#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu s SER 2 N 0.00 7.25 0.00 4.04 1.04 -1.26 -4.94 113.70 119.83 1ryu s SER 2 Ca 0.00 2.10 0.14 0.00 0.48 0.00 0.00 55.95 58.68 1ryu s SER 2 Cb 0.00 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.73 1ryu s SER 2 CO 0.00 -0.23 1.08 0.35 0.98 0.00 0.00 173.24 175.42 1ryu n THR 3 N 2.37 0.33 -3.13 2.02 -2.24 -1.26 -4.96 114.28 107.41 1ryu n THR 3 Ca 0.03 -0.66 -0.40 0.00 -2.27 0.00 0.00 64.05 60.75 1ryu n THR 3 Cb 0.46 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.15 5.05 0.63 4.28 -4.23 -1.26 -0.92 115.64 118.06 1ryu s THR 4 Ca 0.21 1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 61.78 1ryu s THR 4 Cb 0.13 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1ryu s THR 4 CO 0.19 0.19 1.12 0.41 -0.54 0.00 0.00 174.62 175.99 1ryu n THR 5 N 4.24 4.33 0.48 3.99 -1.04 -1.26 -4.82 114.28 120.21 1ryu n THR 5 Ca -0.02 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.53 1ryu n THR 5 Cb 0.50 -1.31 0.23 0.00 -1.82 0.00 0.00 70.33 67.94 1ryu n THR 5 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ryu n ASN 6 N -1.39 0.00 -4.48 8.00 4.13 -1.26 -4.46 115.26 115.81 1ryu n ASN 6 Ca 0.15 -0.19 -0.43 0.00 1.68 0.00 0.00 54.58 55.79 1ryu n ASN 6 Cb 0.48 -0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.60 1ryu n ASN 6 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ryu s GLU 7 N -2.08 3.14 -0.06 3.52 2.02 -1.26 -4.93 118.70 119.05 1ryu s GLU 7 Ca 0.11 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.14 1ryu s GLU 7 Cb 0.05 -4.01 -0.19 0.00 0.10 0.00 0.00 34.13 30.09 1ryu s GLU 7 CO 0.10 -1.01 0.97 -0.22 0.02 0.00 0.00 175.26 175.12 1ryu h LYS 8 N 8.84 -0.11 0.00 1.61 1.63 -1.85 -3.45 116.57 123.25 1ryu h LYS 8 Ca -0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1ryu h LYS 8 Cb 1.10 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1ryu h LYS 8 CO 0.87 0.43 0.00 0.44 -3.45 0.00 0.00 179.45 177.74 1ryu n ILE 9 N -4.85 0.00 -0.47 2.00 -0.00 -1.26 -4.73 119.36 110.05 1ryu n ILE 9 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1ryu n ILE 9 Cb 0.29 -1.99 0.00 0.00 -0.00 0.00 0.00 39.64 37.94 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 -1.38 0.00 0.28 7.28 5.66 -1.26 -4.69 114.28 120.16 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 0.06 0.92 0.00 -1.55 0.00 0.00 70.33 69.76 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 -0.33 1.09 3.11 -1.90 -0.32 116.57 118.22 1ryu h LYS 11 Ca 0.00 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 1ryu h LYS 11 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1ryu h LYS 11 CO 0.00 0.00 0.23 1.25 -2.81 0.00 0.00 179.45 178.12 1ryu h LEU 12 N 0.00 0.09 -0.73 5.20 7.12 -1.99 -2.59 115.31 122.41 1ryu h LEU 12 Ca 0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1ryu h LEU 12 Cb 0.16 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1ryu h LEU 12 CO -0.00 0.06 0.29 0.00 -0.13 0.00 0.00 178.44 178.66 1ryu n TYR 13 N -4.46 0.37 -3.72 1.25 0.18 -0.13 -4.65 117.16 106.00 1ryu n TYR 13 Ca 0.05 0.19 -0.08 0.00 1.88 0.00 0.00 57.90 59.94 1ryu n TYR 13 Cb 0.34 -0.60 0.03 0.00 -0.38 0.00 0.00 39.34 38.72 1ryu n TYR 13 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1ryu n GLU 14 N -1.94 1.04 0.00 -3.48 0.28 -0.98 -5.06 120.64 110.50 1ryu n GLU 14 Ca -0.01 -2.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.96 1ryu n GLU 14 Cb 0.31 2.54 0.00 0.00 1.43 0.00 0.00 31.44 35.72 1ryu n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1ryu n LEU 15 N 0.00 0.00 -3.75 -1.84 7.94 -1.26 -4.94 117.00 113.15 1ryu n LEU 15 Ca -0.08 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.60 1ryu n LEU 15 Cb 0.54 0.00 -0.18 0.00 0.53 0.00 0.00 43.42 44.32 1ryu n LEU 15 CO 0.25 0.09 -0.37 -0.83 -1.11 0.00 0.00 177.39 175.42 1ryu s GLY 16 N 0.00 0.40 0.00 -3.96 0.00 -1.26 -5.10 107.32 97.40 1ryu s GLY 16 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1ryu s GLY 16 CO 0.00 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1ryu n GLY 17 N 5.13 -0.14 3.70 0.20 0.00 -1.26 -4.99 105.19 107.83 1ryu n GLY 17 Ca -0.07 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.03 -4.98 0.30 1.61 4.71 -1.26 -4.84 120.64 116.14 1ryu n GLU 18 Ca 0.00 0.62 0.19 0.00 -0.01 0.00 0.00 57.16 57.96 1ryu n GLU 18 Cb 0.00 -5.21 0.88 0.00 -1.01 0.00 0.00 31.44 26.11 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1ryu h PRO 19 N -1.88 0.00 0.20 3.49 0.13 -1.96 0.12 132.00 132.10 1ryu h PRO 19 Ca -0.61 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1ryu h PRO 19 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ryu h PRO 19 CO 0.57 0.02 -0.10 0.93 -0.23 0.00 0.00 178.00 179.19 1ryu h GLU 20 N 0.00 -0.26 -0.19 0.86 5.08 -1.98 0.14 114.58 118.22 1ryu h GLU 20 Ca -0.00 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1ryu h GLU 20 Cb 0.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ryu h GLU 20 CO 0.00 0.11 -0.31 0.00 -1.00 0.00 0.00 179.01 177.81 1ryu h ARG 21 N -0.92 0.37 -0.20 2.33 -0.00 -1.91 -1.17 114.38 112.89 1ryu h ARG 21 Ca -0.03 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.98 59.15 1ryu h ARG 21 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 1ryu h ARG 21 CO 0.05 0.64 -0.51 -0.22 0.00 0.00 0.00 179.97 179.93 1ryu h LYS 22 N 0.32 0.54 -0.19 0.04 3.64 -0.83 0.79 116.57 120.88 1ryu h LYS 22 Ca 0.04 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1ryu h LYS 22 Cb 0.70 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1ryu h LYS 22 CO 0.05 0.92 -0.16 1.98 -2.27 0.00 0.00 179.45 179.97 1ryu h MET 23 N 0.42 0.45 -0.31 1.90 4.05 -0.41 -1.26 114.93 119.78 1ryu h MET 23 Ca 0.02 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.15 1ryu h MET 23 Cb 1.03 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.82 1ryu h MET 23 CO 0.09 0.79 -0.07 -1.49 0.23 0.00 0.00 176.91 176.46 1ryu h TRP 24 N 0.13 0.53 -0.10 1.39 6.55 -1.16 0.87 115.95 124.16 1ryu h TRP 24 Ca 0.03 -0.07 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 1ryu h TRP 24 Cb 0.69 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.84 1ryu h TRP 24 CO 0.08 0.57 -0.05 -0.24 -1.05 0.00 0.00 178.44 177.74 1ryu h VAL 25 N 0.47 1.32 -0.39 1.49 3.04 -0.72 0.93 116.25 122.39 1ryu h VAL 25 Ca 0.09 -1.09 -0.12 0.00 -1.01 0.00 0.00 66.70 64.58 1ryu h VAL 25 Cb 0.42 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1ryu h VAL 25 CO 0.02 0.31 -0.23 -0.78 -1.01 0.00 0.00 177.57 175.88 1ryu h ASP 26 N -0.15 0.79 0.20 3.17 3.58 -1.07 -1.59 116.42 121.35 1ryu h ASP 26 Ca 0.02 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.06 1ryu h ASP 26 Cb 0.51 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1ryu h ASP 26 CO 0.02 0.99 -0.49 0.08 -2.88 0.00 0.00 179.24 176.95 1ryu h ARG 27 N 0.67 0.34 -0.23 0.28 -0.00 -0.81 -1.37 114.38 113.27 1ryu h ARG 27 Ca 0.09 -0.19 -0.05 0.00 -0.00 0.00 0.00 59.98 59.83 1ryu h ARG 27 Cb 0.74 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.71 1ryu h ARG 27 CO 0.06 0.75 -0.06 -0.92 -0.00 0.00 0.00 179.97 179.80 1ryu h TYR 28 N 0.27 0.50 -0.21 4.08 5.03 -0.50 0.13 116.97 126.28 1ryu h TYR 28 Ca 0.01 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.20 1ryu h TYR 28 Cb 0.96 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.11 1ryu h TYR 28 CO 0.02 0.69 0.08 -0.07 -1.32 0.00 0.00 178.16 177.56 1ryu h LEU 29 N 0.17 0.29 -1.49 2.82 -0.00 -1.21 -0.63 115.31 115.27 1ryu h LEU 29 Ca 0.06 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 1ryu h LEU 29 Cb 0.53 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1ryu h LEU 29 CO 0.02 0.39 -0.19 0.00 -0.00 0.00 0.00 178.44 178.66 1ryu h ALA 30 N 0.92 1.58 -0.38 1.53 0.00 -1.23 -1.63 119.26 120.05 1ryu h ALA 30 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ryu h ALA 30 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ryu h ALA 30 CO -0.00 0.31 0.11 0.35 0.00 0.00 0.00 179.25 180.02 1ryu h PHE 31 N 0.09 0.61 -0.38 0.00 3.57 -0.05 0.26 116.94 121.05 1ryu h PHE 31 Ca 0.02 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1ryu h PHE 31 Cb 0.39 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1ryu h PHE 31 CO 0.00 0.59 0.10 1.79 -2.23 0.00 0.00 178.31 178.56 1ryu h THR 32 N 0.46 1.22 0.00 4.41 1.35 -0.53 -2.69 112.91 117.14 1ryu h THR 32 Ca 0.12 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 65.13 1ryu h THR 32 Cb 0.27 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1ryu h THR 32 CO -0.00 0.26 -0.44 1.05 -0.25 0.00 0.00 175.52 176.14 1ryu h GLU 33 N 0.46 0.00 -0.81 4.72 -0.00 -1.23 0.13 114.58 117.86 1ryu h GLU 33 Ca 0.12 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.53 1ryu h GLU 33 Cb 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.00 1ryu h GLU 33 CO 0.00 0.44 0.51 1.49 -0.00 0.00 0.00 179.01 181.45 1ryu h GLU 34 N 0.00 0.93 -0.32 1.06 4.81 -0.13 -0.32 114.58 120.61 1ryu h GLU 34 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ryu h GLU 34 Cb 0.82 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ryu h GLU 34 CO 0.06 0.61 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 1ryu n LYS 35 N -4.62 1.77 -1.22 1.92 5.02 -1.14 -4.85 118.16 115.03 1ryu n LYS 35 Ca 0.11 -1.20 -0.08 0.00 -2.02 0.00 0.00 58.31 55.12 1ryu n LYS 35 Cb 0.13 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1ryu n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ryu n ALA 36 N 0.46 -0.12 0.02 7.82 0.00 -0.13 -4.83 120.51 123.74 1ryu n ALA 36 Ca 0.12 0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.88 1ryu n ALA 36 Cb 0.29 -1.33 0.69 0.00 0.00 0.00 0.00 19.45 19.09 1ryu n ALA 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ryu h MET 37 N 0.14 0.00 0.00 0.00 -1.53 -0.93 -3.42 114.93 109.20 1ryu h MET 37 Ca -0.16 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.10 1ryu h MET 37 Cb 0.83 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.88 1ryu h MET 37 CO 0.23 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.69 1ryu n GLY 38 N -1.63 -1.44 0.34 1.39 0.00 -1.21 -4.98 105.19 97.66 1ryu n GLY 38 Ca 0.09 0.62 0.17 0.00 0.00 0.00 0.00 46.02 46.90 1ryu n GLY 38 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ryu h MET 39 N 0.00 0.00 0.00 1.61 4.05 -1.82 -3.40 114.93 115.36 1ryu h MET 39 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ryu h MET 39 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1ryu h MET 39 CO 0.00 0.00 0.00 -2.37 0.23 0.00 0.00 176.91 174.77 1ryu n THR 40 N -3.11 0.00 -3.31 -0.77 5.66 -1.26 -4.93 114.28 106.56 1ryu n THR 40 Ca -0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.61 1ryu n THR 40 Cb 0.38 -1.63 -0.06 0.00 -1.55 0.00 0.00 70.33 67.47 1ryu n THR 40 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ryu s ASN 41 N -1.00 6.64 0.13 1.09 2.20 -1.26 -4.75 114.94 117.99 1ryu s ASN 41 Ca 0.00 0.76 0.00 0.00 -0.94 0.00 0.00 52.86 52.68 1ryu s ASN 41 Cb 0.00 -2.28 0.00 0.00 -2.00 0.00 0.00 41.25 36.97 1ryu s ASN 41 CO 0.00 -0.04 0.00 -0.11 -2.94 0.00 0.00 177.10 174.01 1ryu n LEU 42 N 3.95 0.11 -1.28 3.54 0.00 -1.26 -4.84 117.00 117.23 1ryu n LEU 42 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.15 1ryu n LEU 42 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 43.42 44.04 1ryu n LEU 42 CO 0.43 -0.58 0.44 -0.81 0.00 0.00 0.00 177.39 176.87 1ryu n PRO 43 N -3.10 0.63 -4.29 1.96 -0.04 -1.26 -4.80 135.00 124.09 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 0.07 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.52 3.30 0.16 0.55 0.00 -1.26 -3.90 121.76 121.14 1ryu s ALA 44 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1ryu s ALA 44 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1ryu s ALA 44 CO 0.00 0.64 0.03 0.14 0.00 0.00 0.00 175.76 176.57 1ryu s VAL 45 N -1.04 3.95 0.11 0.00 -7.23 -0.03 -4.28 120.40 111.88 1ryu s VAL 45 Ca 0.18 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1ryu s VAL 45 Cb -0.11 -2.98 0.16 0.00 0.56 0.00 0.00 36.38 34.01 1ryu s VAL 45 CO 0.08 -0.07 0.59 0.61 -0.31 0.00 0.00 175.10 176.00 1ryu n GLY 46 N -0.05 -0.54 0.00 2.32 0.00 -0.09 -3.95 105.19 102.87 1ryu n GLY 46 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ryu n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ryu n ARG 47 N -4.42 0.00 -0.88 1.61 0.00 -1.26 -4.81 116.66 106.91 1ryu n ARG 47 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.61 1ryu n ARG 47 Cb 0.26 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.87 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 -0.16 0.00 -0.14 4.76 -1.25 -4.74 118.16 116.63 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 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 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 -3.57 0.00 -0.14 1.97 -0.02 -1.26 -3.05 135.00 128.93 1ryu n PRO 49 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 1ryu n PRO 49 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.89 1ryu n PRO 49 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ryu n LEU 50 N 0.00 2.07 -3.28 2.45 4.32 -1.25 -0.85 117.00 120.46 1ryu n LEU 50 Ca 0.00 0.29 -0.20 0.00 -0.02 0.00 0.00 56.01 56.08 1ryu n LEU 50 Cb 0.00 -0.83 0.08 0.00 -1.62 0.00 0.00 43.42 41.04 1ryu n LEU 50 CO 0.00 0.61 0.19 0.47 -1.22 0.00 0.00 177.39 177.44 1ryu n ASP 51 N -4.15 -4.73 0.19 -1.43 9.92 -1.26 -4.85 116.55 110.25 1ryu n ASP 51 Ca -0.54 -0.51 0.06 0.00 -0.53 0.00 0.00 54.79 53.27 1ryu n ASP 51 Cb 0.90 -4.65 0.55 0.00 -0.64 0.00 0.00 41.12 37.28 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 -2.23 0.11 -0.11 0.64 5.85 -1.95 0.37 115.31 118.00 1ryu h LEU 52 Ca -0.52 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 1ryu h LEU 52 Cb 1.33 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1ryu h LEU 52 CO 0.49 0.13 -0.20 0.22 -0.34 0.00 0.00 178.44 178.74 1ryu h TYR 53 N 0.13 0.41 -0.11 1.25 3.20 -1.94 0.35 116.97 120.26 1ryu h TYR 53 Ca 0.03 -0.15 -0.15 0.00 3.14 0.00 0.00 58.73 61.61 1ryu h TYR 53 Cb 0.08 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1ryu h TYR 53 CO 0.00 0.81 -0.58 0.00 -1.64 0.00 0.00 178.16 176.75 1ryu h ARG 54 N -0.11 0.34 -0.14 1.82 3.08 -1.87 -1.77 114.38 115.73 1ryu h ARG 54 Ca 0.01 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1ryu h ARG 54 Cb 0.78 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1ryu h ARG 54 CO 0.05 0.83 -0.48 1.25 -1.07 0.00 0.00 179.97 180.55 1ryu h LEU 55 N 0.26 0.38 0.04 3.04 5.85 -0.23 0.11 115.31 124.76 1ryu h LEU 55 Ca -0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ryu h LEU 55 Cb 1.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1ryu h LEU 55 CO 0.10 0.80 -0.02 0.22 -0.34 0.00 0.00 178.44 179.19 1ryu h TYR 56 N 0.28 -0.05 -0.00 1.25 5.03 0.01 0.26 116.97 123.74 1ryu h TYR 56 Ca 0.02 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 1ryu h TYR 56 Cb 0.95 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 1ryu h TYR 56 CO 0.02 0.35 -0.40 -0.39 -1.32 0.00 0.00 178.16 176.42 1ryu h VAL 57 N -0.47 1.29 -0.10 1.81 -1.51 -1.31 -1.00 116.25 114.96 1ryu h VAL 57 Ca -0.01 -1.39 -0.23 0.00 -1.23 0.00 0.00 66.70 63.84 1ryu h VAL 57 Cb 0.43 1.75 0.01 0.00 -2.13 0.00 0.00 31.29 31.35 1ryu h VAL 57 CO 0.01 0.40 -0.85 0.28 -1.23 0.00 0.00 177.57 176.17 1ryu h SER 58 N 0.01 0.92 0.03 4.19 0.02 -0.68 -1.19 113.55 116.85 1ryu h SER 58 Ca -0.00 -0.67 -0.12 0.00 -0.84 0.00 0.00 61.79 60.16 1ryu h SER 58 Cb 0.72 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ryu h SER 58 CO 0.05 1.45 -0.39 1.62 -1.14 0.00 0.00 176.83 178.42 1ryu h VAL 59 N 0.46 1.30 0.07 2.27 3.04 -0.31 0.48 116.25 123.57 1ryu h VAL 59 Ca -0.08 -1.53 -0.00 0.00 -1.01 0.00 0.00 66.70 64.07 1ryu h VAL 59 Cb 1.50 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1ryu h VAL 59 CO 0.17 0.48 -0.04 0.11 -1.01 0.00 0.00 177.57 177.28 1ryu h LYS 60 N 0.39 -0.10 -0.07 4.17 1.57 -1.15 -2.73 116.57 118.66 1ryu h LYS 60 Ca 0.04 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ryu h LYS 60 Cb 0.86 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1ryu h LYS 60 CO 0.07 0.11 -0.33 1.05 -0.57 0.00 0.00 179.45 179.78 1ryu h GLU 61 N -0.28 0.13 -0.68 3.15 4.11 -1.09 -2.68 114.58 117.23 1ryu h GLU 61 Ca -0.01 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.52 1ryu h GLU 61 Cb 0.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1ryu h GLU 61 CO 0.02 0.45 0.46 0.82 0.07 0.00 0.00 179.01 180.83 1ryu h ILE 62 N 0.11 0.79 0.00 -1.06 2.04 0.27 -3.46 117.51 116.20 1ryu h ILE 62 Ca 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ryu h ILE 62 Cb 0.64 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1ryu h ILE 62 CO 0.05 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1ryu n GLY 63 N -1.56 4.18 0.00 5.37 0.00 -1.01 -4.86 105.19 107.31 1ryu n GLY 63 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.27 0.33 -0.02 0.00 -1.18 -4.87 105.19 100.71 1ryu n GLY 64 Ca 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.75 1ryu n GLY 64 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ryu h LEU 65 N 0.00 0.41 -0.37 0.99 -0.00 -1.98 -0.92 115.31 113.45 1ryu h LEU 65 Ca 0.00 -0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 1ryu h LEU 65 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 1ryu h LEU 65 CO 0.00 0.28 -0.82 0.74 -0.00 0.00 0.00 178.44 178.64 1ryu h THR 66 N 0.48 1.50 -0.38 0.15 2.02 -1.99 -2.82 112.91 111.88 1ryu h THR 66 Ca 0.20 -2.57 -0.14 0.00 0.77 0.00 0.00 66.41 64.67 1ryu h THR 66 Cb 0.20 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1ryu h THR 66 CO -0.05 0.75 -0.31 1.56 0.37 0.00 0.00 175.52 177.83 1ryu h GLN 67 N 0.08 0.85 -0.23 6.66 1.08 -1.54 -2.52 115.11 119.49 1ryu h GLN 67 Ca -0.03 -0.40 -0.10 0.00 -1.45 0.00 0.00 58.65 56.67 1ryu h GLN 67 Cb 1.43 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1ryu h GLN 67 CO 0.12 1.04 -0.29 0.28 -0.95 0.00 0.00 178.83 179.02 1ryu h VAL 68 N 0.71 1.27 0.00 -0.54 2.07 -1.32 0.32 116.25 118.77 1ryu h VAL 68 Ca 0.08 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1ryu h VAL 68 Cb 0.87 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1ryu h VAL 68 CO 0.08 0.42 -0.35 -1.13 0.02 0.00 0.00 177.57 176.61 1ryu h ASN 69 N 0.40 0.00 0.00 0.57 -0.73 -1.26 -3.34 115.58 111.22 1ryu h ASN 69 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1ryu h ASN 69 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1ryu h ASN 69 CO 0.06 0.35 0.00 2.29 -0.37 0.00 0.00 177.43 179.76 1ryu n LYS 70 N -3.52 0.57 -0.72 6.67 2.85 -0.97 -4.79 118.16 118.24 1ryu n LYS 70 Ca -0.00 -0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.23 1ryu n LYS 70 Cb 0.49 -0.51 0.37 0.00 -0.65 0.00 0.00 35.03 34.74 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 -0.11 5.12 -2.16 -5.58 2.85 0.11 -4.91 115.26 110.58 1ryu n ASN 71 Ca 0.00 -2.67 -0.20 0.00 -0.11 0.00 0.00 54.58 51.60 1ryu n ASN 71 Cb 0.11 -0.62 -0.03 0.00 1.24 0.00 0.00 39.78 40.48 1ryu n ASN 71 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ryu n LYS 72 N 0.84 -1.66 0.11 1.20 5.02 -1.26 -4.84 118.16 117.58 1ryu n LYS 72 Ca 0.26 1.03 0.01 0.00 -2.02 0.00 0.00 58.31 57.59 1ryu n LYS 72 Cb 1.01 -5.60 0.32 0.00 -0.02 0.00 0.00 35.03 30.75 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 0.22 -0.86 1.97 1.79 -1.77 -2.91 116.57 115.02 1ryu h LYS 73 Ca -0.45 -0.07 0.22 0.00 -2.18 0.00 0.00 60.65 58.16 1ryu h LYS 73 Cb 1.33 -0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.81 1ryu h LYS 73 CO 0.57 0.47 0.07 0.11 -1.08 0.00 0.00 179.45 179.59 1ryu h TRP 74 N 0.20 0.05 -0.15 -1.35 5.08 -1.89 1.68 115.95 119.58 1ryu h TRP 74 Ca 0.03 0.06 -0.10 0.00 1.08 0.00 0.00 58.89 59.97 1ryu h TRP 74 Cb 0.56 0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 1ryu h TRP 74 CO 0.01 -0.29 -0.34 -0.09 -1.28 0.00 0.00 178.44 176.45 1ryu h ARG 75 N 0.10 0.30 -0.13 0.12 2.43 -1.78 -1.12 114.38 114.30 1ryu h ARG 75 Ca 0.51 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 1ryu h ARG 75 Cb 0.98 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1ryu h ARG 75 CO -0.74 0.60 -0.06 0.93 -1.51 0.00 0.00 179.97 179.19 1ryu h GLU 76 N 0.26 0.27 -0.27 0.20 4.39 0.22 -0.90 114.58 118.75 1ryu h GLU 76 Ca 0.03 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1ryu h GLU 76 Cb 0.73 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1ryu h GLU 76 CO 0.06 0.61 -0.17 1.37 -1.16 0.00 0.00 179.01 179.71 1ryu h LEU 77 N -0.07 0.46 -0.69 1.33 -0.00 0.14 0.39 115.31 116.88 1ryu h LEU 77 Ca 0.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1ryu h LEU 77 Cb 0.52 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1ryu h LEU 77 CO 0.02 0.65 0.41 0.00 -0.00 0.00 0.00 178.44 179.51 1ryu h ALA 78 N 1.40 0.88 -0.08 0.17 0.00 -1.08 0.58 119.26 121.13 1ryu h ALA 78 Ca 0.07 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1ryu h ALA 78 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ryu h ALA 78 CO 0.04 0.36 -0.64 1.15 0.00 0.00 0.00 179.25 180.16 1ryu h THR 79 N 0.94 1.39 0.00 0.00 2.02 -0.46 -0.91 112.91 115.88 1ryu h THR 79 Ca 0.25 -2.04 -0.05 0.00 0.77 0.00 0.00 66.41 65.34 1ryu h THR 79 Cb -0.01 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1ryu h THR 79 CO -0.04 0.61 -0.23 0.78 0.37 0.00 0.00 175.52 177.00 1ryu h ASN 80 N 0.21 0.00 -0.43 4.18 -0.26 0.40 -2.94 115.58 116.74 1ryu h ASN 80 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1ryu h ASN 80 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1ryu h ASN 80 CO 0.10 0.23 0.00 0.18 -1.06 0.00 0.00 177.43 176.88 1ryu n LEU 81 N -3.43 3.69 -3.72 1.61 4.77 0.14 -4.99 117.00 115.07 1ryu n LEU 81 Ca -0.00 -2.35 -0.24 0.00 -0.03 0.00 0.00 56.01 53.38 1ryu n LEU 81 Cb 0.42 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1ryu n LEU 81 CO 0.33 0.76 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.85 1ryu n ASN 82 N 0.51 -2.29 -0.01 -1.43 4.05 -1.04 -4.55 115.26 110.50 1ryu n ASN 82 Ca 0.18 -0.90 0.02 0.00 0.45 0.00 0.00 54.58 54.33 1ryu n ASN 82 Cb 0.67 -3.74 -0.05 0.00 1.23 0.00 0.00 39.78 37.89 1ryu n ASN 82 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1ryu n VAL 83 N -4.21 0.07 0.00 3.44 0.24 -0.38 -4.66 118.33 112.84 1ryu n VAL 83 Ca -0.24 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1ryu n VAL 83 Cb 0.66 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1ryu n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ryu n GLY 84 N 2.25 2.40 0.00 7.63 0.00 -1.21 -4.79 105.19 111.47 1ryu n GLY 84 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.57 0.13 -3.83 2.61 -2.24 -1.26 -2.57 114.28 105.56 1ryu n THR 85 Ca 0.00 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1ryu n THR 85 Cb 0.00 1.12 0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1ryu n THR 85 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ryu s SER 86 N -0.13 -0.01 1.71 3.42 0.01 -1.26 -4.92 113.70 112.52 1ryu s SER 86 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1ryu s SER 86 Cb 0.00 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1ryu s SER 86 CO 0.00 -1.51 0.00 -0.24 0.41 0.00 0.00 173.24 171.90 1ryu n SER 87 N -1.33 0.00 0.24 2.44 2.88 -1.26 -2.70 113.62 113.89 1ryu n SER 87 Ca -0.07 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.61 1ryu n SER 87 Cb 0.60 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.42 1ryu n SER 87 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ryu h SER 88 N 0.30 0.00 -0.79 -3.46 0.02 -2.00 -3.34 113.55 104.29 1ryu h SER 88 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1ryu h SER 88 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1ryu h SER 88 CO 0.00 0.00 0.49 0.00 -1.14 0.00 0.00 176.83 176.18 1ryu h ALA 89 N 2.01 1.04 -0.19 3.77 0.00 -1.86 0.41 119.26 124.44 1ryu h ALA 89 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ryu h ALA 89 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ryu h ALA 89 CO 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 1ryu h ALA 90 N 1.35 0.26 -0.57 0.00 0.00 -1.75 0.23 119.26 118.78 1ryu h ALA 90 Ca 0.32 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1ryu h ALA 90 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ryu h ALA 90 CO -0.13 -0.01 -0.03 0.77 0.00 0.00 0.00 179.25 179.84 1ryu h SER 91 N 0.09 0.99 -0.25 0.00 0.02 -1.68 0.78 113.55 113.50 1ryu h SER 91 Ca 0.05 -0.29 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 1ryu h SER 91 Cb 0.42 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ryu h SER 91 CO 0.01 1.06 -0.44 0.77 -1.14 0.00 0.00 176.83 177.10 1ryu h SER 92 N 0.91 0.87 1.13 3.07 4.64 -0.11 -1.98 113.55 122.09 1ryu h SER 92 Ca 0.16 -0.42 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1ryu h SER 92 Cb 0.58 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ryu h SER 92 CO 0.03 1.18 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.97 1ryu h LEU 93 N 0.65 0.00 0.41 5.97 -0.00 -0.34 0.17 115.31 122.18 1ryu h LEU 93 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1ryu h LEU 93 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1ryu h LEU 93 CO 0.10 0.14 -0.20 0.50 -0.00 0.00 0.00 178.44 178.98 1ryu h LYS 94 N 0.00 -0.53 -0.13 1.13 3.11 -0.37 0.32 116.57 120.09 1ryu h LYS 94 Ca -0.00 0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1ryu h LYS 94 Cb 0.74 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1ryu h LYS 94 CO 0.02 -0.22 -0.17 -0.22 -2.81 0.00 0.00 179.45 176.05 1ryu h LYS 95 N -0.98 0.21 -0.30 1.90 3.64 -1.29 -1.54 116.57 118.21 1ryu h LYS 95 Ca -0.06 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1ryu h LYS 95 Cb 0.55 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ryu h LYS 95 CO 0.09 0.38 -0.46 1.96 -2.27 0.00 0.00 179.45 179.15 1ryu h GLN 96 N 0.20 0.84 -0.22 1.90 1.08 -0.64 0.04 115.11 118.31 1ryu h GLN 96 Ca 0.04 -0.51 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1ryu h GLN 96 Cb 0.42 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1ryu h GLN 96 CO 0.03 1.14 0.12 -0.92 -0.95 0.00 0.00 178.83 178.25 1ryu h TYR 97 N 0.62 0.31 -0.14 2.96 3.20 0.19 0.73 116.97 124.84 1ryu h TYR 97 Ca 0.03 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ryu h TYR 97 Cb 1.07 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1ryu h TYR 97 CO 0.07 0.27 -0.01 -0.84 -1.64 0.00 0.00 178.16 176.01 1ryu h ILE 98 N 0.26 1.27 0.00 1.81 3.07 -1.31 -0.66 117.51 121.94 1ryu h ILE 98 Ca 0.08 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.61 1ryu h ILE 98 Cb 0.06 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 1ryu h ILE 98 CO -0.01 0.26 0.00 1.56 -1.05 0.00 0.00 178.15 178.90 1ryu h GLN 99 N -0.03 0.00 0.12 0.16 1.08 -0.81 0.25 115.11 115.88 1ryu h GLN 99 Ca 0.04 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.90 1ryu h GLN 99 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1ryu h GLN 99 CO 0.01 0.00 -1.81 0.00 -0.95 0.00 0.00 178.83 176.08 1ryu n LEU 101 N -3.43 0.42 -0.14 0.00 -0.00 -0.30 -4.89 117.00 108.66 1ryu n LEU 101 Ca -0.25 -2.68 -0.12 0.00 -0.00 0.00 0.00 56.01 52.96 1ryu n LEU 101 Cb 1.05 0.21 -0.00 0.00 -0.00 0.00 0.00 43.42 44.69 1ryu n LEU 101 CO 0.47 1.12 0.62 0.22 -0.00 0.00 0.00 177.39 179.81 1ryu h TYR 102 N 1.52 1.12 0.00 1.47 5.03 -0.66 -2.42 116.97 123.03 1ryu h TYR 102 Ca -0.29 -0.30 -0.05 0.00 2.58 0.00 0.00 58.73 60.67 1ryu h TYR 102 Cb 1.45 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 1ryu h TYR 102 CO 0.21 1.12 -0.25 0.00 -1.32 0.00 0.00 178.16 177.92 1ryu h ALA 103 N 0.85 1.38 -0.40 1.82 0.00 -1.90 -2.68 119.26 118.32 1ryu h ALA 103 Ca 0.09 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ryu h ALA 103 Cb 0.87 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ryu h ALA 103 CO 0.08 0.31 0.32 0.35 0.00 0.00 0.00 179.25 180.31 1ryu h PHE 104 N 0.00 0.00 -0.28 0.00 3.04 -1.78 -0.16 116.94 117.76 1ryu h PHE 104 Ca -0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1ryu h PHE 104 Cb 0.51 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1ryu h PHE 104 CO 0.00 0.00 0.12 0.93 -2.02 0.00 0.00 178.31 177.34 1ryu h GLU 105 N 0.00 0.42 -0.09 1.11 5.08 -1.54 0.73 114.58 120.29 1ryu h GLU 105 Ca 0.19 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 1ryu h GLU 105 Cb 0.83 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1ryu h GLU 105 CO -0.00 0.43 -0.62 0.00 -1.00 0.00 0.00 179.01 177.82 1ryu h LYS 107 N 0.25 0.51 0.04 0.00 3.64 -0.90 -3.29 116.57 116.81 1ryu h LYS 107 Ca -0.01 -0.64 -0.35 0.00 -1.27 0.00 0.00 60.65 58.39 1ryu h LYS 107 Cb 1.15 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1ryu h LYS 107 CO 0.10 1.26 -1.97 -0.89 -2.27 0.00 0.00 179.45 175.67 1ryu n ILE 108 N -3.75 1.61 -0.12 2.00 2.08 0.25 -4.79 119.36 116.64 1ryu n ILE 108 Ca -0.10 -0.40 -0.19 0.00 0.56 0.00 0.00 62.75 62.62 1ryu n ILE 108 Cb 0.92 -1.80 -0.11 0.00 -0.75 0.00 0.00 39.64 37.91 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 -3.88 0.59 0.00 0.38 0.28 -0.79 -4.46 120.64 112.76 1ryu n GLU 109 Ca -0.39 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 1ryu n GLU 109 Cb 0.90 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1ryu n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ryu n ARG 110 N -3.40 0.00 -2.92 3.44 0.00 -0.84 -3.47 116.66 109.47 1ryu n ARG 110 Ca -0.44 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.10 1ryu n ARG 110 Cb 0.93 -0.29 -0.03 0.00 0.00 0.00 0.00 32.46 33.08 1ryu n ARG 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ryu n GLY 111 N 0.00 5.65 0.00 5.14 0.00 -1.26 -4.62 105.19 110.10 1ryu n GLY 111 Ca 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.01 2.65 -1.53 1.61 -0.58 -1.23 -5.08 120.64 116.48 1ryu n GLU 112 Ca 0.35 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.72 1ryu n GLU 112 Cb 0.36 -0.84 0.07 0.00 -0.57 0.00 0.00 31.44 30.46 1ryu n GLU 112 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ryu n ASP 113 N -1.48 0.82 -4.71 1.62 9.92 -1.26 -4.92 116.55 116.53 1ryu n ASP 113 Ca 0.00 0.75 -0.42 0.00 -0.53 0.00 0.00 54.79 54.59 1ryu n ASP 113 Cb 0.32 -1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 39.35 1ryu n ASP 113 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ryu s PRO 114 N -3.10 4.36 0.48 -0.24 0.04 -1.26 -5.02 135.00 130.25 1ryu s PRO 114 Ca 0.76 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.56 1ryu s PRO 114 Cb -0.38 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 1ryu s PRO 114 CO 0.47 -0.39 0.98 -1.25 0.04 0.00 0.00 177.00 176.86 1ryu s PRO 115 N 1.23 4.00 -0.09 0.56 0.04 -1.26 -4.96 135.00 134.52 1ryu s PRO 115 Ca 0.62 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1ryu s PRO 115 Cb -0.33 -2.14 0.27 0.00 0.04 0.00 0.00 34.50 32.33 1ryu s PRO 115 CO 0.29 -0.23 0.96 -0.35 0.04 0.00 0.00 177.00 177.72 1ryu n PRO 116 N -1.10 2.21 -2.96 0.56 -0.04 -1.26 -4.89 135.00 127.52 1ryu n PRO 116 Ca 0.07 -1.05 -0.03 0.00 -0.04 0.00 0.00 63.50 62.45 1ryu n PRO 116 Cb 0.54 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1ryu n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ryu n ASP 117 N 0.18 -7.06 -4.88 3.54 2.03 -1.26 -5.01 116.55 104.08 1ryu n ASP 117 Ca 0.11 -0.20 -0.35 0.00 0.52 0.00 0.00 54.79 54.87 1ryu n ASP 117 Cb 0.61 -4.91 -0.05 0.00 -0.72 0.00 0.00 41.12 36.04 1ryu n ASP 117 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ryu s ILE 118 N -3.08 5.36 0.04 5.18 2.07 -1.26 -4.98 121.20 124.53 1ryu s ILE 118 Ca 0.10 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1ryu s ILE 118 Cb -0.01 -3.53 0.00 0.00 0.13 0.00 0.00 42.46 39.05 1ryu s ILE 118 CO 0.68 0.44 0.00 0.49 -1.91 0.00 0.00 174.94 174.64 1ryu n PHE 119 N 1.37 -2.21 -0.55 3.50 3.01 -1.26 -5.22 117.46 116.10 1ryu n PHE 119 Ca -0.14 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1ryu n PHE 119 Cb 0.53 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77