#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu n SER 2 N 0.00 0.24 -2.94 -3.46 2.88 -1.26 -4.86 113.62 104.21 1ryu n SER 2 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ryu n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ryu n SER 2 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ryu n THR 3 N -2.01 -7.01 -2.59 2.46 -2.24 -1.26 -2.87 114.28 98.75 1ryu n THR 3 Ca 0.00 1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 62.56 1ryu n THR 3 Cb 0.05 -4.91 -0.03 0.00 -2.10 0.00 0.00 70.33 63.34 1ryu n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ryu s THR 4 N -1.20 4.53 0.62 4.28 -4.23 -1.26 -2.73 115.64 115.65 1ryu s THR 4 Ca -0.02 1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 62.13 1ryu s THR 4 Cb 0.00 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1ryu s THR 4 CO 0.39 0.11 0.94 0.41 -0.54 0.00 0.00 174.62 175.93 1ryu n THR 5 N 4.05 3.68 0.29 3.99 -1.04 -1.26 -4.81 114.28 119.18 1ryu n THR 5 Ca 0.08 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.62 1ryu n THR 5 Cb 0.49 -1.11 0.15 0.00 -1.82 0.00 0.00 70.33 68.03 1ryu n THR 5 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ryu n ASN 6 N -0.81 0.00 -4.55 8.00 5.15 -1.26 -4.52 115.26 117.26 1ryu n ASN 6 Ca 0.14 0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.79 1ryu n ASN 6 Cb 0.48 -0.20 -0.06 0.00 -0.53 0.00 0.00 39.78 39.47 1ryu n ASN 6 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ryu s GLU 7 N -2.41 3.53 -0.03 1.20 8.01 -1.26 -4.89 118.70 122.84 1ryu s GLU 7 Ca 0.06 -0.01 -0.15 0.00 0.01 0.00 0.00 54.97 54.88 1ryu s GLU 7 Cb 0.04 -3.88 -0.32 0.00 -4.31 0.00 0.00 34.13 25.66 1ryu s GLU 7 CO 0.08 -0.96 0.79 -0.22 0.01 0.00 0.00 175.26 174.97 1ryu h LYS 8 N 8.73 0.41 0.00 1.61 1.63 -1.85 -3.43 116.57 123.66 1ryu h LYS 8 Ca -0.25 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 58.85 1ryu h LYS 8 Cb 1.09 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1ryu h LYS 8 CO 0.91 1.33 0.00 0.44 -3.45 0.00 0.00 179.45 178.68 1ryu n ILE 9 N -3.78 0.00 -0.86 2.00 -0.00 -1.26 -4.71 119.36 110.76 1ryu n ILE 9 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 1ryu n ILE 9 Cb 1.02 -1.93 0.00 0.00 -0.00 0.00 0.00 39.64 38.72 1ryu n ILE 9 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ryu n THR 10 N -1.61 0.00 0.29 7.28 5.66 -1.26 -4.72 114.28 119.92 1ryu n THR 10 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 1ryu n THR 10 Cb 0.00 0.00 0.91 0.00 -1.55 0.00 0.00 70.33 69.69 1ryu n THR 10 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ryu h LYS 11 N 0.00 0.00 -0.54 1.09 3.11 -1.90 -0.93 116.57 117.40 1ryu h LYS 11 Ca 0.00 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.95 1ryu h LYS 11 Cb 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 1ryu h LYS 11 CO 0.00 0.03 0.37 1.25 -2.81 0.00 0.00 179.45 178.29 1ryu h LEU 12 N 0.00 0.24 -1.95 5.20 7.12 -1.96 -1.22 115.31 122.74 1ryu h LEU 12 Ca -0.00 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.13 1ryu h LEU 12 Cb 0.11 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1ryu h LEU 12 CO 0.00 0.14 0.45 1.88 -0.13 0.00 0.00 178.44 180.79 1ryu h TYR 13 N 0.27 0.00 0.00 1.25 0.05 -1.57 -3.34 116.97 113.63 1ryu h TYR 13 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1ryu h TYR 13 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1ryu h TYR 13 CO -0.00 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.50 1ryu n GLU 14 N -3.64 0.00 0.00 4.88 -0.58 -0.52 -5.00 120.64 115.79 1ryu n GLU 14 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1ryu n GLU 14 Cb 0.62 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1ryu n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ryu n LEU 15 N -1.90 0.00 -4.07 -4.62 7.94 -0.87 -4.36 117.00 109.12 1ryu n LEU 15 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 1ryu n LEU 15 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1ryu n LEU 15 CO 0.00 0.00 -0.36 -0.83 -1.11 0.00 0.00 177.39 175.09 1ryu s GLY 16 N 0.00 1.83 0.00 -3.96 0.00 -1.26 -4.64 107.32 99.28 1ryu s GLY 16 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.56 1ryu s GLY 16 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 1ryu n GLY 17 N 4.41 2.68 2.27 0.20 0.00 -1.26 -5.02 105.19 108.48 1ryu n GLY 17 Ca -0.05 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1ryu n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryu n GLU 18 N 0.00 1.11 0.20 1.61 1.02 -1.26 -4.93 120.64 118.38 1ryu n GLU 18 Ca 0.00 -3.57 0.04 0.00 -0.02 0.00 0.00 57.16 53.61 1ryu n GLU 18 Cb 0.00 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.36 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ryu h PRO 19 N 4.17 0.03 -0.14 3.49 0.13 -1.95 0.78 132.00 138.53 1ryu h PRO 19 Ca 0.11 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1ryu h PRO 19 Cb 0.83 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ryu h PRO 19 CO 0.54 0.28 -0.20 0.93 -0.23 0.00 0.00 178.00 179.33 1ryu h GLU 20 N 0.03 0.38 -0.21 0.86 4.39 -1.98 0.10 114.58 118.15 1ryu h GLU 20 Ca 0.00 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.34 1ryu h GLU 20 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ryu h GLU 20 CO 0.03 0.80 -0.47 -0.09 -1.16 0.00 0.00 179.01 178.13 1ryu h ARG 21 N -0.02 0.55 -0.09 2.33 1.12 -1.91 -1.01 114.38 115.35 1ryu h ARG 21 Ca 0.01 -0.31 -0.14 0.00 -1.11 0.00 0.00 59.98 58.44 1ryu h ARG 21 Cb 0.76 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1ryu h ARG 21 CO 0.05 0.90 -0.55 1.57 -3.11 0.00 0.00 179.97 178.83 1ryu h LYS 22 N 0.44 0.26 -0.10 0.20 2.10 -0.84 0.03 116.57 118.64 1ryu h LYS 22 Ca 0.03 -0.16 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1ryu h LYS 22 Cb 0.99 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1ryu h LYS 22 CO 0.09 0.74 -0.03 1.98 -2.00 0.00 0.00 179.45 180.22 1ryu h MET 23 N 0.20 0.20 -0.13 0.07 4.05 -0.53 0.10 114.93 118.89 1ryu h MET 23 Ca 0.00 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1ryu h MET 23 Cb 1.02 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1ryu h MET 23 CO 0.09 0.52 0.06 -1.49 0.23 0.00 0.00 176.91 176.32 1ryu h TRP 24 N -0.13 0.19 -0.65 1.39 6.55 -1.12 0.29 115.95 122.48 1ryu h TRP 24 Ca 0.03 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.90 1ryu h TRP 24 Cb 0.45 -0.06 -0.04 0.00 -0.86 0.00 0.00 29.16 28.65 1ryu h TRP 24 CO 0.06 0.26 0.43 -0.24 -1.05 0.00 0.00 178.44 177.89 1ryu h VAL 25 N 0.07 1.06 -0.09 1.49 3.04 -0.99 0.21 116.25 121.04 1ryu h VAL 25 Ca 0.04 -0.25 -0.10 0.00 -1.01 0.00 0.00 66.70 65.39 1ryu h VAL 25 Cb 0.14 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1ryu h VAL 25 CO -0.00 0.13 -0.38 -0.78 -1.01 0.00 0.00 177.57 175.53 1ryu h ASP 26 N 0.73 0.20 -0.49 3.17 1.82 0.16 -1.69 116.42 120.31 1ryu h ASP 26 Ca 0.27 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1ryu h ASP 26 Cb 0.15 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1ryu h ASP 26 CO -0.08 0.57 0.17 0.03 -1.61 0.00 0.00 179.24 178.32 1ryu h ARG 27 N 0.17 0.75 -0.33 0.28 2.47 0.27 0.20 114.38 118.19 1ryu h ARG 27 Ca 0.02 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ryu h ARG 27 Cb 0.75 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1ryu h ARG 27 CO 0.06 0.69 0.19 -0.92 0.56 0.00 0.00 179.97 180.55 1ryu h TYR 28 N 0.66 0.44 -0.49 3.04 3.20 -0.85 0.11 116.97 123.08 1ryu h TYR 28 Ca 0.16 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ryu h TYR 28 Cb 0.24 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1ryu h TYR 28 CO 0.01 0.34 0.16 -0.07 -1.64 0.00 0.00 178.16 176.96 1ryu h LEU 29 N 0.42 0.71 -1.49 2.82 -0.00 -1.08 -1.12 115.31 115.57 1ryu h LEU 29 Ca 0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1ryu h LEU 29 Cb 0.03 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1ryu h LEU 29 CO -0.02 0.72 -0.03 0.00 -0.00 0.00 0.00 178.44 179.11 1ryu h ALA 30 N 1.02 1.59 -0.21 1.53 0.00 -0.35 -1.15 119.26 121.69 1ryu h ALA 30 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ryu h ALA 30 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ryu h ALA 30 CO -0.01 0.30 -0.08 0.35 0.00 0.00 0.00 179.25 179.82 1ryu h PHE 31 N 0.28 0.48 -0.74 0.00 3.57 -0.10 0.16 116.94 120.59 1ryu h PHE 31 Ca 0.06 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1ryu h PHE 31 Cb 0.24 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1ryu h PHE 31 CO 0.00 0.69 0.32 1.79 -2.23 0.00 0.00 178.31 178.88 1ryu h THR 32 N 0.13 1.25 -0.03 4.41 1.35 -0.78 -2.00 112.91 117.24 1ryu h THR 32 Ca 0.05 -0.75 -0.12 0.00 -0.55 0.00 0.00 66.41 65.05 1ryu h THR 32 Cb 0.55 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 1ryu h THR 32 CO 0.03 0.31 -0.52 -0.33 -0.25 0.00 0.00 175.52 174.75 1ryu h GLU 33 N 1.06 0.08 -0.66 4.72 5.08 -1.16 -1.97 114.58 121.73 1ryu h GLU 33 Ca 0.25 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1ryu h GLU 33 Cb 0.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1ryu h GLU 33 CO -0.02 0.58 0.44 1.49 -1.00 0.00 0.00 179.01 180.49 1ryu h GLU 34 N 0.06 0.71 -0.32 2.33 4.57 0.08 0.06 114.58 122.08 1ryu h GLU 34 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ryu h GLU 34 Cb 0.94 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1ryu h GLU 34 CO 0.07 0.47 0.00 1.63 -1.18 0.00 0.00 179.01 180.00 1ryu n LYS 35 N -4.47 2.06 -3.10 1.92 4.01 -1.11 -4.91 118.16 112.57 1ryu n LYS 35 Ca 0.09 -1.62 -0.22 0.00 -0.51 0.00 0.00 58.31 56.05 1ryu n LYS 35 Cb 0.18 -1.42 0.01 0.00 -0.51 0.00 0.00 35.03 33.29 1ryu n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ryu n ALA 36 N 0.82 -0.99 0.15 7.82 0.00 0.01 -4.79 120.51 123.54 1ryu n ALA 36 Ca 0.17 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1ryu n ALA 36 Cb 0.43 -3.20 0.41 0.00 0.00 0.00 0.00 19.45 17.09 1ryu n ALA 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ryu n MET 37 N -3.79 0.10 0.00 0.00 1.56 -0.75 -4.64 117.12 109.60 1ryu n MET 37 Ca -0.08 0.58 0.00 0.00 -0.27 0.00 0.00 57.70 57.93 1ryu n MET 37 Cb 0.59 -2.01 0.00 0.00 2.15 0.00 0.00 33.22 33.95 1ryu n MET 37 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ryu n GLY 38 N -1.29 0.93 3.06 -5.12 0.00 -1.26 -4.86 105.19 96.65 1ryu n GLY 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ryu n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ryu n MET 39 N 0.00 -1.16 -0.27 1.61 0.00 -1.26 -4.94 117.12 111.10 1ryu n MET 39 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1ryu n MET 39 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 33.22 28.76 1ryu n MET 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ryu n THR 40 N -2.15 0.00 -3.36 2.03 5.66 -1.26 -4.98 114.28 110.22 1ryu n THR 40 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1ryu n THR 40 Cb 0.29 -0.98 -0.06 0.00 -1.55 0.00 0.00 70.33 68.03 1ryu n THR 40 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1ryu s ASN 41 N -0.96 6.61 0.15 1.09 0.01 -1.26 -4.74 114.94 115.83 1ryu s ASN 41 Ca 0.00 0.72 0.00 0.00 -0.71 0.00 0.00 52.86 52.87 1ryu s ASN 41 Cb 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.40 1ryu s ASN 41 CO 0.00 0.01 0.00 -0.11 -1.51 0.00 0.00 177.10 175.49 1ryu n LEU 42 N 3.77 0.14 -1.20 0.60 0.00 -1.26 -4.84 117.00 114.21 1ryu n LEU 42 Ca -0.08 0.26 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1ryu n LEU 42 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 43.42 44.06 1ryu n LEU 42 CO 0.42 -0.63 0.30 -0.81 0.00 0.00 0.00 177.39 176.68 1ryu n PRO 43 N -3.20 0.48 -4.31 1.96 -0.04 -1.26 -4.79 135.00 123.84 1ryu n PRO 43 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1ryu n PRO 43 Cb 0.06 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1ryu n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ryu s ALA 44 N 0.65 3.29 0.15 0.55 0.00 -1.26 -4.11 121.76 121.02 1ryu s ALA 44 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1ryu s ALA 44 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1ryu s ALA 44 CO 0.00 0.63 -0.08 0.14 0.00 0.00 0.00 175.76 176.45 1ryu s VAL 45 N -1.04 3.34 0.01 0.00 -7.23 -0.29 -4.32 120.40 110.87 1ryu s VAL 45 Ca 0.18 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1ryu s VAL 45 Cb -0.11 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1ryu s VAL 45 CO 0.08 -0.02 0.12 0.61 -0.31 0.00 0.00 175.10 175.58 1ryu n GLY 46 N 0.27 -0.27 0.00 2.32 0.00 -1.10 -4.01 105.19 102.40 1ryu n GLY 46 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ryu n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ryu n ARG 47 N -3.06 0.00 -0.95 1.61 3.00 -1.26 -4.70 116.66 111.30 1ryu n ARG 47 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1ryu n ARG 47 Cb 0.01 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.58 1ryu n ARG 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ryu n LYS 48 N 0.00 -0.08 0.00 5.56 4.76 -1.26 -4.76 118.16 122.38 1ryu n LYS 48 Ca 0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1ryu n LYS 48 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1ryu n LYS 48 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1ryu n PRO 49 N -1.63 0.00 -3.57 1.97 -0.02 -1.26 -3.44 135.00 127.04 1ryu n PRO 49 Ca 0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 1ryu n PRO 49 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.93 1ryu n PRO 49 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ryu s LEU 50 N 0.00 5.77 0.00 2.45 1.02 -1.26 -1.13 118.68 125.53 1ryu s LEU 50 Ca 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 54.13 51.50 1ryu s LEU 50 Cb 0.00 -1.99 -0.15 0.00 0.02 0.00 0.00 46.19 44.07 1ryu s LEU 50 CO 0.00 -0.49 2.65 0.47 0.02 0.00 0.00 176.35 179.00 1ryu n ASP 51 N 3.92 4.39 -0.05 2.29 9.92 -1.26 -4.50 116.55 131.26 1ryu n ASP 51 Ca 0.06 -2.27 -0.10 0.00 -0.53 0.00 0.00 54.79 51.95 1ryu n ASP 51 Cb 0.41 -1.11 -0.03 0.00 -0.64 0.00 0.00 41.12 39.75 1ryu n ASP 51 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1ryu h LEU 52 N 4.53 0.25 -0.38 0.64 6.46 -1.92 0.31 115.31 125.21 1ryu h LEU 52 Ca 0.11 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1ryu h LEU 52 Cb 1.13 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1ryu h LEU 52 CO 0.19 0.21 0.20 0.22 -0.62 0.00 0.00 178.44 178.64 1ryu h TYR 53 N 0.27 0.53 0.00 1.25 3.20 -1.99 0.84 116.97 121.08 1ryu h TYR 53 Ca 0.08 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1ryu h TYR 53 Cb 0.00 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1ryu h TYR 53 CO -0.05 0.43 -0.33 0.00 -1.64 0.00 0.00 178.16 176.56 1ryu h ARG 54 N 0.48 0.00 -0.14 1.82 3.08 -1.90 -1.55 114.38 116.18 1ryu h ARG 54 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 1ryu h ARG 54 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ryu h ARG 54 CO -0.02 0.33 -0.50 1.25 -1.07 0.00 0.00 179.97 179.96 1ryu h LEU 55 N 0.00 0.40 -0.02 3.04 5.85 0.11 -0.28 115.31 124.41 1ryu h LEU 55 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1ryu h LEU 55 Cb 0.61 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1ryu h LEU 55 CO 0.04 0.84 -0.04 0.22 -0.34 0.00 0.00 178.44 179.16 1ryu h TYR 56 N 0.29 0.08 -0.45 1.25 5.03 0.15 0.13 116.97 123.45 1ryu h TYR 56 Ca 0.01 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 1ryu h TYR 56 Cb 0.99 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 1ryu h TYR 56 CO 0.03 0.63 0.01 -0.39 -1.32 0.00 0.00 178.16 177.12 1ryu h VAL 57 N -0.49 1.23 -0.22 1.81 -1.51 -1.32 -0.00 116.25 115.74 1ryu h VAL 57 Ca 0.00 -0.93 -0.09 0.00 -1.23 0.00 0.00 66.70 64.45 1ryu h VAL 57 Cb 0.62 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1ryu h VAL 57 CO 0.01 0.33 -0.20 0.28 -1.23 0.00 0.00 177.57 176.76 1ryu h SER 58 N 0.69 0.56 0.23 4.19 0.02 -1.03 -1.61 113.55 116.59 1ryu h SER 58 Ca 0.14 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1ryu h SER 58 Cb 0.41 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ryu h SER 58 CO 0.01 0.91 -0.31 1.62 -1.14 0.00 0.00 176.83 177.92 1ryu h VAL 59 N 0.22 1.25 0.28 2.27 3.04 -0.79 0.35 116.25 122.88 1ryu h VAL 59 Ca 0.04 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 1ryu h VAL 59 Cb 0.75 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1ryu h VAL 59 CO 0.05 0.35 -0.14 0.11 -1.01 0.00 0.00 177.57 176.94 1ryu h LYS 60 N 0.12 -0.37 -0.06 4.17 1.57 -0.83 -2.28 116.57 118.90 1ryu h LYS 60 Ca 0.02 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ryu h LYS 60 Cb 0.62 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1ryu h LYS 60 CO 0.05 -0.11 -0.35 0.93 -0.57 0.00 0.00 179.45 179.39 1ryu h GLU 61 N -0.60 0.11 -0.96 3.15 5.08 -1.14 -3.05 114.58 117.19 1ryu h GLU 61 Ca -0.04 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1ryu h GLU 61 Cb 0.43 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1ryu h GLU 61 CO 0.06 0.46 0.60 0.82 -1.00 0.00 0.00 179.01 179.95 1ryu h ILE 62 N 0.10 0.98 0.00 3.13 2.04 -0.12 -3.46 117.51 120.19 1ryu h ILE 62 Ca 0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ryu h ILE 62 Cb 0.68 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ryu h ILE 62 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.99 1ryu n GLY 63 N -1.34 0.85 0.00 5.37 0.00 -1.04 -4.96 105.19 104.06 1ryu n GLY 63 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ryu n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryu n GLY 64 N 0.00 0.96 0.10 -0.02 0.00 -0.89 -4.70 105.19 100.65 1ryu n GLY 64 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1ryu n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ryu h LEU 65 N 0.00 -0.10 -1.94 0.99 -0.00 -1.98 -2.96 115.31 109.32 1ryu h LEU 65 Ca 0.00 -0.48 -0.01 0.00 -0.00 0.00 0.00 57.88 57.38 1ryu h LEU 65 Cb 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1ryu h LEU 65 CO 0.00 0.50 -0.06 0.74 -0.00 0.00 0.00 178.44 179.62 1ryu h THR 66 N -0.78 0.96 -0.66 0.22 2.02 -1.99 -1.59 112.91 111.09 1ryu h THR 66 Ca -0.01 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1ryu h THR 66 Cb 0.58 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1ryu h THR 66 CO 0.02 0.06 0.23 -0.61 0.37 0.00 0.00 175.52 175.59 1ryu h GLN 67 N 0.00 1.00 -0.42 6.66 5.75 -1.83 -2.39 115.11 123.88 1ryu h GLN 67 Ca -0.00 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1ryu h GLN 67 Cb 0.12 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1ryu h GLN 67 CO 0.01 0.84 0.06 0.28 -2.65 0.00 0.00 178.83 177.37 1ryu h VAL 68 N 0.97 1.20 0.00 2.39 2.07 -1.12 0.42 116.25 122.18 1ryu h VAL 68 Ca 0.22 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1ryu h VAL 68 Cb 0.25 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ryu h VAL 68 CO -0.01 0.27 -0.26 -1.13 0.02 0.00 0.00 177.57 176.46 1ryu h ASN 69 N 0.62 0.00 0.00 0.57 -1.24 -1.36 -3.27 115.58 110.90 1ryu h ASN 69 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1ryu h ASN 69 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1ryu h ASN 69 CO 0.00 0.26 0.00 2.29 -1.29 0.00 0.00 177.43 178.70 1ryu n LYS 70 N -3.63 5.60 -0.38 6.67 2.85 -1.06 -4.70 118.16 123.52 1ryu n LYS 70 Ca -0.01 -0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.32 1ryu n LYS 70 Cb 0.39 -0.48 0.31 0.00 -0.65 0.00 0.00 35.03 34.60 1ryu n LYS 70 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ryu n ASN 71 N -0.81 3.95 -2.38 -5.58 4.05 0.14 -4.93 115.26 109.71 1ryu n ASN 71 Ca 0.00 -2.06 -0.15 0.00 0.45 0.00 0.00 54.58 52.82 1ryu n ASN 71 Cb 0.00 -0.47 -0.01 0.00 1.23 0.00 0.00 39.78 40.53 1ryu n ASN 71 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ryu n LYS 72 N 1.46 -2.03 0.19 1.20 5.02 -1.24 -4.81 118.16 117.95 1ryu n LYS 72 Ca 0.23 0.73 0.05 0.00 -2.02 0.00 0.00 58.31 57.30 1ryu n LYS 72 Cb 0.63 -5.33 0.34 0.00 -0.02 0.00 0.00 35.03 30.66 1ryu n LYS 72 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ryu h LYS 73 N 0.00 0.00 -0.96 1.97 1.79 -1.81 -3.06 116.57 114.50 1ryu h LYS 73 Ca -0.35 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.40 1ryu h LYS 73 Cb 1.24 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.76 1ryu h LYS 73 CO 0.42 0.38 0.48 0.11 -1.08 0.00 0.00 179.45 179.76 1ryu h TRP 74 N 0.00 0.80 -0.11 -1.35 5.08 -1.88 1.65 115.95 120.13 1ryu h TRP 74 Ca -0.00 0.04 -0.13 0.00 1.08 0.00 0.00 58.89 59.88 1ryu h TRP 74 Cb 0.86 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 1ryu h TRP 74 CO 0.00 -0.11 -0.49 -0.09 -1.28 0.00 0.00 178.44 176.47 1ryu h ARG 75 N 0.37 0.29 -0.11 0.12 2.43 -1.81 -1.31 114.38 114.36 1ryu h ARG 75 Ca 0.66 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.62 1ryu h ARG 75 Cb 1.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1ryu h ARG 75 CO -0.58 0.72 -0.11 0.93 -1.51 0.00 0.00 179.97 179.43 1ryu h GLU 76 N 0.24 0.27 -0.20 0.20 4.39 0.21 -0.76 114.58 118.92 1ryu h GLU 76 Ca 0.01 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1ryu h GLU 76 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1ryu h GLU 76 CO 0.08 0.67 -0.24 1.37 -1.16 0.00 0.00 179.01 179.73 1ryu h LEU 77 N -0.12 0.36 -0.57 1.33 -0.00 -0.16 0.56 115.31 116.70 1ryu h LEU 77 Ca 0.02 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1ryu h LEU 77 Cb 0.62 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 1ryu h LEU 77 CO 0.03 0.61 0.24 0.00 -0.00 0.00 0.00 178.44 179.32 1ryu h ALA 78 N 1.43 0.74 -0.08 0.17 0.00 -1.15 -2.10 119.26 118.27 1ryu h ALA 78 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1ryu h ALA 78 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ryu h ALA 78 CO 0.04 0.34 -0.68 1.15 0.00 0.00 0.00 179.25 180.10 1ryu h THR 79 N 0.79 1.38 0.00 0.00 2.02 -0.58 -0.64 112.91 115.88 1ryu h THR 79 Ca 0.19 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 1ryu h THR 79 Cb 0.18 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1ryu h THR 79 CO -0.02 0.63 -0.06 0.78 0.37 0.00 0.00 175.52 177.22 1ryu h ASN 80 N 0.26 0.00 -0.36 4.18 2.35 0.46 -0.13 115.58 122.34 1ryu h ASN 80 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ryu h ASN 80 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1ryu h ASN 80 CO 0.12 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 176.14 1ryu n LEU 81 N -3.80 3.98 -4.31 1.61 4.77 -0.82 -4.97 117.00 113.46 1ryu n LEU 81 Ca -0.02 -2.72 -0.31 0.00 -0.03 0.00 0.00 56.01 52.92 1ryu n LEU 81 Cb 0.16 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1ryu n LEU 81 CO 0.29 0.70 -0.47 -3.20 -1.33 0.00 0.00 177.39 173.38 1ryu n ASN 82 N 0.02 0.90 0.11 -1.43 4.05 -0.06 -4.83 115.26 114.03 1ryu n ASN 82 Ca 0.20 -1.27 0.09 0.00 0.45 0.00 0.00 54.58 54.05 1ryu n ASN 82 Cb 0.82 -1.63 0.02 0.00 1.23 0.00 0.00 39.78 40.22 1ryu n ASN 82 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1ryu h VAL 83 N -1.78 0.15 0.00 3.44 -1.51 -1.36 -3.46 116.25 111.73 1ryu h VAL 83 Ca -0.66 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 63.54 1ryu h VAL 83 Cb 1.40 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1ryu h VAL 83 CO 0.71 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.75 1ryu n GLY 84 N 1.21 2.49 5.13 5.19 0.00 -1.26 -4.82 105.19 113.13 1ryu n GLY 84 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ryu n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ryu n THR 85 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.83 114.28 108.56 1ryu n THR 85 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ryu n THR 85 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ryu n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ryu n SER 86 N 1.95 0.00 0.00 3.42 7.64 -1.26 -4.04 113.62 121.34 1ryu n SER 86 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ryu n SER 86 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ryu n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ryu n SER 87 N 0.06 0.00 0.23 6.43 7.64 -1.26 -4.91 113.62 121.81 1ryu n SER 87 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1ryu n SER 87 Cb 0.00 0.35 0.51 0.00 -1.01 0.00 0.00 64.21 64.06 1ryu n SER 87 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ryu h SER 88 N 0.00 0.00 -0.40 6.43 4.64 -1.98 -2.93 113.55 119.31 1ryu h SER 88 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ryu h SER 88 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ryu h SER 88 CO 0.00 0.20 0.16 0.00 -0.87 0.00 0.00 176.83 176.32 1ryu h ALA 89 N 1.80 1.41 -0.23 5.18 0.00 -1.90 -1.14 119.26 124.38 1ryu h ALA 89 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ryu h ALA 89 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ryu h ALA 89 CO 0.03 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1ryu h ALA 90 N 1.51 0.31 -0.45 0.00 0.00 -1.67 0.33 119.26 119.29 1ryu h ALA 90 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ryu h ALA 90 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ryu h ALA 90 CO -0.01 -0.02 0.14 0.66 0.00 0.00 0.00 179.25 180.03 1ryu h SER 91 N 0.19 0.65 -0.47 0.00 4.64 -1.59 0.32 113.55 117.29 1ryu h SER 91 Ca 0.07 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1ryu h SER 91 Cb 0.32 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1ryu h SER 91 CO 0.00 0.68 -0.14 -1.28 -0.87 0.00 0.00 176.83 175.22 1ryu h SER 92 N 0.59 0.94 1.22 4.97 0.87 -1.14 -1.58 113.55 119.42 1ryu h SER 92 Ca 0.15 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1ryu h SER 92 Cb 0.26 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ryu h SER 92 CO -0.01 1.10 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.24 1ryu h LEU 93 N 0.77 0.00 0.04 2.23 -0.00 -0.16 -0.58 115.31 117.61 1ryu h LEU 93 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1ryu h LEU 93 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1ryu h LEU 93 CO 0.05 0.08 -0.02 0.50 -0.00 0.00 0.00 178.44 179.05 1ryu h LYS 94 N 0.00 -0.05 -0.51 1.13 3.11 0.11 0.40 116.57 120.76 1ryu h LYS 94 Ca -0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1ryu h LYS 94 Cb 0.71 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 1ryu h LYS 94 CO 0.01 0.52 -0.04 -0.22 -2.81 0.00 0.00 179.45 176.91 1ryu h LYS 95 N -0.67 0.90 -0.59 1.90 3.64 -1.22 -0.61 116.57 119.93 1ryu h LYS 95 Ca -0.01 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1ryu h LYS 95 Cb 0.60 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1ryu h LYS 95 CO 0.01 0.92 -0.02 1.96 -2.27 0.00 0.00 179.45 180.05 1ryu h GLN 96 N 0.82 1.05 -0.20 1.90 1.08 -1.14 0.86 115.11 119.48 1ryu h GLN 96 Ca 0.15 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1ryu h GLN 96 Cb 0.55 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1ryu h GLN 96 CO 0.03 1.04 0.01 -0.92 -0.95 0.00 0.00 178.83 178.04 1ryu h TYR 97 N 0.94 0.37 -0.14 2.96 3.20 -0.63 0.49 116.97 124.16 1ryu h TYR 97 Ca 0.16 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1ryu h TYR 97 Cb 0.58 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1ryu h TYR 97 CO 0.04 0.53 -0.31 -0.84 -1.64 0.00 0.00 178.16 175.94 1ryu h ILE 98 N 0.11 1.27 0.00 1.81 3.07 -1.05 -1.04 117.51 121.68 1ryu h ILE 98 Ca 0.06 -1.29 -0.08 0.00 1.55 0.00 0.00 64.86 65.10 1ryu h ILE 98 Cb 0.37 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 1ryu h ILE 98 CO 0.01 0.39 -0.36 1.56 -1.05 0.00 0.00 178.15 178.70 1ryu h GLN 99 N 0.24 0.00 0.20 0.16 1.08 -0.61 -2.63 115.11 113.55 1ryu h GLN 99 Ca 0.03 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.96 1ryu h GLN 99 Cb 0.68 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.14 1ryu h GLN 99 CO 0.05 0.36 -1.22 0.00 -0.95 0.00 0.00 178.83 177.07 1ryu n LEU 101 N -3.89 -1.08 0.16 0.00 -0.00 -0.47 -4.90 117.00 106.82 1ryu n LEU 101 Ca -0.16 -2.53 -0.12 0.00 -0.00 0.00 0.00 56.01 53.19 1ryu n LEU 101 Cb 0.98 0.24 -0.07 0.00 -0.00 0.00 0.00 43.42 44.57 1ryu n LEU 101 CO 0.55 1.51 0.44 0.22 -0.00 0.00 0.00 177.39 180.11 1ryu h TYR 102 N 0.65 -0.42 -0.03 1.47 5.03 -1.56 -1.97 116.97 120.14 1ryu h TYR 102 Ca -0.37 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 60.79 1ryu h TYR 102 Cb 1.23 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.63 1ryu h TYR 102 CO -0.11 -0.08 -0.64 0.00 -1.32 0.00 0.00 178.16 176.00 1ryu h ALA 103 N -0.50 0.88 -0.12 1.82 0.00 -1.95 -2.91 119.26 116.47 1ryu h ALA 103 Ca -0.05 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1ryu h ALA 103 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ryu h ALA 103 CO 0.08 0.78 0.09 0.74 0.00 0.00 0.00 179.25 180.93 1ryu h PHE 104 N 0.08 0.00 -0.73 0.00 -1.00 -1.90 -0.52 116.94 112.87 1ryu h PHE 104 Ca -0.01 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.86 1ryu h PHE 104 Cb 1.15 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.64 1ryu h PHE 104 CO 0.01 0.00 0.39 1.49 -1.61 0.00 0.00 178.31 178.59 1ryu h GLU 105 N 0.00 0.65 -0.11 1.51 4.57 -1.14 1.00 114.58 121.06 1ryu h GLU 105 Ca 0.06 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.00 1ryu h GLU 105 Cb 0.23 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ryu h GLU 105 CO -0.00 0.43 -0.75 0.00 -1.18 0.00 0.00 179.01 177.51 1ryu h LYS 107 N 0.39 0.00 0.10 0.00 3.64 0.17 0.54 116.57 121.41 1ryu h LYS 107 Ca -0.04 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.98 1ryu h LYS 107 Cb 1.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1ryu h LYS 107 CO 0.14 0.16 -1.98 -0.89 -2.27 0.00 0.00 179.45 174.61 1ryu n ILE 108 N -3.73 1.74 -0.11 2.00 2.08 0.33 -4.65 119.36 117.02 1ryu n ILE 108 Ca -0.02 -0.68 -0.22 0.00 0.56 0.00 0.00 62.75 62.40 1ryu n ILE 108 Cb 0.27 -1.60 -0.12 0.00 -0.75 0.00 0.00 39.64 37.44 1ryu n ILE 108 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1ryu n GLU 109 N -3.40 0.65 -2.86 0.38 0.28 -0.27 -4.62 120.64 110.80 1ryu n GLU 109 Ca -0.30 0.22 -0.40 0.00 -0.16 0.00 0.00 57.16 56.51 1ryu n GLU 109 Cb 1.05 -1.56 -0.05 0.00 1.43 0.00 0.00 31.44 32.31 1ryu n GLU 109 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ryu s ARG 110 N -2.51 4.60 -1.15 3.44 3.00 0.19 -3.36 118.95 123.16 1ryu s ARG 110 Ca -0.34 1.26 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1ryu s ARG 110 Cb 0.10 -3.36 0.00 0.00 0.00 0.00 0.00 34.95 31.69 1ryu s ARG 110 CO 0.60 0.28 0.00 0.41 0.00 0.00 0.00 175.30 176.59 1ryu n GLY 111 N 2.25 1.14 0.00 8.12 0.00 -1.26 -4.52 105.19 110.91 1ryu n GLY 111 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ryu n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryu n GLU 112 N -1.82 1.94 0.06 1.61 -0.58 -1.21 -4.84 120.64 115.79 1ryu n GLU 112 Ca -0.11 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 1ryu n GLU 112 Cb 0.46 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1ryu n GLU 112 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ryu n ASP 113 N -0.36 0.11 -4.67 1.62 2.03 -1.26 -4.99 116.55 109.02 1ryu n ASP 113 Ca 0.00 0.18 -0.45 0.00 0.52 0.00 0.00 54.79 55.05 1ryu n ASP 113 Cb 0.20 0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.64 1ryu n ASP 113 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ryu n PRO 114 N -3.06 2.56 -1.66 -0.67 -0.04 -1.26 -4.90 135.00 125.97 1ryu n PRO 114 Ca 0.00 0.94 -0.46 0.00 -0.04 0.00 0.00 63.50 63.94 1ryu n PRO 114 Cb 0.08 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 30.67 1ryu n PRO 114 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ryu n PRO 115 N 6.97 1.96 -0.00 0.54 -0.02 -1.26 -4.96 135.00 138.23 1ryu n PRO 115 Ca 0.21 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.39 1ryu n PRO 115 Cb 0.35 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ryu n PRO 115 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ryu h PRO 116 N 4.77 -0.04 0.00 0.52 0.13 -1.98 -3.50 132.00 131.90 1ryu h PRO 116 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ryu h PRO 116 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ryu h PRO 116 CO 0.80 -0.03 0.00 -3.47 -0.23 0.00 0.00 178.00 175.07 1ryu n ASP 117 N -3.34 -0.57 -0.20 1.44 2.03 -1.26 -5.17 116.55 109.48 1ryu n ASP 117 Ca -0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1ryu n ASP 117 Cb 0.02 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 1ryu n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ryu n ILE 118 N -2.66 0.00 1.22 5.18 3.06 -1.26 -2.74 119.36 122.16 1ryu n ILE 118 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1ryu n ILE 118 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1ryu n ILE 118 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1ryu n PHE 119 N -0.41 0.00 -0.41 9.51 3.72 -1.26 -5.30 117.46 123.32 1ryu n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ryu n PHE 119 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71