#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if6 s VAL 26 N 0.00 5.17 -0.06 2.52 1.01 -0.96 -4.97 120.40 123.11 3if6 s VAL 26 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 3if6 s VAL 26 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3if6 s VAL 26 CO 0.00 -0.89 1.59 -0.51 0.00 0.00 0.00 175.10 175.29 3if6 s ILE 27 N 1.34 3.64 -0.68 2.22 -1.16 -1.26 -1.09 121.20 124.21 3if6 s ILE 27 Ca 0.06 0.82 0.04 0.00 -0.51 0.00 0.00 60.65 61.06 3if6 s ILE 27 Cb -0.27 -3.53 0.30 0.00 0.61 0.00 0.00 42.46 39.57 3if6 s ILE 27 CO 0.01 -0.06 0.97 -1.14 -2.81 0.00 0.00 174.94 171.91 3if6 n ARG 28 N 6.83 3.21 0.04 3.50 3.00 -0.01 -4.86 116.66 128.38 3if6 n ARG 28 Ca 0.16 -4.75 0.15 0.00 -0.00 0.00 0.00 57.85 53.41 3if6 n ARG 28 Cb 0.43 -2.29 0.24 0.00 0.00 0.00 0.00 32.46 30.84 3if6 n ARG 28 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3if6 h SER 29 N 3.76 0.00 -0.47 6.15 0.02 -1.92 0.47 113.55 121.56 3if6 h SER 29 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3if6 h SER 29 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3if6 h SER 29 CO 0.90 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.69 3if6 n ASP 30 N -2.90 2.55 0.09 3.07 5.75 -1.26 -3.06 116.55 120.77 3if6 n ASP 30 Ca 0.12 -2.01 0.12 0.00 -0.01 0.00 0.00 54.79 53.02 3if6 n ASP 30 Cb 1.28 -0.32 0.11 0.00 -1.03 0.00 0.00 41.12 41.16 3if6 n ASP 30 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3if6 h TRP 31 N 2.77 0.00 -1.19 2.11 6.55 -0.40 -3.37 115.95 122.42 3if6 h TRP 31 Ca 0.00 0.00 0.38 0.00 0.95 0.00 0.00 58.89 60.22 3if6 h TRP 31 Cb 0.64 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.85 3if6 h TRP 31 CO 0.32 0.00 0.80 1.63 -1.05 0.00 0.00 178.44 180.14 3if6 n LYS 32 N -2.37 -0.02 0.05 0.49 4.76 -1.17 -0.42 118.16 119.47 3if6 n LYS 32 Ca 0.02 0.90 -0.08 0.00 -2.87 0.00 0.00 58.31 56.28 3if6 n LYS 32 Cb 0.48 -1.87 -0.13 0.00 -1.84 0.00 0.00 35.03 31.68 3if6 n LYS 32 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3if6 h LYS 33 N 0.00 0.02 -0.10 1.97 3.11 -1.84 -2.88 116.57 116.84 3if6 h LYS 33 Ca 0.68 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.48 3if6 h LYS 33 Cb 2.38 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.61 3if6 h LYS 33 CO -0.24 0.91 0.03 0.74 -2.81 0.00 0.00 179.45 178.09 3if6 h PHE 34 N 0.01 0.14 0.07 1.91 0.04 -1.02 -0.29 116.94 117.79 3if6 h PHE 34 Ca -0.08 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.54 3if6 h PHE 34 Cb 1.83 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.94 3if6 h PHE 34 CO 0.00 0.12 -0.73 0.74 -0.60 0.00 0.00 178.31 177.84 3if6 h PHE 35 N 0.14 0.27 0.00 -0.55 -1.00 -1.64 -3.34 116.94 110.83 3if6 h PHE 35 Ca 0.04 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.62 3if6 h PHE 35 Cb 0.05 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3if6 h PHE 35 CO 0.00 1.28 0.00 0.66 -1.61 0.00 0.00 178.31 178.65 3if6 h SER 36 N -0.65 0.00 0.71 2.17 4.64 -1.32 0.11 113.55 119.21 3if6 h SER 36 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3if6 h SER 36 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3if6 h SER 36 CO 0.03 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.43 3if6 h ASP 37 N 0.00 0.00 -0.34 4.97 3.32 -1.17 -2.46 116.42 120.74 3if6 h ASP 37 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3if6 h ASP 37 Cb 0.50 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.85 3if6 h ASP 37 CO 0.00 0.00 -0.65 0.18 -1.72 0.00 0.00 179.24 177.05 3if6 n LEU 38 N -2.87 3.67 -4.09 1.55 4.32 -0.77 -4.97 117.00 113.85 3if6 n LEU 38 Ca 0.00 -4.26 -0.29 0.00 -0.02 0.00 0.00 56.01 51.44 3if6 n LEU 38 Cb 0.23 -0.43 -0.07 0.00 -1.62 0.00 0.00 43.42 41.52 3if6 n LEU 38 CO 0.23 1.71 -0.38 0.00 -1.22 0.00 0.00 177.39 177.73 3if6 n GLN 39 N -0.92 -0.86 -4.43 3.23 3.00 -0.93 -4.92 117.38 111.55 3if6 n GLN 39 Ca 0.30 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 57.06 3if6 n GLN 39 Cb 0.82 -2.98 -0.13 0.00 0.00 0.00 0.00 30.24 27.95 3if6 n GLN 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3if6 s ALA 40 N -4.15 2.38 -0.11 -1.58 0.00 0.31 -4.99 121.76 113.63 3if6 s ALA 40 Ca 0.06 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3if6 s ALA 40 Cb -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3if6 s ALA 40 CO 0.87 0.54 -0.16 -1.21 0.00 0.00 0.00 175.76 175.81 3if6 s GLU 41 N -1.99 3.16 0.00 0.00 0.41 -1.26 -3.90 118.70 115.13 3if6 s GLU 41 Ca 0.14 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 3if6 s GLU 41 Cb -0.10 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 3if6 s GLU 41 CO 0.06 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.51 3if6 n GLY 42 N 3.33 -0.77 3.25 -1.39 0.00 -1.26 -1.41 105.19 106.94 3if6 n GLY 42 Ca -0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3if6 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if6 s ALA 43 N -1.00 -0.85 -0.01 4.61 0.00 -0.45 -4.78 121.76 119.28 3if6 s ALA 43 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3if6 s ALA 43 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3if6 s ALA 43 CO 0.00 -0.24 -0.10 -1.50 0.00 0.00 0.00 175.76 173.92 3if6 s ILE 44 N -0.89 0.79 -0.22 0.00 2.07 -1.26 -0.65 121.20 121.04 3if6 s ILE 44 Ca -0.10 -0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 58.69 3if6 s ILE 44 Cb -0.04 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 3if6 s ILE 44 CO 0.03 0.23 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.58 3if6 s VAL 45 N -0.15 3.55 -0.22 4.00 1.01 0.20 -2.11 120.40 126.68 3if6 s VAL 45 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3if6 s VAL 45 Cb -0.05 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3if6 s VAL 45 CO -0.00 0.42 -0.12 -0.51 0.00 0.00 0.00 175.10 174.89 3if6 s ILE 46 N 1.41 2.53 -0.86 2.22 -1.16 -0.04 -1.64 121.20 123.66 3if6 s ILE 46 Ca 0.05 -1.04 -0.20 0.00 -0.51 0.00 0.00 60.65 58.95 3if6 s ILE 46 Cb -0.14 -2.23 0.11 0.00 0.61 0.00 0.00 42.46 40.81 3if6 s ILE 46 CO -0.02 0.30 1.09 0.00 -2.81 0.00 0.00 174.94 173.51 3if6 s ALA 47 N 1.29 3.28 -0.34 1.50 0.00 -1.06 -1.54 121.76 124.90 3if6 s ALA 47 Ca 0.01 -2.51 -0.21 0.00 0.00 0.00 0.00 51.96 49.24 3if6 s ALA 47 Cb -0.16 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.96 3if6 s ALA 47 CO -0.07 -2.94 0.69 0.34 0.00 0.00 0.00 175.76 173.78 3if6 s ASP 48 N 3.70 6.51 -0.05 0.00 -1.08 -0.54 -1.51 116.67 123.71 3if6 s ASP 48 Ca 0.30 0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.76 3if6 s ASP 48 Cb -0.08 -2.36 0.17 0.00 -1.46 0.00 0.00 42.92 39.20 3if6 s ASP 48 CO -0.04 -0.60 1.12 -0.62 0.52 0.00 0.00 175.17 175.55 3if6 n GLU 49 N 6.11 2.54 -0.13 4.34 1.02 0.11 -2.35 120.64 132.28 3if6 n GLU 49 Ca 0.01 -1.99 -0.09 0.00 -0.02 0.00 0.00 57.16 55.07 3if6 n GLU 49 Cb 0.48 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.65 3if6 n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if6 h ARG 50 N 0.52 0.60 -7.26 3.49 3.08 -1.80 -3.42 114.38 109.59 3if6 h ARG 50 Ca 0.00 -0.11 -0.50 0.00 0.07 0.00 0.00 59.98 59.43 3if6 h ARG 50 Cb 0.75 -0.09 0.09 0.00 0.08 0.00 0.00 29.97 30.80 3if6 h ARG 50 CO 0.02 0.57 0.36 -0.65 -1.07 0.00 0.00 179.97 179.21 3if6 s GLN 51 N -5.52 2.95 0.31 0.04 1.11 -1.26 -4.50 119.66 112.79 3if6 s GLN 51 Ca -0.13 1.14 0.07 0.00 0.01 0.00 0.00 55.36 56.45 3if6 s GLN 51 Cb 0.10 -1.99 0.82 0.00 -1.01 0.00 0.00 33.01 30.94 3if6 s GLN 51 CO 0.75 -1.10 1.73 0.00 0.01 0.00 0.00 175.29 176.68 3if6 h ALA 52 N -0.26 1.68 -3.02 6.09 0.00 -1.95 -3.37 119.26 118.44 3if6 h ALA 52 Ca -0.45 0.13 -0.58 0.00 0.00 0.00 0.00 54.91 54.00 3if6 h ALA 52 Cb 1.22 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 3if6 h ALA 52 CO 0.56 -0.25 -0.24 0.15 0.00 0.00 0.00 179.25 179.46 3if6 s LYS 53 N -5.82 4.29 -0.40 0.00 3.01 -1.26 -5.06 119.74 114.49 3if6 s LYS 53 Ca -0.11 0.24 -0.27 0.00 -1.01 0.00 0.00 55.97 54.82 3if6 s LYS 53 Cb 0.26 -3.44 0.02 0.00 -1.01 0.00 0.00 37.83 33.67 3if6 s LYS 53 CO 0.79 0.19 0.99 -1.01 0.51 0.00 0.00 175.35 176.82 3if6 s HIS 54 N 0.59 3.00 -0.07 3.18 3.76 -1.26 -4.84 115.29 119.64 3if6 s HIS 54 Ca 0.20 0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 55.66 3if6 s HIS 54 Cb -0.14 -3.89 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 3if6 s HIS 54 CO 0.07 -0.97 0.49 0.95 -0.85 0.00 0.00 174.74 174.42 3if6 s THR 55 N 3.76 5.10 -0.80 1.30 -4.23 -0.99 -4.97 115.64 114.81 3if6 s THR 55 Ca 0.41 0.99 0.02 0.00 -1.18 0.00 0.00 61.69 61.92 3if6 s THR 55 Cb -0.11 -3.82 0.20 0.00 1.34 0.00 0.00 72.50 70.11 3if6 s THR 55 CO 0.23 0.39 0.65 -0.11 -0.54 0.00 0.00 174.62 175.24 3if6 n LEU 56 N 3.15 3.64 -4.82 4.79 0.00 -1.26 -1.46 117.00 121.04 3if6 n LEU 56 Ca -0.08 -5.19 -0.33 0.00 0.00 0.00 0.00 56.01 50.41 3if6 n LEU 56 Cb 0.52 -0.92 -0.02 0.00 0.00 0.00 0.00 43.42 42.99 3if6 n LEU 56 CO 0.42 1.68 0.70 -0.44 0.00 0.00 0.00 177.39 179.74 3if6 s SER 57 N -0.91 6.33 0.23 1.96 0.01 -0.59 -2.26 113.70 118.48 3if6 s SER 57 Ca 0.27 1.72 -0.07 0.00 1.31 0.00 0.00 55.95 59.18 3if6 s SER 57 Cb -0.05 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 3if6 s SER 57 CO -0.14 -0.79 0.31 -0.69 0.41 0.00 0.00 173.24 172.34 3if6 s VAL 58 N -2.41 0.00 -0.04 3.43 1.01 -0.25 -0.86 120.40 121.27 3if6 s VAL 58 Ca 0.62 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 3if6 s VAL 58 Cb -0.13 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3if6 s VAL 58 CO 0.29 0.00 0.14 0.12 0.00 0.00 0.00 175.10 175.66 3if6 s PHE 59 N -4.04 -0.12 -1.26 5.22 5.36 -0.90 -0.83 117.98 121.41 3if6 s PHE 59 Ca 0.31 0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 56.53 3if6 s PHE 59 Cb 0.03 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.73 3if6 s PHE 59 CO 0.11 -0.12 0.72 -3.47 -1.46 0.00 0.00 175.22 171.00 3if6 n ASP 60 N 2.69 -2.18 -0.48 6.13 -0.08 -1.26 -4.11 116.55 117.26 3if6 n ASP 60 Ca -0.15 -0.84 0.38 0.00 -1.51 0.00 0.00 54.79 52.67 3if6 n ASP 60 Cb 0.58 -4.03 0.60 0.00 2.34 0.00 0.00 41.12 40.61 3if6 n ASP 60 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3if6 n GLN 61 N -4.17 -0.01 -0.05 -0.67 -0.06 -1.26 0.10 117.38 111.26 3if6 n GLN 61 Ca -0.25 0.91 -0.16 0.00 -2.00 0.00 0.00 57.00 55.51 3if6 n GLN 61 Cb 0.66 -1.97 -0.07 0.00 -4.06 0.00 0.00 30.24 24.81 3if6 n GLN 61 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3if6 h GLU 62 N 0.00 0.69 0.07 3.69 3.07 -1.98 -1.99 114.58 118.12 3if6 h GLU 62 Ca 0.72 -0.49 -0.28 0.00 -0.50 0.00 0.00 59.36 58.81 3if6 h GLU 62 Cb 2.66 0.08 0.02 0.00 -0.84 0.00 0.00 28.75 30.67 3if6 h GLU 62 CO -0.17 1.11 -1.15 -0.09 -1.40 0.00 0.00 179.01 177.32 3if6 h ARG 63 N 0.38 0.63 -0.58 2.33 2.43 0.40 -2.53 114.38 117.43 3if6 h ARG 63 Ca -0.01 -0.76 0.05 0.00 -0.81 0.00 0.00 59.98 58.45 3if6 h ARG 63 Cb 1.15 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 3if6 h ARG 63 CO 0.11 1.33 0.39 0.00 -1.51 0.00 0.00 179.97 180.29 3if6 h ALA 64 N 0.38 1.78 0.00 2.80 0.00 -1.16 0.31 119.26 123.38 3if6 h ALA 64 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3if6 h ALA 64 Cb 1.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3if6 h ALA 64 CO 0.22 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3if6 n ALA 65 N -2.48 2.34 -2.01 0.00 0.00 -0.75 -2.48 120.51 115.14 3if6 n ALA 65 Ca 0.08 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3if6 n ALA 65 Cb 0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3if6 n ALA 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3if6 s LYS 66 N -3.06 4.38 -0.15 0.00 2.20 0.11 -4.87 119.74 118.36 3if6 s LYS 66 Ca 0.12 1.02 -0.20 0.00 -0.36 0.00 0.00 55.97 56.55 3if6 s LYS 66 Cb 0.15 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 3if6 s LYS 66 CO 0.57 0.39 0.59 1.03 -0.36 0.00 0.00 175.35 177.58 3if6 s ARG 67 N -1.87 4.29 0.18 4.03 0.52 -1.26 -4.16 118.95 120.69 3if6 s ARG 67 Ca 0.44 0.61 0.11 0.00 -0.52 0.00 0.00 55.73 56.36 3if6 s ARG 67 Cb -0.18 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 3if6 s ARG 67 CO 0.22 -0.06 -0.19 0.71 0.02 0.00 0.00 175.30 176.00 3if6 s TYR 68 N 1.31 2.41 0.16 -0.53 2.02 0.18 -4.72 117.35 118.18 3if6 s TYR 68 Ca 0.29 -0.31 -0.33 0.00 -0.37 0.00 0.00 57.07 56.35 3if6 s TYR 68 Cb -0.16 -1.20 -0.13 0.00 -0.40 0.00 0.00 41.96 40.08 3if6 s TYR 68 CO 0.12 0.49 1.67 0.45 -1.57 0.00 0.00 175.55 176.71 3if6 n SER 69 N 0.24 3.51 -0.04 2.29 2.88 -1.26 0.43 113.62 121.67 3if6 n SER 69 Ca -0.12 1.06 -0.02 0.00 -1.33 0.00 0.00 58.87 58.46 3if6 n SER 69 Cb 0.56 -1.49 0.24 0.00 -0.75 0.00 0.00 64.21 62.77 3if6 n SER 69 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3if6 h PRO 70 N 6.66 0.62 0.00 -1.46 0.13 -1.73 -3.47 132.00 132.75 3if6 h PRO 70 Ca -0.45 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3if6 h PRO 70 Cb 1.23 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3if6 h PRO 70 CO 0.92 0.65 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 3if6 n ALA 71 N -2.48 0.00 0.63 -0.56 0.00 0.04 -2.48 120.51 115.68 3if6 n ALA 71 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3if6 n ALA 71 Cb 0.27 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.12 3if6 n ALA 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3if6 n SER 72 N 5.71 0.00 0.23 0.00 7.64 -1.26 -2.18 113.62 123.76 3if6 n SER 72 Ca 0.00 0.49 0.16 0.00 1.01 0.00 0.00 58.87 60.53 3if6 n SER 72 Cb 0.00 -0.50 0.72 0.00 -1.01 0.00 0.00 64.21 63.42 3if6 n SER 72 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3if6 h THR 73 N 0.00 0.00 0.00 0.44 1.35 -1.61 -2.72 112.91 110.37 3if6 h THR 73 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3if6 h THR 73 Cb 0.31 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3if6 h THR 73 CO 0.00 0.00 0.00 0.33 -0.25 0.00 0.00 175.52 175.60 3if6 n PHE 74 N -2.71 0.00 0.19 4.73 7.35 -0.93 -3.20 117.46 122.90 3if6 n PHE 74 Ca -0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 3if6 n PHE 74 Cb 0.19 -0.24 0.39 0.00 0.35 0.00 0.00 39.48 40.18 3if6 n PHE 74 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3if6 h LYS 75 N 0.00 0.00 0.20 -4.13 1.57 -1.70 0.81 116.57 113.33 3if6 h LYS 75 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3if6 h LYS 75 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3if6 h LYS 75 CO 0.00 0.35 -0.10 0.82 -0.57 0.00 0.00 179.45 179.95 3if6 h ILE 76 N 0.00 0.00 -0.69 1.86 2.04 -1.79 -1.61 117.51 117.32 3if6 h ILE 76 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3if6 h ILE 76 Cb 0.65 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3if6 h ILE 76 CO 0.05 0.00 0.43 1.55 0.00 0.00 0.00 178.15 180.18 3if6 h PRO 77 N -0.28 0.93 -0.79 2.37 0.13 -1.78 -2.95 132.00 129.62 3if6 h PRO 77 Ca -0.03 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.11 3if6 h PRO 77 Cb 0.22 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 3if6 h PRO 77 CO 0.04 0.64 0.52 1.25 -0.23 0.00 0.00 178.00 180.21 3if6 h HIS 78 N 0.95 0.82 -0.20 1.56 2.76 -0.84 -0.61 115.15 119.60 3if6 h HIS 78 Ca 0.25 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.30 3if6 h HIS 78 Cb -0.06 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.63 3if6 h HIS 78 CO 0.00 0.41 -0.45 1.15 -1.30 0.00 0.00 177.93 177.75 3if6 h THR 79 N 0.79 1.32 -0.44 6.26 2.02 -1.11 -0.88 112.91 120.86 3if6 h THR 79 Ca 0.35 -1.68 0.09 0.00 0.77 0.00 0.00 66.41 65.94 3if6 h THR 79 Cb 0.34 1.88 -0.08 0.00 -1.74 0.00 0.00 68.15 68.55 3if6 h THR 79 CO -0.13 0.52 -0.05 -0.07 0.37 0.00 0.00 175.52 176.16 3if6 h LEU 80 N 0.34 -0.29 -0.08 2.58 3.38 -1.42 0.33 115.31 120.14 3if6 h LEU 80 Ca -0.00 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3if6 h LEU 80 Cb 1.06 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3if6 h LEU 80 CO 0.10 -0.10 -0.09 -0.26 0.09 0.00 0.00 178.44 178.18 3if6 h PHE 81 N 0.06 -0.22 -0.14 1.13 -1.00 -0.84 0.18 116.94 116.11 3if6 h PHE 81 Ca 0.22 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.01 3if6 h PHE 81 Cb 0.33 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3if6 h PHE 81 CO -0.33 -0.14 0.09 0.00 -1.61 0.00 0.00 178.31 176.32 3if6 h ALA 82 N 0.94 0.18 -0.10 2.45 0.00 -0.91 0.13 119.26 121.94 3if6 h ALA 82 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3if6 h ALA 82 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3if6 h ALA 82 CO -0.15 -0.33 -0.06 -0.07 0.00 0.00 0.00 179.25 178.63 3if6 h LEU 83 N 0.18 -0.19 -0.69 0.00 3.38 -0.25 0.16 115.31 117.89 3if6 h LEU 83 Ca 0.05 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3if6 h LEU 83 Cb -0.01 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3if6 h LEU 83 CO -0.01 -0.08 0.39 -0.78 0.09 0.00 0.00 178.44 178.04 3if6 h ASP 84 N -0.06 0.57 -0.08 -0.43 1.82 -0.46 -2.15 116.42 115.62 3if6 h ASP 84 Ca 0.06 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 3if6 h ASP 84 Cb 0.15 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.08 3if6 h ASP 84 CO -0.14 0.36 0.00 0.00 -1.61 0.00 0.00 179.24 177.86 3if6 n ALA 85 N -2.36 2.55 -3.57 -0.78 0.00 0.42 -4.90 120.51 111.87 3if6 n ALA 85 Ca 0.09 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 3if6 n ALA 85 Cb 0.19 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3if6 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3if6 n ASP 86 N -0.29 -3.18 0.22 0.00 -0.08 -0.71 -4.83 116.55 107.67 3if6 n ASP 86 Ca 0.13 -0.51 0.11 0.00 -1.51 0.00 0.00 54.79 53.00 3if6 n ASP 86 Cb 0.16 -2.66 0.34 0.00 2.34 0.00 0.00 41.12 41.31 3if6 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3if6 h ALA 87 N 0.95 0.94 -3.39 -1.67 0.00 -0.98 -3.44 119.26 111.68 3if6 h ALA 87 Ca -0.44 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.03 3if6 h ALA 87 Cb 1.29 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 3if6 h ALA 87 CO 0.57 0.20 -0.74 0.54 0.00 0.00 0.00 179.25 179.82 3if6 s VAL 88 N -3.40 0.52 -0.20 0.00 0.11 -1.05 -4.92 120.40 111.46 3if6 s VAL 88 Ca 0.03 -0.84 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 3if6 s VAL 88 Cb 0.08 -0.55 -0.20 0.00 -1.53 0.00 0.00 36.38 34.18 3if6 s VAL 88 CO 0.65 -0.23 0.20 -1.14 -3.33 0.00 0.00 175.10 171.25 3if6 n ARG 89 N 1.90 0.59 -1.10 1.54 0.63 -1.26 -4.30 116.66 114.66 3if6 n ARG 89 Ca -0.20 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 3if6 n ARG 89 Cb 0.56 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.74 3if6 n ARG 89 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3if6 n ASP 90 N -4.28 0.00 0.00 6.15 3.85 -1.26 -5.02 116.55 115.99 3if6 n ASP 90 Ca -0.33 -0.80 0.10 0.00 -0.71 0.00 0.00 54.79 53.05 3if6 n ASP 90 Cb 0.75 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.98 3if6 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3if6 n GLU 91 N 0.00 0.04 -0.00 0.11 0.00 -1.26 -2.81 120.64 116.72 3if6 n GLU 91 Ca 0.00 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.40 3if6 n GLU 91 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.81 3if6 n GLU 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3if6 n PHE 92 N -1.48 0.02 -1.73 -1.84 3.72 -1.26 -4.35 117.46 110.55 3if6 n PHE 92 Ca 0.06 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 3if6 n PHE 92 Cb 0.24 -0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3if6 n PHE 92 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3if6 n GLN 93 N -1.84 2.43 -4.08 -1.08 7.27 -1.12 -4.96 117.38 114.01 3if6 n GLN 93 Ca 0.01 0.86 -0.34 0.00 0.07 0.00 0.00 57.00 57.59 3if6 n GLN 93 Cb 0.43 -2.56 -0.10 0.00 2.41 0.00 0.00 30.24 30.42 3if6 n GLN 93 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3if6 s VAL 94 N -0.48 4.64 -0.17 1.69 1.01 -1.26 -4.47 120.40 121.36 3if6 s VAL 94 Ca 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 3if6 s VAL 94 Cb -0.54 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3if6 s VAL 94 CO 0.55 0.47 -0.10 -0.36 0.00 0.00 0.00 175.10 175.66 3if6 s PHE 95 N 0.32 2.88 -0.13 5.22 0.40 0.88 -4.95 117.98 122.59 3if6 s PHE 95 Ca 0.02 -0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 3if6 s PHE 95 Cb -0.13 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.49 3if6 s PHE 95 CO 0.01 -0.37 -0.01 0.50 0.70 0.00 0.00 175.22 176.04 3if6 s ARG 96 N 0.84 0.95 0.09 0.44 6.06 -1.26 -0.37 118.95 125.71 3if6 s ARG 96 Ca -0.03 -0.24 -0.36 0.00 -2.50 0.00 0.00 55.73 52.60 3if6 s ARG 96 Cb -0.15 -1.62 -0.17 0.00 0.06 0.00 0.00 34.95 33.08 3if6 s ARG 96 CO 0.01 -0.42 1.28 1.87 -2.50 0.00 0.00 175.30 175.54 3if6 n TRP 97 N 5.03 1.39 -2.68 5.12 -0.00 -1.26 -4.92 117.44 120.11 3if6 n TRP 97 Ca -0.09 0.68 -0.14 0.00 -0.00 0.00 0.00 57.50 57.94 3if6 n TRP 97 Cb 0.49 -2.30 0.02 0.00 -0.00 0.00 0.00 31.31 29.51 3if6 n TRP 97 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3if6 n ASP 98 N 2.35 2.21 -1.59 5.87 5.75 -1.26 -5.02 116.55 124.86 3if6 n ASP 98 Ca 0.18 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 3if6 n ASP 98 Cb 0.19 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3if6 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3if6 n GLY 99 N -0.13 3.04 0.15 6.12 0.00 -1.26 -5.05 105.19 108.06 3if6 n GLY 99 Ca 0.18 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 3if6 n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3if6 h VAL 100 N 0.29 1.10 -3.68 1.61 2.07 -2.04 -3.47 116.25 112.14 3if6 h VAL 100 Ca 0.00 -2.61 -0.52 0.00 0.82 0.00 0.00 66.70 64.39 3if6 h VAL 100 Cb 0.00 2.89 0.05 0.00 -1.52 0.00 0.00 31.29 32.71 3if6 h VAL 100 CO 0.00 0.84 0.63 0.21 0.02 0.00 0.00 177.57 179.27 3if6 s ASN 101 N -7.42 6.87 -0.12 0.57 2.47 -1.26 -4.96 114.94 111.09 3if6 s ASN 101 Ca -0.13 2.55 0.14 0.00 0.42 0.00 0.00 52.86 55.84 3if6 s ASN 101 Cb 0.05 -2.63 0.32 0.00 -1.45 0.00 0.00 41.25 37.54 3if6 s ASN 101 CO 0.90 -0.49 1.16 0.54 -3.72 0.00 0.00 177.10 175.48 3if6 n ARG 102 N 1.53 1.00 -1.91 0.43 5.12 -1.26 -4.86 116.66 116.71 3if6 n ARG 102 Ca 0.02 -2.52 0.01 0.00 -1.93 0.00 0.00 57.85 53.43 3if6 n ARG 102 Cb 0.42 -1.15 0.05 0.00 -1.16 0.00 0.00 32.46 30.62 3if6 n ARG 102 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3if6 n SER 103 N -0.79 1.52 -4.06 0.55 7.64 -1.26 -5.02 113.62 112.19 3if6 n SER 103 Ca 0.13 -2.30 -0.09 0.00 1.01 0.00 0.00 58.87 57.62 3if6 n SER 103 Cb 0.75 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 3if6 n SER 103 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3if6 s PHE 104 N -1.85 0.50 0.21 1.43 -0.71 -1.26 -5.13 117.98 111.17 3if6 s PHE 104 Ca 0.33 -0.83 -0.31 0.00 -1.04 0.00 0.00 56.93 55.09 3if6 s PHE 104 Cb 0.37 -0.34 -0.10 0.00 -1.21 0.00 0.00 43.02 41.73 3if6 s PHE 104 CO -0.10 -0.26 1.49 0.00 -1.34 0.00 0.00 175.22 175.00 3if6 s ALA 105 N -2.86 3.69 0.00 1.99 0.00 -1.26 -3.00 121.76 120.31 3if6 s ALA 105 Ca -0.01 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3if6 s ALA 105 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3if6 s ALA 105 CO -0.06 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3if6 n GLY 106 N 2.88 0.51 0.25 0.00 0.00 -1.26 -4.93 105.19 102.64 3if6 n GLY 106 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3if6 n GLY 106 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3if6 h HIS 107 N 0.00 0.17 -0.57 1.61 -0.00 -1.93 -2.55 115.15 111.89 3if6 h HIS 107 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3if6 h HIS 107 Cb 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3if6 h HIS 107 CO 0.03 0.24 0.03 0.27 -0.00 0.00 0.00 177.93 178.51 3if6 n ASN 108 N -4.37 5.52 -4.18 3.10 2.04 -1.26 -4.45 115.26 111.66 3if6 n ASN 108 Ca -0.01 -2.98 -0.22 0.00 -0.44 0.00 0.00 54.58 50.93 3if6 n ASN 108 Cb 0.20 -0.68 -0.14 0.00 -2.53 0.00 0.00 39.78 36.63 3if6 n ASN 108 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 3if6 s GLN 109 N -2.81 1.10 0.24 -3.83 -0.21 -0.96 -5.12 119.66 108.07 3if6 s GLN 109 Ca 0.54 -0.83 -0.31 0.00 0.02 0.00 0.00 55.36 54.78 3if6 s GLN 109 Cb 0.42 -1.15 -0.13 0.00 1.00 0.00 0.00 33.01 33.15 3if6 s GLN 109 CO 0.15 0.29 1.58 -0.25 -2.12 0.00 0.00 175.29 174.94 3if6 n ASP 110 N 1.88 3.50 -4.57 5.90 8.00 -1.26 -4.69 116.55 125.30 3if6 n ASP 110 Ca -0.18 1.11 -0.30 0.00 0.71 0.00 0.00 54.79 56.14 3if6 n ASP 110 Cb 0.54 -1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 3if6 n ASP 110 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3if6 s GLN 111 N 0.17 2.15 0.33 -1.24 -1.52 0.51 -4.96 119.66 115.10 3if6 s GLN 111 Ca 0.70 -1.00 0.06 0.00 -1.95 0.00 0.00 55.36 53.17 3if6 s GLN 111 Cb -0.57 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 3if6 s GLN 111 CO 0.43 0.52 0.29 0.16 -0.25 0.00 0.00 175.29 176.44 3if6 s ASP 112 N -2.10 1.57 0.43 5.90 1.47 -1.26 -0.08 116.67 122.59 3if6 s ASP 112 Ca 0.21 -1.73 0.23 0.00 1.18 0.00 0.00 52.55 52.44 3if6 s ASP 112 Cb -0.11 0.56 1.22 0.00 -0.34 0.00 0.00 42.92 44.25 3if6 s ASP 112 CO 0.13 -1.08 1.77 -0.07 0.68 0.00 0.00 175.17 176.60 3if6 h LEU 113 N 2.15 0.34 0.08 2.11 4.07 -1.78 -1.73 115.31 120.55 3if6 h LEU 113 Ca -0.26 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3if6 h LEU 113 Cb 1.23 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3if6 h LEU 113 CO 0.37 0.05 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.65 3if6 h ARG 114 N 0.29 -0.10 -0.83 1.13 9.65 -1.96 -2.06 114.38 120.49 3if6 h ARG 114 Ca 0.60 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.46 3if6 h ARG 114 Cb 1.72 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 30.29 3if6 h ARG 114 CO -0.24 0.44 0.41 0.66 2.80 0.00 0.00 179.97 184.03 3if6 h SER 115 N -0.78 1.08 -0.64 -3.80 4.64 -1.92 -2.35 113.55 109.79 3if6 h SER 115 Ca -0.01 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3if6 h SER 115 Cb 0.59 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3if6 h SER 115 CO 0.02 0.91 0.42 0.00 -0.87 0.00 0.00 176.83 177.30 3if6 h ALA 116 N 1.26 1.52 0.02 5.18 0.00 -1.38 0.30 119.26 126.16 3if6 h ALA 116 Ca 0.29 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3if6 h ALA 116 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3if6 h ALA 116 CO -0.04 0.44 -0.93 1.98 0.00 0.00 0.00 179.25 180.70 3if6 h MET 117 N 0.88 0.21 0.17 0.00 -1.53 -1.21 -3.37 114.93 110.09 3if6 h MET 117 Ca 0.24 -0.25 -0.33 0.00 -3.44 0.00 0.00 59.70 55.92 3if6 h MET 117 Cb -0.09 0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.05 3if6 h MET 117 CO -0.05 1.00 -1.61 0.00 0.14 0.00 0.00 176.91 176.39 3if6 h ARG 118 N 0.11 0.36 -6.21 0.39 3.08 -1.08 -3.47 114.38 107.55 3if6 h ARG 118 Ca -0.05 -0.62 -0.55 0.00 0.07 0.00 0.00 59.98 58.83 3if6 h ARG 118 Cb 1.58 0.23 -0.09 0.00 0.08 0.00 0.00 29.97 31.78 3if6 h ARG 118 CO 0.14 1.30 -0.62 -0.80 -1.07 0.00 0.00 179.97 178.92 3if6 s ASN 119 N -7.24 4.75 -0.03 7.04 0.01 0.07 -5.08 114.94 114.46 3if6 s ASN 119 Ca -0.17 -0.55 -0.36 0.00 -0.71 0.00 0.00 52.86 51.07 3if6 s ASN 119 Cb 0.05 -0.97 -0.14 0.00 0.41 0.00 0.00 41.25 40.60 3if6 s ASN 119 CO 0.84 -0.00 1.65 -0.24 -1.51 0.00 0.00 177.10 177.84 3if6 n SER 120 N -0.91 2.72 -2.96 -1.22 2.88 -1.26 -4.65 113.62 108.21 3if6 n SER 120 Ca -0.07 1.06 -0.15 0.00 -1.33 0.00 0.00 58.87 58.38 3if6 n SER 120 Cb 0.59 -1.29 0.01 0.00 -0.75 0.00 0.00 64.21 62.76 3if6 n SER 120 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3if6 n THR 121 N 3.99 -0.23 -0.13 2.46 -1.04 -1.26 -5.00 114.28 113.07 3if6 n THR 121 Ca 0.21 -2.87 -0.09 0.00 -2.04 0.00 0.00 64.05 59.26 3if6 n THR 121 Cb 0.23 0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.89 3if6 n THR 121 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 3if6 h VAL 122 N 2.29 1.21 -0.68 12.58 -1.51 -1.95 -2.98 116.25 125.21 3if6 h VAL 122 Ca -0.02 -0.66 0.12 0.00 -1.23 0.00 0.00 66.70 64.91 3if6 h VAL 122 Cb 0.99 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 31.04 3if6 h VAL 122 CO 0.36 0.23 0.45 4.11 -1.23 0.00 0.00 177.57 181.50 3if6 h TRP 123 N 0.47 0.46 -0.11 5.19 5.08 -1.98 -1.90 115.95 123.15 3if6 h TRP 123 Ca 0.12 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.10 3if6 h TRP 123 Cb 0.23 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.24 3if6 h TRP 123 CO 0.01 0.20 0.03 0.28 -1.28 0.00 0.00 178.44 177.68 3if6 h VAL 124 N 0.41 1.18 0.00 0.12 2.07 -1.95 0.62 116.25 118.70 3if6 h VAL 124 Ca 0.32 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3if6 h VAL 124 Cb 0.70 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3if6 h VAL 124 CO -0.10 0.16 -0.13 1.88 0.02 0.00 0.00 177.57 179.41 3if6 h TYR 125 N -0.01 0.00 -0.09 1.57 -1.99 -1.58 -0.21 116.97 114.66 3if6 h TYR 125 Ca 0.04 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.59 3if6 h TYR 125 Cb 0.23 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.97 3if6 h TYR 125 CO 0.00 0.13 -0.63 0.93 -0.00 0.00 0.00 178.16 178.58 3if6 h GLU 126 N 0.00 0.58 -0.38 4.88 5.08 -1.24 -2.19 114.58 121.31 3if6 h GLU 126 Ca -0.00 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 3if6 h GLU 126 Cb 0.92 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3if6 h GLU 126 CO 0.02 1.13 0.08 1.25 -1.00 0.00 0.00 179.01 180.49 3if6 h LEU 127 N 0.21 0.52 -0.31 1.33 5.85 -0.57 -0.78 115.31 121.57 3if6 h LEU 127 Ca -0.05 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3if6 h LEU 127 Cb 1.29 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3if6 h LEU 127 CO 0.13 0.54 0.17 -0.26 -0.34 0.00 0.00 178.44 178.68 3if6 h PHE 128 N 0.55 0.42 -0.46 1.25 0.04 -1.03 -2.28 116.94 115.44 3if6 h PHE 128 Ca 0.13 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3if6 h PHE 128 Cb 0.23 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3if6 h PHE 128 CO 0.01 0.34 0.23 0.00 -0.60 0.00 0.00 178.31 178.29 3if6 h ALA 129 N 1.04 0.57 -0.16 2.45 0.00 -1.01 -0.16 119.26 122.00 3if6 h ALA 129 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3if6 h ALA 129 Cb 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3if6 h ALA 129 CO -0.02 -0.13 -0.51 -0.22 0.00 0.00 0.00 179.25 178.38 3if6 h LYS 130 N 0.45 -0.49 -0.51 0.00 1.63 -1.03 -1.11 116.57 115.50 3if6 h LYS 130 Ca 0.20 0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.93 3if6 h LYS 130 Cb 0.11 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 3if6 h LYS 130 CO -0.14 -0.33 -0.10 -0.44 -3.45 0.00 0.00 179.45 174.99 3if6 h ASP 131 N -0.51 0.94 -0.80 4.20 3.32 -1.02 -2.24 116.42 120.30 3if6 h ASP 131 Ca 0.04 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3if6 h ASP 131 Cb 0.62 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3if6 h ASP 131 CO -0.43 1.05 0.45 0.40 -1.72 0.00 0.00 179.24 178.99 3if6 h ILE 132 N 0.85 1.24 -1.61 0.35 2.04 -1.03 -3.49 117.51 115.85 3if6 h ILE 132 Ca 0.14 -0.58 0.16 0.00 1.00 0.00 0.00 64.86 65.58 3if6 h ILE 132 Cb 0.64 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 3if6 h ILE 132 CO 0.04 0.26 -0.58 0.61 0.00 0.00 0.00 178.15 178.49 3if6 n GLY 133 N -1.12 -2.92 0.24 5.37 0.00 -0.42 -4.13 105.19 102.21 3if6 n GLY 133 Ca 0.08 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 3if6 n GLY 133 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3if6 h GLU 134 N -0.65 -0.19 -0.58 1.61 4.81 -1.88 -2.52 114.58 115.18 3if6 h GLU 134 Ca -0.09 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3if6 h GLU 134 Cb 0.64 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3if6 h GLU 134 CO 0.03 -0.12 0.02 -0.44 -0.73 0.00 0.00 179.01 177.77 3if6 h ASP 135 N -0.19 0.99 -0.07 1.04 3.32 -2.00 -0.45 116.42 119.06 3if6 h ASP 135 Ca 0.14 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.72 3if6 h ASP 135 Cb 0.40 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3if6 h ASP 135 CO -0.35 1.04 -0.54 0.50 -1.72 0.00 0.00 179.24 178.17 3if6 h LYS 136 N 0.90 0.65 -0.42 3.56 3.64 -1.71 -2.28 116.57 120.92 3if6 h LYS 136 Ca 0.17 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3if6 h LYS 136 Cb 0.52 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3if6 h LYS 136 CO 0.03 1.02 0.21 0.00 -2.27 0.00 0.00 179.45 178.44 3if6 h ALA 137 N 0.90 0.53 -0.81 5.00 0.00 -0.98 0.13 119.26 124.03 3if6 h ALA 137 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3if6 h ALA 137 Cb 1.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3if6 h ALA 137 CO 0.11 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.95 3if6 h ARG 138 N 0.53 1.08 -0.20 0.00 3.08 -1.09 -1.91 114.38 115.87 3if6 h ARG 138 Ca 0.14 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3if6 h ARG 138 Cb 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3if6 h ARG 138 CO -0.02 0.74 0.05 -0.09 -1.07 0.00 0.00 179.97 179.58 3if6 h ARG 139 N 1.10 0.32 -0.49 0.04 2.43 -0.89 -2.66 114.38 114.22 3if6 h ARG 139 Ca 0.29 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3if6 h ARG 139 Cb -0.08 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3if6 h ARG 139 CO -0.06 0.43 0.24 1.88 -1.51 0.00 0.00 179.97 180.96 3if6 h TYR 140 N 0.14 0.44 -0.14 2.20 0.05 -0.63 -0.88 116.97 118.16 3if6 h TYR 140 Ca 0.06 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 3if6 h TYR 140 Cb 0.26 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3if6 h TYR 140 CO 0.01 0.21 -0.17 -0.07 -1.05 0.00 0.00 178.16 177.09 3if6 h LEU 141 N 0.47 0.21 0.39 3.88 3.38 -1.30 -0.46 115.31 121.89 3if6 h LEU 141 Ca 0.22 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3if6 h LEU 141 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3if6 h LEU 141 CO -0.16 0.41 -0.19 0.11 0.09 0.00 0.00 178.44 178.70 3if6 h LYS 142 N 0.21 -0.50 -0.87 1.13 1.79 -1.22 0.19 116.57 117.31 3if6 h LYS 142 Ca 0.04 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.66 3if6 h LYS 142 Cb 0.43 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 3if6 h LYS 142 CO 0.03 -0.21 0.56 1.96 -1.08 0.00 0.00 179.45 180.71 3if6 h GLN 143 N -0.77 0.76 -0.00 3.15 4.20 -0.83 -2.39 115.11 119.22 3if6 h GLN 143 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3if6 h GLN 143 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3if6 h GLN 143 CO 0.09 0.50 -0.69 0.44 -0.67 0.00 0.00 178.83 178.50 3if6 n ILE 144 N -4.53 0.00 -3.23 2.54 -5.35 -0.21 -4.83 119.36 103.75 3if6 n ILE 144 Ca 0.15 -0.06 -0.23 0.00 -0.27 0.00 0.00 62.75 62.35 3if6 n ILE 144 Cb 0.36 0.79 0.01 0.00 -1.74 0.00 0.00 39.64 39.06 3if6 n ILE 144 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3if6 n ASP 145 N -1.13 -4.44 -0.21 7.28 2.03 0.66 -4.82 116.55 115.91 3if6 n ASP 145 Ca 0.06 -0.34 -0.08 0.00 0.52 0.00 0.00 54.79 54.96 3if6 n ASP 145 Cb 0.36 -3.65 0.03 0.00 -0.72 0.00 0.00 41.12 37.14 3if6 n ASP 145 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3if6 h TYR 146 N -1.06 0.97 -4.22 -0.67 3.20 -1.86 -3.48 116.97 109.85 3if6 h TYR 146 Ca -0.45 -0.10 -0.48 0.00 3.14 0.00 0.00 58.73 60.83 3if6 h TYR 146 Cb 1.31 -0.28 0.12 0.00 1.54 0.00 0.00 36.73 39.42 3if6 h TYR 146 CO 0.63 0.81 0.31 0.20 -1.64 0.00 0.00 178.16 178.47 3if6 s GLY 147 N -3.26 1.61 0.30 1.82 0.00 -1.26 -4.77 107.32 101.75 3if6 s GLY 147 Ca -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 3if6 s GLY 147 CO 0.81 0.22 1.93 3.45 0.00 0.00 0.00 173.10 179.52 3if6 h ASN 148 N -1.28 0.85 0.00 1.64 -0.00 -1.87 -3.46 115.58 111.45 3if6 h ASN 148 Ca -0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.75 3if6 h ASN 148 Cb 1.29 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.39 3if6 h ASN 148 CO 0.59 0.68 0.00 0.52 -0.00 0.00 0.00 177.43 179.22 3if6 n VAL 149 N -4.37 0.00 -4.15 6.14 0.31 -1.26 -4.87 118.33 110.12 3if6 n VAL 149 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 3if6 n VAL 149 Cb 0.09 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.86 3if6 n VAL 149 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3if6 s ASP 150 N -2.85 0.98 0.06 4.52 -0.00 -1.26 -4.58 116.67 113.55 3if6 s ASP 150 Ca 0.00 -0.13 0.06 0.00 -0.00 0.00 0.00 52.55 52.48 3if6 s ASP 150 Cb 0.00 -0.46 -0.04 0.00 -0.00 0.00 0.00 42.92 42.43 3if6 s ASP 150 CO 0.00 -0.06 -0.13 -2.84 -0.00 0.00 0.00 175.17 172.15 3if6 s PRO 151 N 0.94 2.16 0.22 8.23 0.02 -1.26 -4.95 135.00 140.36 3if6 s PRO 151 Ca -0.11 -0.96 -0.08 0.00 0.02 0.00 0.00 61.00 59.87 3if6 s PRO 151 Cb -0.14 -2.29 0.18 0.00 0.02 0.00 0.00 34.50 32.27 3if6 s PRO 151 CO -0.00 0.53 1.82 1.03 -0.33 0.00 0.00 177.00 180.06 3if6 h SER 152 N 4.11 1.08 -4.34 2.53 0.87 -1.97 -3.44 113.55 112.39 3if6 h SER 152 Ca -0.48 -0.12 -0.29 0.00 -1.23 0.00 0.00 61.79 59.66 3if6 h SER 152 Cb 1.16 -0.28 -0.15 0.00 -0.44 0.00 0.00 62.40 62.70 3if6 h SER 152 CO 0.50 0.90 -0.68 0.28 -0.53 0.00 0.00 176.83 177.30 3if6 s THR 153 N -5.75 0.83 0.00 2.23 -1.32 -1.26 -5.04 115.64 105.33 3if6 s THR 153 Ca -0.13 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 3if6 s THR 153 Cb 0.16 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 3if6 s THR 153 CO 0.83 -0.60 0.23 -0.38 -2.21 0.00 0.00 174.62 172.48 3if6 n ILE 154 N -0.21 0.00 0.23 5.08 5.41 -1.26 -4.84 119.36 123.76 3if6 n ILE 154 Ca -0.08 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.77 3if6 n ILE 154 Cb 0.62 0.70 0.48 0.00 -0.71 0.00 0.00 39.64 40.73 3if6 n ILE 154 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3if6 h LYS 155 N 0.00 0.00 0.00 0.38 1.57 -2.00 -3.44 116.57 113.08 3if6 h LYS 155 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3if6 h LYS 155 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3if6 h LYS 155 CO 0.00 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 3if6 n GLY 156 N 0.10 2.39 3.51 3.86 0.00 -1.26 -5.00 105.19 108.79 3if6 n GLY 156 Ca 0.00 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 3if6 n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3if6 n ASP 157 N -1.21 3.98 0.24 1.61 10.43 -1.26 -4.80 116.55 125.55 3if6 n ASP 157 Ca 0.00 -2.81 0.17 0.00 2.57 0.00 0.00 54.79 54.71 3if6 n ASP 157 Cb 0.00 -1.71 0.78 0.00 1.84 0.00 0.00 41.12 42.03 3if6 n ASP 157 CO 0.00 0.00 0.00 0.10 -1.07 0.00 0.00 177.20 176.23 3if6 h TYR 158 N 8.37 0.00 0.00 1.24 -0.00 -1.90 -1.20 116.97 123.47 3if6 h TYR 158 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.09 3if6 h TYR 158 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.60 3if6 h TYR 158 CO 1.33 0.00 -0.21 -2.67 -0.00 0.00 0.00 178.16 176.61 3if6 n TRP 159 N -2.75 0.28 0.00 0.10 2.14 -1.26 -1.28 117.44 114.66 3if6 n TRP 159 Ca -0.00 0.08 0.00 0.00 2.07 0.00 0.00 57.50 59.65 3if6 n TRP 159 Cb 0.17 -0.56 0.00 0.00 -0.81 0.00 0.00 31.31 30.12 3if6 n TRP 159 CO 0.00 0.00 0.00 1.51 2.07 0.00 0.00 177.69 181.27 3if6 n ILE 160 N -1.75 0.00 1.47 -1.67 3.06 -0.83 -0.78 119.36 118.86 3if6 n ILE 160 Ca 0.06 -0.06 0.14 0.00 -2.50 0.00 0.00 62.75 60.39 3if6 n ILE 160 Cb 0.37 0.43 0.64 0.00 0.54 0.00 0.00 39.64 41.63 3if6 n ILE 160 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3if6 n ASP 161 N -0.70 0.50 0.00 9.51 5.68 -0.52 -4.90 116.55 126.12 3if6 n ASP 161 Ca 0.00 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 3if6 n ASP 161 Cb 0.00 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3if6 n ASP 161 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3if6 n GLY 162 N 1.24 2.45 0.26 6.12 0.00 -1.26 -4.96 105.19 109.05 3if6 n GLY 162 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3if6 n GLY 162 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3if6 h ASN 163 N 0.20 0.00 -3.69 1.61 2.35 -1.89 -3.41 115.58 110.76 3if6 h ASN 163 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 3if6 h ASN 163 Cb 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.05 3if6 h ASN 163 CO 0.00 0.10 -0.87 -0.22 -1.65 0.00 0.00 177.43 174.80 3if6 s LEU 164 N -7.83 2.00 0.02 1.61 2.96 -0.41 -4.34 118.68 112.69 3if6 s LEU 164 Ca -0.04 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3if6 s LEU 164 Cb 0.14 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 3if6 s LEU 164 CO 0.61 0.17 -0.04 -0.54 -1.32 0.00 0.00 176.35 175.24 3if6 s LYS 165 N 0.14 0.30 0.10 1.98 1.02 -1.26 -4.14 119.74 117.88 3if6 s LYS 165 Ca -0.10 -0.47 -0.08 0.00 0.02 0.00 0.00 55.97 55.34 3if6 s LYS 165 Cb -0.15 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 3if6 s LYS 165 CO 0.05 -0.00 0.19 -1.50 -0.92 0.00 0.00 175.35 173.16 3if6 s ILE 166 N -1.00 0.14 0.39 2.17 2.07 0.17 -2.65 121.20 122.49 3if6 s ILE 166 Ca -0.10 -1.27 0.08 0.00 -1.41 0.00 0.00 60.65 57.95 3if6 s ILE 166 Cb -0.07 -1.45 -0.06 0.00 0.13 0.00 0.00 42.46 41.01 3if6 s ILE 166 CO -0.00 -0.62 0.10 -0.94 -1.91 0.00 0.00 174.94 171.57 3if6 s SER 167 N -2.89 4.26 0.08 4.50 1.04 -1.26 0.47 113.70 119.90 3if6 s SER 167 Ca 0.07 -1.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.12 3if6 s SER 167 Cb 0.05 -0.48 -0.17 0.00 0.10 0.00 0.00 66.02 65.52 3if6 s SER 167 CO -0.09 -0.44 1.67 0.00 0.98 0.00 0.00 173.24 175.36 3if6 h ALA 168 N 1.59 -0.42 -0.86 5.32 0.00 -1.65 0.16 119.26 123.42 3if6 h ALA 168 Ca -0.43 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.49 3if6 h ALA 168 Cb 1.25 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 3if6 h ALA 168 CO 0.71 -0.73 0.55 0.45 0.00 0.00 0.00 179.25 180.24 3if6 h HIS 169 N -0.43 0.87 -0.10 0.00 3.86 -1.84 -0.61 115.15 116.90 3if6 h HIS 169 Ca -0.04 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 3if6 h HIS 169 Cb 0.33 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3if6 h HIS 169 CO -0.05 0.39 -0.44 0.93 0.86 0.00 0.00 177.93 179.62 3if6 h GLU 170 N 0.80 0.24 -0.89 2.45 5.08 -1.65 -2.53 114.58 118.08 3if6 h GLU 170 Ca 0.40 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3if6 h GLU 170 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3if6 h GLU 170 CO -0.17 0.64 0.49 1.96 -1.00 0.00 0.00 179.01 180.93 3if6 h GLN 171 N 0.19 1.23 -0.25 2.33 1.08 0.87 -2.06 115.11 118.50 3if6 h GLN 171 Ca 0.01 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 3if6 h GLN 171 Cb 0.86 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3if6 h GLN 171 CO 0.07 0.89 0.08 0.82 -0.95 0.00 0.00 178.83 179.74 3if6 h ILE 172 N 1.23 1.20 0.38 2.54 1.08 -1.06 -2.04 117.51 120.85 3if6 h ILE 172 Ca 0.31 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3if6 h ILE 172 Cb 0.01 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3if6 h ILE 172 CO -0.05 0.20 -0.47 -0.07 -0.69 0.00 0.00 178.15 177.08 3if6 h LEU 173 N 0.24 -1.30 -0.73 1.44 3.38 -1.30 -0.82 115.31 116.21 3if6 h LEU 173 Ca 0.08 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.29 3if6 h LEU 173 Cb 0.24 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 3if6 h LEU 173 CO -0.00 -0.60 0.30 0.15 0.09 0.00 0.00 178.44 178.38 3if6 h PHE 174 N -0.88 0.53 -0.34 1.13 3.57 -1.35 -2.09 116.94 117.51 3if6 h PHE 174 Ca -0.04 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3if6 h PHE 174 Cb 0.80 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3if6 h PHE 174 CO -0.28 0.10 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.42 3if6 h LEU 175 N 0.47 0.94 -0.86 0.59 3.38 -1.23 -2.32 115.31 116.27 3if6 h LEU 175 Ca 0.39 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3if6 h LEU 175 Cb 0.55 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3if6 h LEU 175 CO -0.37 1.23 0.57 -0.09 0.09 0.00 0.00 178.44 179.87 3if6 h ARG 176 N 0.66 1.13 -0.22 1.13 2.43 -0.74 -0.24 114.38 118.54 3if6 h ARG 176 Ca 0.05 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3if6 h ARG 176 Cb 1.00 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 3if6 h ARG 176 CO 0.10 0.75 -0.01 0.87 -1.51 0.00 0.00 179.97 180.17 3if6 h LYS 177 N 1.17 0.06 0.02 0.20 1.57 -1.26 -2.47 116.57 115.86 3if6 h LYS 177 Ca 0.31 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3if6 h LYS 177 Cb -0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3if6 h LYS 177 CO -0.07 0.04 -0.08 1.25 -0.57 0.00 0.00 179.45 180.03 3if6 h LEU 178 N 0.06 -0.21 -0.99 2.94 5.85 -0.85 -0.88 115.31 121.23 3if6 h LEU 178 Ca 0.10 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.07 3if6 h LEU 178 Cb 0.14 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 3if6 h LEU 178 CO -0.18 -0.11 0.58 0.22 -0.34 0.00 0.00 178.44 178.60 3if6 h TYR 179 N -0.14 1.00 -0.49 1.25 3.20 -1.03 -2.33 116.97 118.43 3if6 h TYR 179 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3if6 h TYR 179 Cb 0.17 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3if6 h TYR 179 CO -0.13 0.12 0.00 0.54 -1.64 0.00 0.00 178.16 177.05 3if6 n ARG 180 N -4.86 2.24 -1.39 1.82 1.74 -0.74 -4.91 116.66 110.56 3if6 n ARG 180 Ca 0.25 -1.91 -0.13 0.00 -0.77 0.00 0.00 57.85 55.28 3if6 n ARG 180 Cb 0.66 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.62 3if6 n ARG 180 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3if6 n ASN 181 N 1.06 -5.00 0.00 0.55 3.02 -0.81 -4.89 115.26 109.19 3if6 n ASN 181 Ca 0.18 0.33 0.12 0.00 -0.03 0.00 0.00 54.58 55.18 3if6 n ASN 181 Cb 0.46 -3.68 0.53 0.00 -0.61 0.00 0.00 39.78 36.48 3if6 n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if6 n GLN 182 N -2.09 0.05 -2.27 3.52 6.02 -0.41 -4.90 117.38 117.29 3if6 n GLN 182 Ca -0.13 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.61 3if6 n GLN 182 Cb 0.50 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 3if6 n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3if6 s LEU 183 N -2.93 3.64 0.00 1.08 1.43 -1.25 -4.90 118.68 115.74 3if6 s LEU 183 Ca 0.13 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.06 3if6 s LEU 183 Cb 0.16 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.84 3if6 s LEU 183 CO 0.43 -0.95 0.91 -0.81 0.23 0.00 0.00 176.35 176.16 3if6 n PRO 184 N -1.59 0.46 -4.47 1.29 -0.04 -1.26 -4.78 135.00 124.61 3if6 n PRO 184 Ca 0.09 -0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 3if6 n PRO 184 Cb 0.53 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 3if6 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3if6 s PHE 185 N 1.10 2.13 0.34 0.54 0.08 -1.26 -5.10 117.98 115.81 3if6 s PHE 185 Ca 0.00 -0.59 -0.26 0.00 0.12 0.00 0.00 56.93 56.20 3if6 s PHE 185 Cb 0.00 -1.18 -0.13 0.00 -0.57 0.00 0.00 43.02 41.14 3if6 s PHE 185 CO 0.00 0.43 1.00 1.63 -0.10 0.00 0.00 175.22 178.19 3if6 n LYS 186 N -0.65 1.37 -0.08 0.44 5.02 -1.26 -4.85 118.16 118.15 3if6 n LYS 186 Ca -0.05 0.49 0.01 0.00 -2.02 0.00 0.00 58.31 56.74 3if6 n LYS 186 Cb 0.63 -1.93 0.32 0.00 -0.02 0.00 0.00 35.03 34.03 3if6 n LYS 186 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3if6 h VAL 187 N 1.82 1.16 -0.44 -0.18 2.07 -1.93 -2.43 116.25 116.33 3if6 h VAL 187 Ca -0.42 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 3if6 h VAL 187 Cb 1.34 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3if6 h VAL 187 CO 0.59 0.18 -0.04 1.05 0.02 0.00 0.00 177.57 179.37 3if6 h GLU 188 N 0.72 0.74 -0.53 1.57 4.11 -1.98 0.92 114.58 120.13 3if6 h GLU 188 Ca 0.19 -0.21 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 3if6 h GLU 188 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3if6 h GLU 188 CO -0.03 0.78 -0.01 0.45 0.07 0.00 0.00 179.01 180.27 3if6 h HIS 189 N 0.69 1.02 -0.70 2.06 3.86 -1.81 0.30 115.15 120.57 3if6 h HIS 189 Ca 0.13 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3if6 h HIS 189 Cb 0.48 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3if6 h HIS 189 CO 0.02 0.94 0.17 1.96 0.86 0.00 0.00 177.93 181.88 3if6 h GLN 190 N 0.81 1.12 -0.32 2.45 4.20 -1.02 -1.82 115.11 120.54 3if6 h GLN 190 Ca 0.15 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 3if6 h GLN 190 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3if6 h GLN 190 CO 0.03 0.99 -0.34 0.00 -0.67 0.00 0.00 178.83 178.84 3if6 h ARG 191 N 1.06 0.71 0.05 1.46 3.08 -0.62 -2.02 114.38 118.10 3if6 h ARG 191 Ca 0.22 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3if6 h ARG 191 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3if6 h ARG 191 CO 0.00 0.94 -0.03 1.25 -1.07 0.00 0.00 179.97 181.07 3if6 h LEU 192 N 0.60 -0.06 -0.78 3.04 5.85 -0.82 -2.26 115.31 120.88 3if6 h LEU 192 Ca 0.06 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3if6 h LEU 192 Cb 0.86 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3if6 h LEU 192 CO 0.07 0.16 0.48 0.58 -0.34 0.00 0.00 178.44 179.40 3if6 h VAL 193 N -0.28 1.22 0.00 1.05 2.07 -1.25 -0.96 116.25 118.10 3if6 h VAL 193 Ca -0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3if6 h VAL 193 Cb 0.25 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3if6 h VAL 193 CO 0.01 0.22 0.00 0.11 0.02 0.00 0.00 177.57 177.93 3if6 h LYS 194 N 1.07 0.00 0.22 1.57 1.57 -1.34 -2.23 116.57 117.44 3if6 h LYS 194 Ca 0.28 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.76 3if6 h LYS 194 Cb -0.06 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.29 3if6 h LYS 194 CO -0.05 0.00 -1.32 0.22 -0.57 0.00 0.00 179.45 177.73 3if6 h ASP 195 N 0.00 0.77 0.15 0.86 3.58 -0.60 -3.29 116.42 117.89 3if6 h ASP 195 Ca 0.00 -0.92 -0.01 0.00 0.42 0.00 0.00 57.03 56.52 3if6 h ASP 195 Cb 0.32 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3if6 h ASP 195 CO 0.00 1.64 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.87 3if6 h LEU 196 N 0.04 0.00 -0.31 2.28 3.38 -0.70 -2.35 115.31 117.66 3if6 h LEU 196 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3if6 h LEU 196 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3if6 h LEU 196 CO 0.25 0.06 0.00 0.23 0.09 0.00 0.00 178.44 179.07 3if6 n MET 197 N -3.83 0.20 -1.66 1.13 2.81 -0.89 -4.86 117.12 110.02 3if6 n MET 197 Ca -0.03 0.29 -0.43 0.00 -1.81 0.00 0.00 57.70 55.73 3if6 n MET 197 Cb 0.15 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.84 3if6 n MET 197 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3if6 n ILE 198 N -2.15 0.73 0.07 2.02 5.41 -0.89 -1.31 119.36 123.24 3if6 n ILE 198 Ca 0.04 -0.16 0.06 0.00 1.00 0.00 0.00 62.75 63.69 3if6 n ILE 198 Cb 0.32 -2.30 -0.10 0.00 -0.71 0.00 0.00 39.64 36.85 3if6 n ILE 198 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3if6 n THR 199 N 5.69 0.00 -3.56 1.39 -2.24 -0.56 -4.94 114.28 110.05 3if6 n THR 199 Ca 0.21 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 3if6 n THR 199 Cb 0.40 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3if6 n THR 199 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3if6 s GLU 200 N -2.79 0.59 0.05 -0.78 2.12 -1.19 -5.06 118.70 111.64 3if6 s GLU 200 Ca -0.03 0.00 -0.27 0.00 0.36 0.00 0.00 54.97 55.03 3if6 s GLU 200 Cb 0.08 0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.83 3if6 s GLU 200 CO 0.53 -0.21 0.68 0.00 -0.54 0.00 0.00 175.26 175.71 3if6 s ALA 201 N -1.73 -1.70 0.00 6.30 0.00 -1.26 -1.32 121.76 122.05 3if6 s ALA 201 Ca 0.02 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3if6 s ALA 201 Cb -0.01 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3if6 s ALA 201 CO -0.02 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3if6 n GLY 202 N 0.13 4.35 0.36 0.00 0.00 0.01 -5.00 105.19 105.04 3if6 n GLY 202 Ca -0.16 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.00 3if6 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3if6 h ARG 203 N 0.00 0.96 -0.00 1.61 3.08 -2.03 -3.28 114.38 114.72 3if6 h ARG 203 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3if6 h ARG 203 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3if6 h ARG 203 CO 0.00 0.64 -0.22 0.43 -1.07 0.00 0.00 179.97 179.75 3if6 n SER 204 N -4.50 0.49 -4.00 7.04 7.64 -1.26 -5.02 113.62 114.01 3if6 n SER 204 Ca 0.14 -0.75 -0.14 0.00 1.01 0.00 0.00 58.87 59.14 3if6 n SER 204 Cb 0.23 0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 64.12 3if6 n SER 204 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3if6 s TRP 205 N -1.35 0.51 -0.19 1.43 1.48 -1.24 -3.68 118.94 115.91 3if6 s TRP 205 Ca 0.03 -0.29 0.01 0.00 -1.06 0.00 0.00 56.10 54.79 3if6 s TRP 205 Cb 0.04 -0.32 0.03 0.00 -1.16 0.00 0.00 33.47 32.07 3if6 s TRP 205 CO 0.20 -0.05 -0.14 0.42 -4.06 0.00 0.00 176.95 173.32 3if6 s ILE 206 N -0.73 1.77 -0.37 0.66 1.01 -0.49 -0.81 121.20 122.23 3if6 s ILE 206 Ca -0.04 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 3if6 s ILE 206 Cb -0.06 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3if6 s ILE 206 CO 0.00 0.32 0.85 -0.22 0.00 0.00 0.00 174.94 175.89 3if6 s LEU 207 N 1.37 4.07 -0.28 2.97 2.96 -0.43 -0.93 118.68 128.41 3if6 s LEU 207 Ca 0.01 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3if6 s LEU 207 Cb -0.15 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.48 3if6 s LEU 207 CO -0.10 -0.81 -0.07 -0.13 -1.32 0.00 0.00 176.35 173.93 3if6 s ARG 208 N 3.29 2.08 0.14 1.98 0.52 0.36 -1.50 118.95 125.82 3if6 s ARG 208 Ca 0.34 -1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 53.95 3if6 s ARG 208 Cb -0.12 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.39 3if6 s ARG 208 CO 0.18 -0.66 0.36 0.00 0.02 0.00 0.00 175.30 175.20 3if6 s ALA 209 N 1.06 -0.60 -0.06 2.13 0.00 -0.43 -0.57 121.76 123.29 3if6 s ALA 209 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3if6 s ALA 209 Cb -0.20 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.67 3if6 s ALA 209 CO -0.06 -0.65 0.12 0.21 0.00 0.00 0.00 175.76 175.39 3if6 s LYS 210 N -3.86 0.06 0.47 0.00 2.47 -0.46 -4.72 119.74 113.70 3if6 s LYS 210 Ca 0.07 0.36 -0.10 0.00 -1.56 0.00 0.00 55.97 54.74 3if6 s LYS 210 Cb 0.02 -0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.13 3if6 s LYS 210 CO -0.08 -0.18 0.83 0.95 0.16 0.00 0.00 175.35 177.03 3if6 s THR 211 N 1.28 4.78 0.02 3.43 -4.23 -1.26 -1.82 115.64 117.85 3if6 s THR 211 Ca -0.08 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 3if6 s THR 211 Cb -0.12 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 3if6 s THR 211 CO -0.05 -0.72 -0.04 -0.83 -0.54 0.00 0.00 174.62 172.43 3if6 s GLY 212 N -3.56 0.29 -0.25 3.99 0.00 0.12 -3.97 107.32 103.93 3if6 s GLY 212 Ca 0.51 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 3if6 s GLY 212 CO 0.38 -0.50 0.44 0.86 0.00 0.00 0.00 173.10 174.28 3if6 s TRP 213 N -0.91 -0.99 -0.16 1.90 -0.00 -1.26 -0.39 118.94 117.13 3if6 s TRP 213 Ca -0.08 1.20 0.18 0.00 -0.00 0.00 0.00 56.10 57.40 3if6 s TRP 213 Cb -0.07 0.21 -0.08 0.00 -0.00 0.00 0.00 33.47 33.54 3if6 s TRP 213 CO -0.00 -0.70 0.95 1.49 -0.00 0.00 0.00 176.95 178.69 3if6 h GLU 214 N 8.14 0.00 0.00 5.86 4.22 -1.42 -3.45 114.58 127.93 3if6 h GLU 214 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.25 3if6 h GLU 214 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3if6 h GLU 214 CO 0.23 0.23 0.00 0.41 -2.18 0.00 0.00 179.01 177.71 3if6 n GLY 215 N 1.32 2.78 0.14 1.92 0.00 -1.26 -4.84 105.19 105.25 3if6 n GLY 215 Ca -0.06 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.25 3if6 n GLY 215 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3if6 h ARG 216 N 0.00 0.00 -3.72 1.61 3.08 -1.95 -3.43 114.38 109.96 3if6 h ARG 216 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3if6 h ARG 216 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 3if6 h ARG 216 CO 0.00 0.15 -0.26 -0.59 -1.07 0.00 0.00 179.97 178.20 3if6 s PHE 217 N -3.16 0.16 0.11 3.04 -0.12 -1.26 0.12 117.98 116.87 3if6 s PHE 217 Ca 0.02 -0.54 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3if6 s PHE 217 Cb 0.08 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3if6 s PHE 217 CO 0.76 -0.67 -0.08 0.20 -0.05 0.00 0.00 175.22 175.37 3if6 s GLY 218 N -2.89 0.84 0.22 1.99 0.00 0.35 -1.03 107.32 106.80 3if6 s GLY 218 Ca 0.10 -1.31 0.11 0.00 0.00 0.00 0.00 44.72 43.61 3if6 s GLY 218 CO -0.06 -1.41 -0.19 -0.98 0.00 0.00 0.00 173.10 170.46 3if6 s TRP 219 N -3.15 2.37 -0.15 1.90 0.52 0.48 -1.57 118.94 119.33 3if6 s TRP 219 Ca 0.10 -0.32 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 3if6 s TRP 219 Cb 0.02 -1.13 0.05 0.00 -1.15 0.00 0.00 33.47 31.26 3if6 s TRP 219 CO -0.02 0.57 0.02 -0.46 0.02 0.00 0.00 176.95 177.08 3if6 s TRP 220 N -1.94 0.97 0.07 -1.98 -0.00 -1.03 0.12 118.94 115.16 3if6 s TRP 220 Ca 0.25 -0.66 0.08 0.00 -0.00 0.00 0.00 56.10 55.76 3if6 s TRP 220 Cb -0.07 -0.98 -0.03 0.00 -0.00 0.00 0.00 33.47 32.39 3if6 s TRP 220 CO 0.13 -0.53 -0.20 0.14 -0.00 0.00 0.00 176.95 176.49 3if6 s VAL 221 N 1.87 1.64 -1.66 5.86 -7.23 -0.75 -1.93 120.40 118.21 3if6 s VAL 221 Ca 0.01 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3if6 s VAL 221 Cb -0.15 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3if6 s VAL 221 CO -0.07 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3if6 n GLY 222 N 1.48 -0.41 3.42 2.32 0.00 -0.62 -1.35 105.19 110.03 3if6 n GLY 222 Ca -0.18 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3if6 n GLY 222 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3if6 s TRP 223 N -4.00 -0.54 -0.21 1.61 -2.14 0.27 -0.51 118.94 113.41 3if6 s TRP 223 Ca 0.00 0.35 -0.02 0.00 2.66 0.00 0.00 56.10 59.09 3if6 s TRP 223 Cb 0.00 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.92 3if6 s TRP 223 CO 0.00 -0.84 -0.09 -1.50 -2.66 0.00 0.00 176.95 171.87 3if6 s ILE 224 N -3.65 3.00 0.03 0.66 2.07 -0.76 -0.49 121.20 122.06 3if6 s ILE 224 Ca 0.01 -0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 58.42 3if6 s ILE 224 Cb -0.01 -2.35 -0.06 0.00 0.13 0.00 0.00 42.46 40.17 3if6 s ILE 224 CO -0.12 0.45 0.57 -1.61 -1.91 0.00 0.00 174.94 172.32 3if6 s GLU 225 N 1.42 4.25 0.38 3.50 2.02 -0.11 -1.30 118.70 128.86 3if6 s GLU 225 Ca 0.05 0.71 0.04 0.00 0.02 0.00 0.00 54.97 55.79 3if6 s GLU 225 Cb -0.14 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 3if6 s GLU 225 CO -0.06 0.50 0.07 -1.58 0.02 0.00 0.00 175.26 174.21 3if6 s TRP 226 N -0.62 1.93 0.49 1.61 0.52 -1.00 -1.40 118.94 120.48 3if6 s TRP 226 Ca 0.29 -1.04 0.22 0.00 0.02 0.00 0.00 56.10 55.59 3if6 s TRP 226 Cb -0.19 -1.31 1.27 0.00 -1.15 0.00 0.00 33.47 32.09 3if6 s TRP 226 CO 0.17 -0.04 1.96 -1.35 0.02 0.00 0.00 176.95 177.72 3if6 h PRO 227 N 1.90 0.16 0.00 4.98 0.11 -2.00 -2.58 132.00 134.58 3if6 h PRO 227 Ca -0.40 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 3if6 h PRO 227 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3if6 h PRO 227 CO 0.67 0.11 -1.10 1.79 -0.21 0.00 0.00 178.00 179.25 3if6 h THR 228 N 0.16 0.33 0.00 -1.15 1.35 -1.94 -3.50 112.91 108.16 3if6 h THR 228 Ca 0.31 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3if6 h THR 228 Cb 1.01 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3if6 h THR 228 CO -0.05 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3if6 n GLY 229 N 1.29 -1.41 3.85 5.82 0.00 -0.97 -4.54 105.19 109.23 3if6 n GLY 229 Ca -0.04 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3if6 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3if6 s PRO 230 N -1.71 3.95 -0.36 1.61 0.04 -1.26 -2.36 135.00 134.91 3if6 s PRO 230 Ca 0.00 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 3if6 s PRO 230 Cb 0.00 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.18 3if6 s PRO 230 CO 0.00 0.14 0.11 0.08 0.04 0.00 0.00 177.00 177.37 3if6 s VAL 231 N -2.03 3.05 0.62 -0.36 1.01 -0.42 -0.71 120.40 121.56 3if6 s VAL 231 Ca 0.53 -1.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 3if6 s VAL 231 Cb -0.10 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3if6 s VAL 231 CO 0.20 -0.46 1.06 -0.36 0.00 0.00 0.00 175.10 175.54 3if6 s PHE 232 N 1.15 2.95 -0.01 5.22 0.40 -0.57 -1.83 117.98 125.30 3if6 s PHE 232 Ca 0.04 1.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.72 3if6 s PHE 232 Cb -0.21 -3.01 0.02 0.00 0.51 0.00 0.00 43.02 40.33 3if6 s PHE 232 CO -0.03 -1.21 0.32 -0.59 0.70 0.00 0.00 175.22 174.40 3if6 s PHE 233 N -2.53 -0.18 -0.28 0.36 -0.12 0.33 -2.56 117.98 112.99 3if6 s PHE 233 Ca 0.63 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.76 3if6 s PHE 233 Cb -0.16 0.11 0.18 0.00 -0.63 0.00 0.00 43.02 42.51 3if6 s PHE 233 CO 0.40 -0.42 0.53 0.00 -0.05 0.00 0.00 175.22 175.69 3if6 s ALA 234 N -1.52 -1.94 -0.02 1.99 0.00 -0.65 -1.60 121.76 118.02 3if6 s ALA 234 Ca -0.12 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.26 3if6 s ALA 234 Cb -0.04 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 3if6 s ALA 234 CO 0.03 -1.44 -0.15 -1.17 0.00 0.00 0.00 175.76 173.04 3if6 s LEU 235 N 2.76 2.72 0.13 0.00 0.20 -0.81 -0.62 118.68 123.06 3if6 s LEU 235 Ca 0.16 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.76 3if6 s LEU 235 Cb -0.14 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 3if6 s LEU 235 CO -0.21 0.31 -0.11 0.54 -0.29 0.00 0.00 176.35 176.58 3if6 s ASN 236 N -1.02 1.77 -0.04 3.68 6.03 0.17 -2.46 114.94 123.07 3if6 s ASN 236 Ca 0.13 -0.91 -0.12 0.00 -1.03 0.00 0.00 52.86 50.93 3if6 s ASN 236 Cb -0.11 -0.02 0.02 0.00 -3.03 0.00 0.00 41.25 38.11 3if6 s ASN 236 CO 0.03 -0.26 0.27 0.27 -2.03 0.00 0.00 177.10 175.38 3if6 s ILE 237 N -2.78 0.04 0.59 0.54 -4.36 -0.61 -1.34 121.20 113.28 3if6 s ILE 237 Ca 0.12 -0.37 -0.19 0.00 -0.26 0.00 0.00 60.65 59.95 3if6 s ILE 237 Cb -0.01 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.15 3if6 s ILE 237 CO 0.01 -0.20 1.19 -1.81 0.24 0.00 0.00 174.94 174.37 3if6 s ASP 238 N -0.87 5.27 -0.53 4.36 1.01 -0.50 -0.49 116.67 124.92 3if6 s ASP 238 Ca -0.10 2.34 0.05 0.00 0.71 0.00 0.00 52.55 55.55 3if6 s ASP 238 Cb -0.05 -2.59 0.17 0.00 1.01 0.00 0.00 42.92 41.46 3if6 s ASP 238 CO 0.03 -1.53 0.41 0.35 0.21 0.00 0.00 175.17 174.64 3if6 n THR 239 N -1.57 -0.06 0.22 -1.27 -2.24 0.12 -4.71 114.28 104.77 3if6 n THR 239 Ca 0.13 -4.02 0.11 0.00 -2.27 0.00 0.00 64.05 58.00 3if6 n THR 239 Cb 0.50 -1.87 0.39 0.00 -2.10 0.00 0.00 70.33 67.25 3if6 n THR 239 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3if6 h PRO 240 N 5.44 0.00 -0.30 -0.78 0.13 -1.88 -2.42 132.00 132.19 3if6 h PRO 240 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3if6 h PRO 240 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3if6 h PRO 240 CO 0.51 0.18 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 3if6 n ASN 241 N -3.25 2.50 0.00 1.44 3.02 -1.26 -5.01 115.26 112.71 3if6 n ASN 241 Ca 0.01 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3if6 n ASN 241 Cb 0.47 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3if6 n ASN 241 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3if6 n ARG 242 N 0.87 0.00 0.08 3.52 1.74 -0.91 -1.83 116.66 120.13 3if6 n ARG 242 Ca 0.17 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.35 3if6 n ARG 242 Cb 0.45 0.00 0.56 0.00 -1.02 0.00 0.00 32.46 32.45 3if6 n ARG 242 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3if6 h THR 243 N 0.00 0.96 0.00 0.55 1.35 -1.94 -1.08 112.91 112.76 3if6 h THR 243 Ca 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 3if6 h THR 243 Cb 0.00 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 3if6 h THR 243 CO 0.00 0.04 -0.11 0.44 -0.25 0.00 0.00 175.52 175.65 3if6 h ASP 244 N 0.23 0.00 0.85 5.36 3.32 -1.79 -2.84 116.42 121.55 3if6 h ASP 244 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3if6 h ASP 244 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3if6 h ASP 244 CO -0.03 0.11 -0.18 0.47 -1.72 0.00 0.00 179.24 177.90 3if6 n ASP 245 N -3.47 0.20 0.12 6.45 8.00 -0.41 -4.50 116.55 122.94 3if6 n ASP 245 Ca -0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3if6 n ASP 245 Cb 0.26 -0.25 0.30 0.00 -0.02 0.00 0.00 41.12 41.41 3if6 n ASP 245 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3if6 h LEU 246 N 0.00 0.18 -2.59 0.64 4.07 -1.53 -1.15 115.31 114.93 3if6 h LEU 246 Ca 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3if6 h LEU 246 Cb 0.51 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3if6 h LEU 246 CO 0.00 0.51 0.00 2.19 -1.08 0.00 0.00 178.44 180.06 3if6 h PHE 247 N 0.16 0.00 0.00 1.13 -5.15 -1.80 -2.56 116.94 108.73 3if6 h PHE 247 Ca 0.02 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.77 3if6 h PHE 247 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.82 3if6 h PHE 247 CO 0.01 0.00 -0.09 0.87 -2.00 0.00 0.00 178.31 177.10 3if6 h LYS 248 N 0.00 0.00 0.74 6.09 1.57 -1.53 -2.37 116.57 121.07 3if6 h LYS 248 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3if6 h LYS 248 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3if6 h LYS 248 CO 0.00 0.09 -0.47 0.00 -0.57 0.00 0.00 179.45 178.50 3if6 h ARG 249 N 0.00 -1.10 0.00 3.15 3.08 -1.61 -2.01 114.38 115.90 3if6 h ARG 249 Ca -0.00 0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3if6 h ARG 249 Cb 0.92 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3if6 h ARG 249 CO 0.01 -0.73 -0.41 0.93 -1.07 0.00 0.00 179.97 178.70 3if6 h GLU 250 N -1.14 0.00 0.01 0.04 5.08 -1.76 -3.18 114.58 113.63 3if6 h GLU 250 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 3if6 h GLU 250 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.17 3if6 h GLU 250 CO 0.09 0.41 -1.00 0.00 -1.00 0.00 0.00 179.01 177.51 3if6 h ALA 251 N 1.59 0.25 0.15 3.43 0.00 -1.26 -2.03 119.26 121.39 3if6 h ALA 251 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3if6 h ALA 251 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3if6 h ALA 251 CO 0.05 0.77 -0.07 0.82 0.00 0.00 0.00 179.25 180.82 3if6 h ILE 252 N 0.29 1.00 -0.62 0.00 2.04 -1.45 -2.80 117.51 115.98 3if6 h ILE 252 Ca -0.10 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 3if6 h ILE 252 Cb 1.65 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 3if6 h ILE 252 CO 0.18 0.19 0.22 0.00 0.00 0.00 0.00 178.15 178.74 3if6 h ALA 253 N 0.15 1.23 -0.57 1.87 0.00 -1.62 -1.97 119.26 118.34 3if6 h ALA 253 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3if6 h ALA 253 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3if6 h ALA 253 CO 0.03 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.88 3if6 h ARG 254 N 0.90 0.99 -0.67 0.00 3.08 -1.45 0.25 114.38 117.46 3if6 h ARG 254 Ca 0.21 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3if6 h ARG 254 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3if6 h ARG 254 CO -0.01 0.96 0.37 0.00 -1.07 0.00 0.00 179.97 180.22 3if6 h ALA 255 N 0.98 0.86 0.40 0.04 0.00 -1.18 0.16 119.26 120.53 3if6 h ALA 255 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3if6 h ALA 255 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3if6 h ALA 255 CO 0.02 0.38 -0.19 0.82 0.00 0.00 0.00 179.25 180.28 3if6 h ILE 256 N 0.92 0.61 -0.99 0.00 2.04 -1.19 -1.42 117.51 117.49 3if6 h ILE 256 Ca 0.24 -0.16 0.19 0.00 1.00 0.00 0.00 64.86 66.12 3if6 h ILE 256 Cb 0.04 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 3if6 h ILE 256 CO -0.04 0.03 0.59 -0.07 0.00 0.00 0.00 178.15 178.66 3if6 h LEU 257 N -0.63 0.75 -0.44 1.44 3.38 -0.31 -1.52 115.31 117.99 3if6 h LEU 257 Ca -0.05 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3if6 h LEU 257 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3if6 h LEU 257 CO 0.09 0.27 -0.21 0.03 0.09 0.00 0.00 178.44 178.71 3if6 h ARG 258 N 0.75 0.93 -0.78 1.13 3.08 -0.55 0.96 114.38 119.90 3if6 h ARG 258 Ca 0.57 -0.40 0.05 0.00 0.07 0.00 0.00 59.98 60.26 3if6 h ARG 258 Cb 0.87 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.84 3if6 h ARG 258 CO -0.38 1.06 0.47 0.66 -1.07 0.00 0.00 179.97 180.71 3if6 h SER 259 N 0.76 0.74 -0.06 7.04 4.64 -0.22 0.13 113.55 126.58 3if6 h SER 259 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3if6 h SER 259 Cb 0.78 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3if6 h SER 259 CO 0.06 0.49 0.00 2.30 -0.87 0.00 0.00 176.83 178.81 3if6 n ILE 260 N -4.67 0.11 -3.57 0.95 -5.35 -0.98 -4.90 119.36 100.96 3if6 n ILE 260 Ca 0.10 -0.09 -0.22 0.00 -0.27 0.00 0.00 62.75 62.27 3if6 n ILE 260 Cb 0.15 -0.04 0.08 0.00 -1.74 0.00 0.00 39.64 38.09 3if6 n ILE 260 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3if6 n ASP 261 N -0.25 -4.86 -0.88 7.28 8.00 0.45 -4.92 116.55 121.36 3if6 n ASP 261 Ca 0.02 -0.58 0.09 0.00 0.71 0.00 0.00 54.79 55.03 3if6 n ASP 261 Cb 0.10 -4.99 0.16 0.00 -0.02 0.00 0.00 41.12 36.37 3if6 n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3if6 n ALA 262 N -4.71 2.39 -2.94 2.24 0.00 0.33 -4.96 120.51 112.85 3if6 n ALA 262 Ca -0.09 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 3if6 n ALA 262 Cb 0.60 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 3if6 n ALA 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3if6 s LEU 263 N -1.30 2.14 0.73 0.00 1.43 -1.20 -4.88 118.68 115.59 3if6 s LEU 263 Ca 0.29 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3if6 s LEU 263 Cb 0.17 0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.50 3if6 s LEU 263 CO 0.24 -0.20 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 3if6 s PRO 264 N -0.94 2.66 0.58 1.29 0.04 -1.26 -4.70 135.00 132.66 3if6 s PRO 264 Ca -0.10 0.88 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 3if6 s PRO 264 Cb -0.06 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.65 3if6 s PRO 264 CO -0.01 -1.28 0.70 -0.35 0.04 0.00 0.00 177.00 176.11 3if6 n PRO 265 N -3.24 -1.10 0.00 0.56 -0.04 -1.26 -5.02 135.00 124.90 3if6 n PRO 265 Ca 0.07 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 3if6 n PRO 265 Cb 0.54 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 3if6 n PRO 265 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73