 -1.26 -4.69 120.64 131.31 3df4 n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3df4 n GLU 41 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3df4 n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df4 n ALA 42 N 6.76 0.00 0.00 0.62 0.00 -1.26 -4.57 120.51 122.06 3df4 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3df4 n ILE 43 N 0.00 0.00 0.00 0.00 0.13 -1.26 0.18 119.36 118.41 3df4 n ILE 43 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3df4 n ILE 43 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3df4 n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3df4 n ALA 44 N 0.00 0.90 0.00 1.51 0.00 -1.26 -3.37 120.51 118.29 3df4 n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 44 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3df4 n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3df4 n ASP 45 N -1.23 0.08 0.00 0.00 4.64 0.48 -5.01 116.55 115.51 3df4 n ASP 45 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3df4 n ASP 45 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.16 3df4 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3df4 n LYS 46 N -2.02 -0.12 -0.03 -0.67 4.76 -0.96 -4.72 118.16 114.41 3df4 n LYS 46 Ca 0.00 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 3df4 n LYS 46 Cb 0.02 -4.39 -0.14 0.00 -1.84 0.00 0.00 35.03 28.68 3df4 n LYS 46 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3df4 n LYS 47 N -1.83 0.64 0.00 1.97 4.81 -1.26 -3.69 118.16 118.81 3df4 n LYS 47 Ca 0.00 0.27 0.08 0.00 -0.87 0.00 0.00 58.31 57.79 3df4 n LYS 47 Cb 0.03 -1.77 0.45 0.00 0.02 0.00 0.00 35.03 33.76 3df4 n LYS 47 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3df4 n LEU 48 N -3.05 0.00 -0.10 3.14 -0.00 -1.26 -2.32 117.00 113.40 3df4 n LEU 48 Ca -0.19 0.01 -0.22 0.00 -0.00 0.00 0.00 56.01 55.61 3df4 n LEU 48 Cb 1.06 -0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 44.35 3df4 n LEU 48 CO 0.45 -0.01 -0.60 -0.11 -0.00 0.00 0.00 177.39 177.12 3df4 n LEU 49 N -1.01 1.90 0.03 1.47 -0.00 -1.24 -2.96 117.00 115.18 3df4 n LEU 49 Ca 0.11 0.41 0.03 0.00 -0.00 0.00 0.00 56.01 56.56 3df4 n LEU 49 Cb 0.05 -0.96 0.39 0.00 -0.00 0.00 0.00 43.42 42.90 3df4 n LEU 49 CO 0.09 0.32 1.05 -2.24 -0.00 0.00 0.00 177.39 176.61 3df4 h ASP 50 N -0.96 0.42 0.23 1.96 2.03 -1.61 0.30 116.42 118.79 3df4 h ASP 50 Ca -0.38 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 55.87 3df4 h ASP 50 Cb 1.36 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3df4 h ASP 50 CO -0.22 0.40 -0.11 0.78 -1.03 0.00 0.00 179.24 179.06 3df4 h ASN 51 N 0.47 -0.27 -1.08 4.15 -0.26 -1.61 0.40 115.58 117.39 3df4 h ASN 51 Ca 0.12 0.01 0.29 0.00 -0.56 0.00 0.00 56.30 56.16 3df4 h ASN 51 Cb 0.12 0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 37.36 3df4 h ASN 51 CO -0.01 -0.18 0.72 0.00 -1.06 0.00 0.00 177.43 176.89 3df4 h ALA 52 N -1.84 2.46 -1.86 -0.83 0.00 -1.40 0.48 119.26 116.27 3df4 h ALA 52 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3df4 h ALA 52 Cb 0.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3df4 h ALA 52 CO 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.44 3df4 n ALA 53 N -2.54 -0.14 -0.44 0.00 0.00 0.10 -1.12 120.51 116.37 3df4 n ALA 53 Ca 0.26 0.00 0.38 0.00 0.00 0.00 0.00 53.44 54.08 3df4 n ALA 53 Cb 0.99 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.15 3df4 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 h ALA 54 N -2.00 3.08 0.47 0.00 0.00 0.17 0.69 119.26 121.68 3df4 h ALA 54 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3df4 h ALA 54 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3df4 h ALA 54 CO 0.00 -1.55 -0.23 0.22 0.00 0.00 0.00 179.25 177.69 3df4 h ASP 55 N 0.08 -0.54 -0.20 0.00 3.58 -0.01 0.03 116.42 119.36 3df4 h ASP 55 Ca 0.72 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 58.18 3df4 h ASP 55 Cb 2.58 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 43.74 3df4 h ASP 55 CO -0.14 -0.33 -0.01 -0.07 -2.88 0.00 0.00 179.24 175.81 3df4 h LEU 56 N -0.71 -0.11 -1.52 2.28 -0.00 0.19 0.12 115.31 115.56 3df4 h LEU 56 Ca -0.06 0.05 0.21 0.00 -0.00 0.00 0.00 57.88 58.07 3df4 h LEU 56 Cb 0.53 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.21 3df4 h LEU 56 CO 0.11 -0.03 0.60 0.00 -0.00 0.00 0.00 178.44 179.12 3df4 h ALA 57 N 1.18 2.23 -0.06 1.53 0.00 -0.83 1.22 119.26 124.54 3df4 h ALA 57 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3df4 h ALA 57 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3df4 h ALA 57 CO -0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 179.25 178.43 3df4 h ALA 58 N 1.61 0.09 -0.08 0.00 0.00 0.85 -2.30 119.26 119.43 3df4 h ALA 58 Ca 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3df4 h ALA 58 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3df4 h ALA 58 CO -0.18 -0.02 -0.06 0.82 0.00 0.00 0.00 179.25 179.81 3df4 h ILE 59 N -0.32 1.10 -2.42 0.00 2.04 0.17 -3.40 117.51 114.68 3df4 h ILE 59 Ca 0.00 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 3df4 h ILE 59 Cb 0.72 1.11 -0.31 0.00 -0.74 0.00 0.00 36.82 37.59 3df4 h ILE 59 CO 0.03 0.13 -0.49 -0.94 0.00 0.00 0.00 178.15 176.87 3df4 s SER 60 N -6.96 0.35 0.55 1.72 1.04 0.39 -5.03 113.70 105.76 3df4 s SER 60 Ca -0.05 0.43 0.34 0.00 0.48 0.00 0.00 55.95 57.15 3df4 s SER 60 Cb 0.16 0.93 1.49 0.00 0.10 0.00 0.00 66.02 68.70 3df4 s SER 60 CO 0.70 -0.27 1.81 1.23 0.98 0.00 0.00 173.24 177.69 3df4 h GLY 61 N 8.23 0.00 -6.47 7.32 0.00 -1.64 -3.31 103.07 107.21 3df4 h GLY 61 Ca -0.17 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 3df4 h GLY 61 CO 0.20 0.00 1.36 0.61 0.00 0.00 0.00 176.54 178.71 3df4 n GLN 62 N -4.07 2.00 -1.59 4.80 10.64 -1.26 -4.80 117.38 123.10 3df4 n GLN 62 Ca 0.21 0.63 -0.65 0.00 -1.83 0.00 0.00 57.00 55.36 3df4 n GLN 62 Cb 1.11 -2.95 -0.10 0.00 -0.86 0.00 0.00 30.24 27.43 3df4 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3df4 n LYS 63 N 8.06 0.00 -1.65 2.61 4.81 -1.26 -4.70 118.16 126.03 3df4 n LYS 63 Ca 0.29 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.26 3df4 n LYS 63 Cb 0.37 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 3df4 n LYS 63 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3df4 n PRO 64 N 4.78 1.92 -2.98 1.64 -0.02 -1.26 -4.94 135.00 134.14 3df4 n PRO 64 Ca 0.36 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 62.09 3df4 n PRO 64 Cb -0.05 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.01 3df4 n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3df4 s LEU 65 N 0.58 5.14 -0.16 2.45 2.96 -1.26 -4.97 118.68 123.42 3df4 s LEU 65 Ca 0.76 -1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 52.57 3df4 s LEU 65 Cb -0.72 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 3df4 s LEU 65 CO 0.44 -1.10 1.83 -0.51 -1.32 0.00 0.00 176.35 175.69 3df4 s ILE 66 N 2.71 3.39 0.68 6.68 2.07 -1.26 -2.72 121.20 132.75 3df4 s ILE 66 Ca 0.26 0.44 -0.05 0.00 -1.41 0.00 0.00 60.65 59.90 3df4 s ILE 66 Cb -0.11 -3.40 0.07 0.00 0.13 0.00 0.00 42.46 39.15 3df4 s ILE 66 CO -0.03 -0.16 0.97 0.42 -1.91 0.00 0.00 174.94 174.23 3df4 s THR 67 N 5.72 2.33 0.01 4.00 -4.23 0.17 -4.91 115.64 118.74 3df4 s THR 67 Ca 0.82 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3df4 s THR 67 Cb -0.31 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 3df4 s THR 67 CO 0.33 0.00 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.86 3df4 s LYS 68 N -5.16 0.13 1.01 3.99 1.02 -1.26 -3.28 119.74 116.19 3df4 s LYS 68 Ca 0.61 -0.23 -0.18 0.00 0.02 0.00 0.00 55.97 56.19 3df4 s LYS 68 Cb -0.10 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.21 3df4 s LYS 68 CO 0.44 -0.01 -0.30 0.00 -0.92 0.00 0.00 175.35 174.55 3df4 n ALA 69 N 2.53 -4.21 0.03 5.17 0.00 -0.21 -4.89 120.51 118.93 3df4 n ALA 69 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3df4 n ALA 69 Cb 0.58 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3df4 n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3df4 n ARG 70 N -0.14 0.00 0.32 0.00 0.00 -1.24 -4.37 116.66 111.23 3df4 n ARG 70 Ca 0.02 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.05 3df4 n ARG 70 Cb 0.60 -0.17 0.96 0.00 0.00 0.00 0.00 32.46 33.85 3df4 n ARG 70 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3df4 h LYS 71 N 0.00 0.00 0.00 -0.14 3.64 -1.94 -3.43 116.57 114.70 3df4 h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3df4 h LYS 71 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3df4 h LYS 71 CO 0.00 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.63 3df4 n SER 72 N -2.91 0.00 -4.72 4.20 2.88 -1.26 -4.80 113.62 107.01 3df4 n SER 72 Ca -0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.19 3df4 n SER 72 Cb 0.24 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.81 3df4 n SER 72 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3df4 s VAL 73 N 0.00 2.57 -0.12 2.46 1.01 -1.26 -2.84 120.40 122.22 3df4 s VAL 73 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3df4 s VAL 73 Cb 0.00 -2.63 0.11 0.00 0.00 0.00 0.00 36.38 33.87 3df4 s VAL 73 CO 0.00 -0.20 0.91 0.00 0.00 0.00 0.00 175.10 175.82 3df4 s ALA 74 N -2.39 -1.89 -2.00 5.51 0.00 -0.84 -4.90 121.76 115.24 3df4 s ALA 74 Ca 0.69 1.49 0.06 0.00 0.00 0.00 0.00 51.96 54.20 3df4 s ALA 74 Cb -0.24 -0.48 0.38 0.00 0.00 0.00 0.00 23.12 22.79 3df4 s ALA 74 CO 0.50 -0.34 0.88 0.41 0.00 0.00 0.00 175.76 177.21 3df4 n GLY 75 N 0.72 -0.56 0.99 0.00 0.00 -1.26 -2.84 105.19 102.24 3df4 n GLY 75 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3df4 n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df4 n PHE 76 N -0.68 0.00 0.00 1.61 3.72 -1.26 -5.13 117.46 115.72 3df4 n PHE 76 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3df4 n PHE 76 Cb 0.02 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3df4 n PHE 76 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3df4 n LYS 77 N -3.37 0.00 -1.61 -1.08 3.00 -1.13 -5.18 118.16 108.80 3df4 n LYS 77 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3df4 n LYS 77 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.23 3df4 n LYS 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3df4 n ILE 78 N 0.00 -3.60 -3.46 3.15 -0.00 -1.26 -1.99 119.36 112.20 3df4 n ILE 78 Ca 0.00 1.74 -0.20 0.00 -0.00 0.00 0.00 62.75 64.29 3df4 n ILE 78 Cb 0.00 -2.71 -0.12 0.00 -0.00 0.00 0.00 39.64 36.81 3df4 n ILE 78 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 3df4 s ARG 79 N -4.98 0.25 0.00 0.38 0.52 -1.13 -4.30 118.95 109.69 3df4 s ARG 79 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3df4 s ARG 79 Cb 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.52 3df4 s ARG 79 CO 0.00 -0.90 0.00 0.94 0.02 0.00 0.00 175.30 175.36 3df4 n GLN 80 N 5.30 0.00 0.00 3.54 -0.06 -1.25 -2.25 117.38 122.66 3df4 n GLN 80 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3df4 n GLN 80 Cb 0.47 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.65 3df4 n GLN 80 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3df4 n GLY 81 N 0.00 -2.63 0.93 1.69 0.00 -1.26 -3.34 105.19 100.58 3df4 n GLY 81 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3df4 n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df4 n TYR 82 N -0.68 0.00 -1.93 1.61 0.53 -0.95 -1.05 117.16 114.68 3df4 n TYR 82 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.47 3df4 n TYR 82 Cb 0.00 -0.29 -0.02 0.00 -1.03 0.00 0.00 39.34 38.00 3df4 n TYR 82 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 3df4 s PRO 83 N -0.03 4.22 0.02 -0.72 0.02 -1.26 -1.05 135.00 136.20 3df4 s PRO 83 Ca 0.00 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3df4 s PRO 83 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3df4 s PRO 83 CO 0.00 -0.48 0.00 -0.89 -0.33 0.00 0.00 177.00 175.30 3df4 n ILE 84 N 2.16 0.20 -1.44 2.83 -0.00 -1.21 -4.59 119.36 117.31 3df4 n ILE 84 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 3df4 n ILE 84 Cb 0.39 -1.50 0.00 0.00 -0.00 0.00 0.00 39.64 38.53 3df4 n ILE 84 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3df4 n GLY 85 N 3.06 4.33 3.11 7.39 0.00 -1.25 0.09 105.19 121.92 3df4 n GLY 85 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.26 3df4 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n LYS 87 N 4.36 0.00 -2.39 0.00 2.85 -0.44 -4.21 118.16 118.32 3df4 n LYS 87 Ca 0.09 0.74 -0.01 0.00 -1.05 0.00 0.00 58.31 58.08 3df4 n LYS 87 Cb 0.58 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3df4 n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3df4 n VAL 88 N -2.40 -9.05 -0.60 0.58 0.31 -1.26 -1.91 118.33 103.99 3df4 n VAL 88 Ca 0.00 1.16 -0.19 0.00 -0.01 0.00 0.00 64.34 65.30 3df4 n VAL 88 Cb 0.00 -6.18 0.17 0.00 -0.91 0.00 0.00 33.84 26.93 3df4 n VAL 88 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3df4 n THR 89 N 0.29 0.00 -4.13 2.52 -2.24 -1.16 -4.04 114.28 105.52 3df4 n THR 89 Ca 0.02 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 3df4 n THR 89 Cb 0.08 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 3df4 n THR 89 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df4 s LEU 90 N 0.00 3.45 -0.28 3.22 2.01 0.24 -4.83 118.68 122.49 3df4 s LEU 90 Ca 0.45 -0.54 0.03 0.00 0.01 0.00 0.00 54.13 54.07 3df4 s LEU 90 Cb -0.06 -1.97 0.07 0.00 0.01 0.00 0.00 46.19 44.24 3df4 s LEU 90 CO 0.35 -0.13 -0.08 -0.13 1.01 0.00 0.00 176.35 177.37 3df4 s ARG 91 N -3.81 2.07 0.00 1.70 1.81 -1.26 -4.68 118.95 114.78 3df4 s ARG 91 Ca 0.35 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 3df4 s ARG 91 Cb -0.06 -2.96 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 3df4 s ARG 91 CO 0.23 -0.65 0.00 0.41 -0.68 0.00 0.00 175.30 174.61 3df4 n GLY 92 N 4.39 0.00 0.27 -3.53 0.00 -1.26 0.15 105.19 105.21 3df4 n GLY 92 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3df4 n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3df4 h GLU 93 N 0.00 -0.19 -0.93 1.61 4.39 -1.99 0.47 114.58 117.94 3df4 h GLU 93 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3df4 h GLU 93 Cb 0.00 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 3df4 h GLU 93 CO 0.00 -0.12 0.59 -0.09 -1.16 0.00 0.00 179.01 178.22 3df4 h ARG 94 N -0.19 1.25 -0.12 2.33 9.65 0.90 0.24 114.38 128.44 3df4 h ARG 94 Ca 0.06 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 58.88 3df4 h ARG 94 Cb 0.34 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 28.59 3df4 h ARG 94 CO -0.41 0.86 -0.25 1.98 2.80 0.00 0.00 179.97 184.95 3df4 h MET 95 N 1.28 -0.31 -0.23 0.20 4.05 0.21 1.82 114.93 121.95 3df4 h MET 95 Ca 0.34 0.02 -0.19 0.00 -0.28 0.00 0.00 59.70 59.59 3df4 h MET 95 Cb -0.09 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 3df4 h MET 95 CO -0.07 -0.21 -0.60 -1.49 0.23 0.00 0.00 176.91 174.78 3df4 h TRP 96 N -0.32 0.97 -0.45 1.39 6.55 0.02 0.29 115.95 124.39 3df4 h TRP 96 Ca 0.10 -0.36 -0.02 0.00 0.95 0.00 0.00 58.89 59.55 3df4 h TRP 96 Cb 0.46 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.57 3df4 h TRP 96 CO -0.34 1.17 0.19 1.49 -1.05 0.00 0.00 178.44 179.90 3df4 h GLU 97 N 0.57 0.63 -0.00 0.49 4.22 -0.39 -1.33 114.58 118.77 3df4 h GLU 97 Ca -0.00 -0.08 -0.18 0.00 0.08 0.00 0.00 59.36 59.18 3df4 h GLU 97 Cb 1.19 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.33 3df4 h GLU 97 CO 0.12 0.51 -0.72 0.35 -2.18 0.00 0.00 179.01 177.10 3df4 h PHE 98 N 0.63 0.73 0.00 0.92 3.57 0.30 -2.74 116.94 120.35 3df4 h PHE 98 Ca 0.16 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3df4 h PHE 98 Cb 0.11 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3df4 h PHE 98 CO 0.01 1.22 0.10 0.34 -2.23 0.00 0.00 178.31 177.74 3df4 n PHE 99 N -4.12 0.14 -0.03 0.41 7.35 1.00 -0.45 117.46 121.75 3df4 n PHE 99 Ca -0.10 0.08 -0.01 0.00 -0.76 0.00 0.00 57.45 56.65 3df4 n PHE 99 Cb 0.73 -0.53 -0.00 0.00 0.35 0.00 0.00 39.48 40.02 3df4 n PHE 99 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3df4 h GLU 100 N 0.00 0.00 -1.17 -4.13 4.57 -0.97 -3.35 114.58 109.53 3df4 h GLU 100 Ca 0.00 0.00 0.33 0.00 -1.18 0.00 0.00 59.36 58.51 3df4 h GLU 100 Cb 0.20 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 3df4 h GLU 100 CO 0.00 0.00 0.79 -0.09 -1.18 0.00 0.00 179.01 178.53 3df4 h ARG 101 N -0.48 0.20 -6.31 1.92 2.43 -1.11 -2.52 114.38 108.52 3df4 h ARG 101 Ca 0.00 -0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.60 3df4 h ARG 101 Cb 0.14 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 3df4 h ARG 101 CO 0.00 0.13 -0.06 -1.17 -1.51 0.00 0.00 179.97 177.37 3df4 s LEU 102 N -9.19 4.40 0.00 3.80 1.98 0.40 -0.36 118.68 119.70 3df4 s LEU 102 Ca -0.07 1.16 0.00 0.00 -2.89 0.00 0.00 54.13 52.32 3df4 s LEU 102 Cb 0.26 -3.16 0.00 0.00 0.66 0.00 0.00 46.19 43.95 3df4 s LEU 102 CO 0.81 0.16 0.00 0.00 -1.89 0.00 0.00 176.35 175.43 3df4 n ILE 103 N 1.11 0.00 0.02 6.68 3.06 -1.26 -4.52 119.36 124.45 3df4 n ILE 103 Ca -0.07 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.28 3df4 n ILE 103 Cb 0.51 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.57 3df4 n ILE 103 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3df4 n THR 104 N 0.00 0.27 0.00 9.51 -1.04 -0.95 -4.35 114.28 117.72 3df4 n THR 104 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 3df4 n THR 104 Cb 0.00 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3df4 n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3df4 n ILE 105 N -2.41 0.00 0.00 12.58 -0.00 -0.37 -4.74 119.36 124.41 3df4 n ILE 105 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 3df4 n ILE 105 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.24 3df4 n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3df4 n ALA 106 N -1.21 -0.05 -0.34 -1.39 0.00 0.51 -0.21 120.51 117.82 3df4 n ALA 106 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3df4 n ALA 106 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.72 3df4 n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df4 h VAL 107 N 0.00 0.77 -0.81 0.00 2.07 -1.86 -0.61 116.25 115.82 3df4 h VAL 107 Ca 0.00 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.35 3df4 h VAL 107 Cb 0.00 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 29.62 3df4 h VAL 107 CO 0.00 0.14 0.45 -0.65 0.02 0.00 0.00 177.57 177.53 3df4 h PRO 108 N 0.78 0.72 -3.74 1.57 0.11 -1.75 -2.80 132.00 126.89 3df4 h PRO 108 Ca 0.52 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.99 3df4 h PRO 108 Cb 0.70 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.66 3df4 h PRO 108 CO -0.34 0.48 2.95 -2.13 -0.21 0.00 0.00 178.00 178.75 3df4 n ARG 109 N -4.78 2.50 -0.02 1.05 0.00 0.71 -4.89 116.66 111.23 3df4 n ARG 109 Ca 0.14 -2.01 -0.01 0.00 -0.00 0.00 0.00 57.85 55.96 3df4 n ARG 109 Cb 0.30 -2.86 0.01 0.00 0.00 0.00 0.00 32.46 29.91 3df4 n ARG 109 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3df4 n ILE 110 N 4.74 0.00 0.00 5.15 -5.35 -1.06 -4.88 119.36 117.95 3df4 n ILE 110 Ca 0.56 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 63.03 3df4 n ILE 110 Cb 0.29 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 3df4 n ILE 110 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3df4 n ARG 111 N -2.02 0.86 0.00 6.28 3.00 -1.26 -4.91 116.66 118.60 3df4 n ARG 111 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 3df4 n ARG 111 Cb 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.10 3df4 n ARG 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3df4 n ASP 112 N -0.41 0.00 -4.52 0.55 2.03 -1.26 -5.15 116.55 107.79 3df4 n ASP 112 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 3df4 n ASP 112 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3df4 n ASP 112 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3df4 n PHE 113 N 0.00 0.50 0.00 -0.67 7.35 -1.26 -4.92 117.46 118.46 3df4 n PHE 113 Ca 0.00 0.72 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 3df4 n PHE 113 Cb 0.00 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 37.70 3df4 n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3df4 n ARG 114 N 0.71 1.04 0.00 -4.13 3.00 -1.26 -5.12 116.66 110.89 3df4 n ARG 114 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 3df4 n ARG 114 Cb 0.33 -0.84 0.00 0.00 0.00 0.00 0.00 32.46 31.95 3df4 n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3df4 n GLY 115 N 2.61 3.49 3.57 5.14 0.00 -1.26 -4.84 105.19 113.90 3df4 n GLY 115 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3df4 n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3df4 s LEU 116 N 0.00 3.39 0.89 0.99 2.96 -1.00 -4.42 118.68 121.49 3df4 s LEU 116 Ca 0.00 0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 54.51 3df4 s LEU 116 Cb 0.00 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 3df4 s LEU 116 CO 0.00 -2.09 0.23 -0.24 -1.32 0.00 0.00 176.35 172.93 3df4 n SER 117 N 11.69 -2.54 -2.24 3.68 2.88 -1.26 -2.48 113.62 123.35 3df4 n SER 117 Ca 0.22 0.38 -0.23 0.00 -1.33 0.00 0.00 58.87 57.90 3df4 n SER 117 Cb 0.50 -1.13 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 3df4 n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df4 n ALA 118 N -3.07 5.90 0.00 -1.46 0.00 -1.26 -3.68 120.51 116.95 3df4 n ALA 118 Ca 0.06 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.99 3df4 n ALA 118 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3df4 n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df4 n LYS 119 N 0.55 3.30 -1.54 0.00 5.02 -1.26 -4.93 118.16 119.30 3df4 n LYS 119 Ca 0.42 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.32 3df4 n LYS 119 Cb 0.57 -0.71 -0.05 0.00 -0.02 0.00 0.00 35.03 34.81 3df4 n LYS 119 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3df4 n SER 120 N -0.68 2.92 -3.78 4.39 2.88 -1.24 -4.79 113.62 113.32 3df4 n SER 120 Ca 0.00 -2.71 -0.05 0.00 -1.33 0.00 0.00 58.87 54.78 3df4 n SER 120 Cb 0.02 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.09 3df4 n SER 120 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3df4 s PHE 121 N 6.56 -0.17 0.51 0.66 -0.00 -1.26 -3.24 117.98 121.04 3df4 s PHE 121 Ca 0.60 -0.18 -0.20 0.00 -0.00 0.00 0.00 56.93 57.14 3df4 s PHE 121 Cb 0.10 0.66 -0.07 0.00 -0.00 0.00 0.00 43.02 43.70 3df4 s PHE 121 CO 0.11 -0.98 1.08 -0.51 -0.00 0.00 0.00 175.22 174.92 3df4 s ASP 122 N -2.91 6.06 0.48 1.98 1.01 0.19 -4.90 116.67 118.57 3df4 s ASP 122 Ca 0.11 2.04 0.23 0.00 0.71 0.00 0.00 52.55 55.64 3df4 s ASP 122 Cb -0.03 -2.57 1.27 0.00 1.01 0.00 0.00 42.92 42.60 3df4 s ASP 122 CO 0.03 -0.98 1.90 1.23 0.21 0.00 0.00 175.17 177.56 3df4 h GLY 123 N 1.39 0.42 0.00 0.21 0.00 -1.96 -2.94 103.07 100.19 3df4 h GLY 123 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3df4 h GLY 123 CO 0.58 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.99 3df4 n ARG 124 N -4.40 0.00 0.00 4.80 3.00 -1.26 -4.68 116.66 114.12 3df4 n ARG 124 Ca 0.17 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 3df4 n ARG 124 Cb 0.76 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 32.20 3df4 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3df4 n GLY 125 N -0.25 0.03 3.52 5.14 0.00 -1.11 -0.87 105.19 111.65 3df4 n GLY 125 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3df4 n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3df4 n ASN 126 N -0.39 -0.24 -4.57 1.61 4.13 -1.26 -4.59 115.26 109.95 3df4 n ASN 126 Ca 0.00 0.84 -0.30 0.00 1.68 0.00 0.00 54.58 56.80 3df4 n ASN 126 Cb 0.00 -1.24 -0.10 0.00 -1.54 0.00 0.00 39.78 36.90 3df4 n ASN 126 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3df4 s TYR 127 N -1.55 2.73 -0.28 3.10 1.51 -1.26 0.54 117.35 122.13 3df4 s TYR 127 Ca 0.68 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 56.42 3df4 s TYR 127 Cb -0.49 -1.42 0.10 0.00 -0.11 0.00 0.00 41.96 40.04 3df4 s TYR 127 CO 0.54 0.43 0.77 -1.54 -1.11 0.00 0.00 175.55 174.64 3df4 s SER 128 N -2.23 -0.84 0.00 2.29 1.04 -1.20 0.73 113.70 113.49 3df4 s SER 128 Ca 0.21 1.32 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 3df4 s SER 128 Cb -0.11 1.43 -0.00 0.00 0.10 0.00 0.00 66.02 67.43 3df4 s SER 128 CO 0.14 -0.21 0.07 0.00 0.98 0.00 0.00 173.24 174.22 3df4 s MET 129 N 1.69 0.36 -0.24 4.02 0.23 0.70 -4.24 119.30 121.82 3df4 s MET 129 Ca -0.09 -0.38 -0.13 0.00 -1.03 0.00 0.00 55.69 54.06 3df4 s MET 129 Cb -0.05 0.14 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 3df4 s MET 129 CO -0.19 -0.07 0.28 0.20 -2.03 0.00 0.00 175.02 173.21 3df4 s GLY 130 N -1.16 1.99 0.44 3.16 0.00 -1.26 -1.80 107.32 108.69 3df4 s GLY 130 Ca -0.13 -0.78 0.30 0.00 0.00 0.00 0.00 44.72 44.11 3df4 s GLY 130 CO 0.00 0.66 1.92 -0.39 0.00 0.00 0.00 173.10 175.30 3df4 h VAL 131 N 5.13 0.00 0.00 1.40 -1.51 -1.82 -3.46 116.25 115.99 3df4 h VAL 131 Ca -0.36 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3df4 h VAL 131 Cb 1.17 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3df4 h VAL 131 CO 0.66 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.54 3df4 n ARG 132 N -2.61 0.00 -3.64 5.19 5.12 -1.13 -4.66 116.66 114.93 3df4 n ARG 132 Ca -0.01 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 3df4 n ARG 132 Cb 0.12 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.25 3df4 n ARG 132 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3df4 s GLU 133 N 0.00 0.02 -0.34 5.56 -6.30 -1.26 -3.89 118.70 112.50 3df4 s GLU 133 Ca 0.00 0.11 -0.37 0.00 -2.50 0.00 0.00 54.97 52.22 3df4 s GLU 133 Cb 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 34.13 32.75 3df4 s GLU 133 CO 0.00 -0.52 2.10 0.94 0.02 0.00 0.00 175.26 177.81 3df4 n GLN 134 N 5.28 1.06 0.00 4.30 0.00 -1.26 -4.71 117.38 122.05 3df4 n GLN 134 Ca -0.05 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 3df4 n GLN 134 Cb 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.39 3df4 n GLN 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 3df4 n ILE 135 N 6.65 0.00 -1.16 1.69 -5.35 -1.26 -4.63 119.36 115.30 3df4 n ILE 135 Ca 0.39 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.78 3df4 n ILE 135 Cb 0.20 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 3df4 n ILE 135 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3df4 n ILE 136 N 0.44 0.00 -1.38 7.28 2.08 -1.26 -4.86 119.36 121.66 3df4 n ILE 136 Ca 0.00 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.92 3df4 n ILE 136 Cb 0.00 -1.08 0.03 0.00 -0.75 0.00 0.00 39.64 37.84 3df4 n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 3df4 n PHE 137 N -1.70 -1.57 0.00 1.39 -0.00 -1.26 -4.19 117.46 110.13 3df4 n PHE 137 Ca -0.09 0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 3df4 n PHE 137 Cb 0.40 -1.85 0.00 0.00 -0.00 0.00 0.00 39.48 38.03 3df4 n PHE 137 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3df4 n PRO 138 N 0.59 0.00 -2.01 3.97 -0.02 -1.26 -4.80 135.00 131.47 3df4 n PRO 138 Ca 0.10 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3df4 n PRO 138 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3df4 n PRO 138 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3df4 n GLU 139 N 0.00 0.43 -1.13 -0.52 0.00 -1.26 -4.80 120.64 113.35 3df4 n GLU 139 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 57.16 56.96 3df4 n GLU 139 Cb 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 3df4 n GLU 139 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3df4 n ILE 140 N -0.00 0.00 -2.04 3.84 5.41 -1.26 -2.79 119.36 122.52 3df4 n ILE 140 Ca 0.00 -0.32 -0.12 0.00 1.00 0.00 0.00 62.75 63.31 3df4 n ILE 140 Cb 0.00 -0.06 0.01 0.00 -0.71 0.00 0.00 39.64 38.88 3df4 n ILE 140 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3df4 n ASP 141 N 4.77 -2.77 0.00 4.38 2.03 -1.26 -4.31 116.55 119.39 3df4 n ASP 141 Ca 0.51 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.84 3df4 n ASP 141 Cb 0.09 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 3df4 n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3df4 n TYR 142 N 0.27 0.00 -0.02 -0.67 0.18 -1.12 0.21 117.16 116.01 3df4 n TYR 142 Ca -0.03 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.59 3df4 n TYR 142 Cb 0.29 -0.49 -0.10 0.00 -0.38 0.00 0.00 39.34 38.66 3df4 n TYR 142 CO 0.00 0.00 0.00 0.38 -2.08 0.00 0.00 176.86 175.16 3df4 h ASP 143 N 0.00 0.46 -0.99 9.48 2.03 -1.93 -3.39 116.42 122.09 3df4 h ASP 143 Ca 0.00 -0.71 -0.59 0.00 -0.73 0.00 0.00 57.03 55.00 3df4 h ASP 143 Cb 0.00 -0.14 -0.09 0.00 -0.83 0.00 0.00 39.33 38.27 3df4 h ASP 143 CO 0.00 1.10 1.63 -0.75 -1.03 0.00 0.00 179.24 180.19 3df4 s LYS 144 N -3.41 3.59 0.00 4.15 2.20 0.56 -4.85 119.74 121.99 3df4 s LYS 144 Ca -0.14 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.16 3df4 s LYS 144 Cb 0.03 -5.39 0.00 0.00 -1.51 0.00 0.00 37.83 30.97 3df4 s LYS 144 CO 0.80 -2.37 0.00 1.33 -0.36 0.00 0.00 175.35 174.75 3df4 n VAL 145 N 6.85 0.00 -4.36 4.02 0.24 -1.25 -4.18 118.33 119.65 3df4 n VAL 145 Ca 0.39 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.45 3df4 n VAL 145 Cb 0.49 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 3df4 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3df4 s ASP 146 N 1.10 2.93 -0.34 -1.34 -1.08 -1.26 -5.06 116.67 111.62 3df4 s ASP 146 Ca 0.00 -0.85 -0.31 0.00 -0.52 0.00 0.00 52.55 50.88 3df4 s ASP 146 Cb 0.00 -0.19 -0.13 0.00 -1.46 0.00 0.00 42.92 41.14 3df4 s ASP 146 CO 0.00 0.03 1.25 -1.14 0.52 0.00 0.00 175.17 175.83 3df4 n ARG 147 N 0.36 0.00 0.00 4.34 0.00 -1.26 -4.61 116.66 115.49 3df4 n ARG 147 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 3df4 n ARG 147 Cb 0.56 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 32.02 3df4 n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3df4 n VAL 148 N 3.49 0.00 0.00 5.15 0.24 -1.26 -5.02 118.33 120.93 3df4 n VAL 148 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3df4 n VAL 148 Cb -0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 3df4 n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3df4 n ARG 149 N 0.00 0.00 -0.85 7.34 5.12 -1.26 -5.05 116.66 121.96 3df4 n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3df4 n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3df4 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df4 n GLY 150 N 0.00 -3.99 1.79 -0.13 0.00 -1.26 -4.77 105.19 96.84 3df4 n GLY 150 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 3df4 n GLY 150 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3df4 n LEU 151 N -0.48 0.00 -4.53 0.99 -0.00 -1.25 -4.72 117.00 107.01 3df4 n LEU 151 Ca 0.00 -1.30 -0.24 0.00 -0.00 0.00 0.00 56.01 54.47 3df4 n LEU 151 Cb 0.00 1.72 -0.09 0.00 -0.00 0.00 0.00 43.42 45.05 3df4 n LEU 151 CO 0.00 -0.40 -0.42 -1.81 -0.00 0.00 0.00 177.39 174.77 3df4 s ASP 152 N -2.02 3.89 -0.13 1.45 -0.00 -1.26 -2.50 116.67 116.09 3df4 s ASP 152 Ca 0.09 -0.95 -0.10 0.00 -0.00 0.00 0.00 52.55 51.59 3df4 s ASP 152 Cb -0.02 -0.46 0.04 0.00 -0.00 0.00 0.00 42.92 42.48 3df4 s ASP 152 CO 0.07 -0.01 0.33 -0.63 -0.00 0.00 0.00 175.17 174.92 3df4 s ILE 153 N -2.47 -0.01 -0.04 0.77 1.01 -0.74 -2.37 121.20 117.34 3df4 s ILE 153 Ca 0.31 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3df4 s ILE 153 Cb -0.04 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.97 3df4 s ILE 153 CO 0.17 0.01 -0.08 -0.89 0.00 0.00 0.00 174.94 174.14 3df4 s THR 154 N 0.43 0.78 -0.08 2.92 2.01 -1.25 -0.22 115.64 120.23 3df4 s THR 154 Ca -0.02 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 3df4 s THR 154 Cb -0.04 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 3df4 s THR 154 CO -0.02 0.26 -0.18 -0.38 -0.69 0.00 0.00 174.62 173.61 3df4 n ILE 155 N 3.63 0.94 -0.58 1.82 -0.00 0.31 0.58 119.36 126.06 3df4 n ILE 155 Ca -0.22 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.80 3df4 n ILE 155 Cb 0.53 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 38.26 3df4 n ILE 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3df4 n THR 156 N -3.64 -2.82 -3.91 1.39 -1.04 0.22 -4.28 114.28 100.20 3df4 n THR 156 Ca -0.07 0.74 -0.35 0.00 -2.04 0.00 0.00 64.05 62.33 3df4 n THR 156 Cb 0.27 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 66.81 3df4 n THR 156 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3df4 s THR 157 N -1.04 5.41 -0.84 12.58 -1.32 -1.26 -2.82 115.64 126.35 3df4 s THR 157 Ca 0.00 -0.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 3df4 s THR 157 Cb 0.00 -3.45 0.07 0.00 -1.51 0.00 0.00 72.50 67.61 3df4 s THR 157 CO 0.00 0.46 1.22 0.35 -2.21 0.00 0.00 174.62 174.45 3df4 n THR 158 N 1.44 1.62 -3.61 5.08 -2.24 -1.10 -4.43 114.28 111.04 3df4 n THR 158 Ca -0.15 0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.77 3df4 n THR 158 Cb 0.54 -1.44 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 3df4 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df4 s ALA 159 N -3.11 3.75 0.02 6.98 0.00 -1.26 -4.89 121.76 123.25 3df4 s ALA 159 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 3df4 s ALA 159 Cb 0.03 -2.23 -0.31 0.00 0.00 0.00 0.00 23.12 20.62 3df4 s ALA 159 CO 0.10 0.59 0.92 1.57 0.00 0.00 0.00 175.76 178.94 3df4 h LYS 160 N 3.56 0.36 -6.38 0.00 2.10 -1.90 -3.38 116.57 110.93 3df4 h LYS 160 Ca -0.49 -0.62 -0.54 0.00 -2.00 0.00 0.00 60.65 57.00 3df4 h LYS 160 Cb 1.19 0.23 0.03 0.00 -0.90 0.00 0.00 32.23 32.77 3df4 h LYS 160 CO 0.68 1.27 1.18 0.45 -2.00 0.00 0.00 179.45 181.02 3df4 n SER 161 N -3.57 4.02 -0.26 7.07 2.88 -1.26 -2.79 113.62 119.72 3df4 n SER 161 Ca -0.16 0.93 -0.07 0.00 -1.33 0.00 0.00 58.87 58.24 3df4 n SER 161 Cb 1.06 -1.51 0.06 0.00 -0.75 0.00 0.00 64.21 63.07 3df4 n SER 161 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3df4 h ASP 162 N 9.86 1.08 -0.09 -3.46 2.03 -1.28 -2.31 116.42 122.26 3df4 h ASP 162 Ca -0.49 -0.22 0.04 0.00 -0.73 0.00 0.00 57.03 55.63 3df4 h ASP 162 Cb 1.24 -0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 39.41 3df4 h ASP 162 CO 0.94 1.02 -0.16 -0.08 -1.03 0.00 0.00 179.24 179.94 3df4 h GLU 163 N 1.09 -0.21 0.00 4.15 4.81 -1.89 0.43 114.58 122.95 3df4 h GLU 163 Ca 0.23 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3df4 h GLU 163 Cb 0.35 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3df4 h GLU 163 CO -0.00 -0.14 -0.02 0.93 -0.73 0.00 0.00 179.01 179.05 3df4 h GLU 164 N -0.21 0.00 -0.73 1.92 5.08 -1.92 -0.53 114.58 118.18 3df4 h GLU 164 Ca 0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3df4 h GLU 164 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3df4 h GLU 164 CO -0.22 0.02 0.48 0.78 -1.00 0.00 0.00 179.01 179.07 3df4 h GLY 165 N 0.25 1.00 1.09 -3.84 0.00 0.43 -0.32 103.07 101.69 3df4 h GLY 165 Ca -0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 3df4 h GLY 165 CO 0.00 0.27 -0.82 3.21 0.00 0.00 0.00 176.54 179.20 3df4 h ARG 166 N 0.84 0.67 0.28 4.80 -0.00 -0.91 -3.32 114.38 116.74 3df4 h ARG 166 Ca 0.30 -0.64 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 3df4 h ARG 166 Cb 0.15 0.16 -0.04 0.00 0.00 0.00 0.00 29.97 30.24 3df4 h ARG 166 CO -0.09 1.24 -0.50 0.00 0.00 0.00 0.00 179.97 180.61 3df4 h ALA 167 N 0.44 -1.05 -2.12 0.04 0.00 -1.16 -3.23 119.26 112.18 3df4 h ALA 167 Ca -0.09 -0.14 -0.42 0.00 0.00 0.00 0.00 54.91 54.26 3df4 h ALA 167 Cb 1.48 0.81 0.20 0.00 0.00 0.00 0.00 17.79 20.29 3df4 h ALA 167 CO 0.17 -1.13 0.00 -1.17 0.00 0.00 0.00 179.25 177.11 3df4 s LEU 168 N -9.90 0.33 0.00 0.00 1.98 -0.23 -0.62 118.68 110.25 3df4 s LEU 168 Ca -0.16 1.20 0.00 0.00 -2.89 0.00 0.00 54.13 52.28 3df4 s LEU 168 Cb 0.05 -2.98 0.00 0.00 0.66 0.00 0.00 46.19 43.92 3df4 s LEU 168 CO 0.58 -4.42 0.00 0.18 -1.89 0.00 0.00 176.35 170.80 3df4 n LEU 169 N -5.03 0.00 0.26 -0.68 4.77 -1.26 -3.63 117.00 111.43 3df4 n LEU 169 Ca 0.06 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.22 3df4 n LEU 169 Cb 0.57 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.58 3df4 n LEU 169 CO 0.53 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.74 3df4 h ALA 170 N -0.21 1.53 -0.08 -1.18 0.00 -1.59 0.56 119.26 118.29 3df4 h ALA 170 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 170 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3df4 h ALA 170 CO 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.07 3df4 h ALA 171 N 1.75 1.92 -4.81 0.00 0.00 -0.93 -3.40 119.26 113.79 3df4 h ALA 171 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3df4 h ALA 171 Cb 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3df4 h ALA 171 CO -0.00 0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.51 3df4 n PHE 172 N -4.51 -2.90 -0.78 0.00 3.72 0.20 -4.88 117.46 108.30 3df4 n PHE 172 Ca -0.02 -0.82 -0.21 0.00 -0.05 0.00 0.00 57.45 56.36 3df4 n PHE 172 Cb 0.09 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 3df4 n PHE 172 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3df4 n ASP 173 N -2.82 5.02 -4.60 4.37 5.75 -1.26 -4.84 116.55 118.17 3df4 n ASP 173 Ca 0.07 -2.30 -0.40 0.00 -0.01 0.00 0.00 54.79 52.14 3df4 n ASP 173 Cb 0.25 -1.10 -0.08 0.00 -1.03 0.00 0.00 41.12 39.16 3df4 n ASP 173 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3df4 s PHE 174 N 2.92 3.24 0.04 2.11 5.36 -1.25 -4.80 117.98 125.59 3df4 s PHE 174 Ca 0.43 0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 56.82 3df4 s PHE 174 Cb 0.13 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.98 3df4 s PHE 174 CO -0.03 -0.36 1.17 -1.00 -1.46 0.00 0.00 175.22 173.54 3df4 h PRO 175 N 8.14 -0.17 0.00 10.12 0.13 -1.90 -3.44 132.00 144.88 3df4 h PRO 175 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3df4 h PRO 175 Cb 1.14 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3df4 h PRO 175 CO 0.73 -0.11 0.00 1.19 -0.23 0.00 0.00 178.00 179.58 3df4 n PHE 176 N -3.48 -1.05 -3.50 1.56 3.01 -1.26 -4.79 117.46 107.96 3df4 n PHE 176 Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 3df4 n PHE 176 Cb 0.12 0.18 -0.08 0.00 -0.01 0.00 0.00 39.48 39.69 3df4 n PHE 176 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3df4 s ARG 177 N 0.00 0.38 0.00 -1.08 6.06 -1.03 -2.37 118.95 120.90 3df4 s ARG 177 Ca 0.00 0.89 0.07 0.00 -2.50 0.00 0.00 55.73 54.19 3df4 s ARG 177 Cb 0.00 0.11 0.05 0.00 0.06 0.00 0.00 34.95 35.17 3df4 s ARG 177 CO 0.00 -0.42 0.71 1.17 -2.50 0.00 0.00 175.30 174.26