#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu h SER 2 N 0.00 -0.09 -0.41 4.04 0.02 -1.99 -3.49 113.55 111.63 1ryu h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ryu h SER 2 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ryu h SER 2 CO 0.00 -0.02 0.00 0.35 -1.14 0.00 0.00 176.83 176.02 1ryu n THR 3 N -2.57 0.00 -2.78 -2.27 -2.24 -1.26 -4.52 114.28 98.64 1ryu n THR 3 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 1ryu n THR 3 Cb 0.04 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.00 4.28 0.38 4.28 -4.23 -1.26 -3.12 115.64 115.96 1ryu s THR 4 Ca 0.00 1.48 0.34 0.00 -1.18 0.00 0.00 61.69 62.33 1ryu s THR 4 Cb 0.00 -3.64 0.34 0.00 1.34 0.00 0.00 72.50 70.54 1ryu s THR 4 CO 0.00 -0.25 2.03 0.74 -0.54 0.00 0.00 174.62 176.61 1ryu h THR 5 N 1.96 0.00 0.00 3.99 2.02 -1.74 -3.45 112.91 115.69 1ryu h THR 5 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1ryu h THR 5 Cb 1.19 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ryu h THR 5 CO 0.61 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.09 1ryu n ASN 6 N -2.75 -0.24 -4.45 4.18 4.13 -1.26 -4.97 115.26 109.90 1ryu n ASN 6 Ca -0.02 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.80 1ryu n ASN 6 Cb 0.12 -0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.25 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 -0.55 3.10 0.17 3.52 8.01 -1.26 -4.81 118.70 126.88 1ryu s GLU 7 Ca 0.00 -0.89 -0.01 0.00 0.01 0.00 0.00 54.97 54.08 1ryu s GLU 7 Cb 0.00 -4.05 0.03 0.00 -4.31 0.00 0.00 34.13 25.80 1ryu s GLU 7 CO 0.00 -1.05 1.41 -0.22 0.01 0.00 0.00 175.26 175.40 1ryu h LYS 8 N 8.86 0.35 0.00 1.61 1.63 -1.93 -3.43 116.57 123.66 1ryu h LYS 8 Ca -0.27 -0.31 -0.11 0.00 -0.85 0.00 0.00 60.65 59.10 1ryu h LYS 8 Cb 1.10 0.07 0.02 0.00 -0.60 0.00 0.00 32.23 32.82 1ryu h LYS 8 CO 0.89 0.97 0.02 0.44 -3.45 0.00 0.00 179.45 178.32 1ryu n ILE 9 N -3.79 0.00 -0.97 2.00 -0.00 -1.26 -4.74 119.36 110.60 1ryu n ILE 9 Ca -0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 1ryu n ILE 9 Cb 0.74 -1.16 0.00 0.00 -0.00 0.00 0.00 39.64 39.23 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 0.28 7.28 5.66 -1.26 -4.73 114.28 119.90 1ryu n THR 10 Ca 0.04 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.18 1ryu n THR 10 Cb 0.14 0.00 0.83 0.00 -1.55 0.00 0.00 70.33 69.75 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 -0.40 1.09 3.11 -1.89 -1.38 116.57 117.10 1ryu h LYS 11 Ca 0.00 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 1ryu h LYS 11 Cb 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 1ryu h LYS 11 CO 0.00 0.06 0.28 1.25 -2.81 0.00 0.00 179.45 178.23 1ryu h LEU 12 N 0.00 0.10 -1.79 5.20 5.85 -1.96 -2.23 115.31 120.48 1ryu h LEU 12 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1ryu h LEU 12 Cb 0.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1ryu h LEU 12 CO 0.01 0.06 0.51 1.88 -0.34 0.00 0.00 178.44 180.56 1ryu h TYR 13 N 0.11 0.00 -1.83 1.25 -1.99 -1.66 -3.41 116.97 109.44 1ryu h TYR 13 Ca 0.18 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.93 1ryu h TYR 13 Cb 0.60 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.09 1ryu h TYR 13 CO -0.00 0.00 0.24 -1.83 -0.00 0.00 0.00 178.16 176.57 1ryu s GLU 14 N -4.40 0.68 0.03 4.88 -1.05 -0.84 -5.08 118.70 112.92 1ryu s GLU 14 Ca -0.04 0.88 -0.01 0.00 -0.15 0.00 0.00 54.97 55.65 1ryu s GLU 14 Cb 0.12 0.29 -0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1ryu s GLU 14 CO 0.42 -0.09 -0.02 1.28 0.95 0.00 0.00 175.26 177.80 1ryu n LEU 15 N 2.84 0.59 -4.67 1.83 4.77 -1.26 -4.78 117.00 116.33 1ryu n LEU 15 Ca -0.15 0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1ryu n LEU 15 Cb 0.56 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1ryu n LEU 15 CO 0.02 -0.60 -0.34 -0.83 -1.33 0.00 0.00 177.39 174.31 1ryu s GLY 16 N -3.54 1.81 0.00 -0.72 0.00 -1.26 -4.25 107.32 99.36 1ryu s GLY 16 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1ryu s GLY 16 CO 0.03 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1ryu n GLY 17 N 0.24 3.06 2.68 0.20 0.00 -1.26 -4.75 105.19 105.35 1ryu n GLY 17 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.78 1.78 0.26 1.61 1.02 -1.26 -4.87 120.64 117.40 1ryu n GLU 18 Ca 0.00 -3.54 0.17 0.00 -0.02 0.00 0.00 57.16 53.78 1ryu n GLU 18 Cb 0.00 -1.57 0.81 0.00 -0.02 0.00 0.00 31.44 30.66 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 2.72 0.00 0.28 3.49 0.13 -1.86 0.11 132.00 136.88 1ryu h PRO 19 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1ryu h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ryu h PRO 19 CO 0.40 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 178.96 1ryu h GLU 20 N 0.00 -0.37 -0.15 0.86 4.39 -1.94 0.25 114.58 117.62 1ryu h GLU 20 Ca 0.00 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1ryu h GLU 20 Cb 0.26 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1ryu h GLU 20 CO 0.00 -0.24 -0.17 0.00 -1.16 0.00 0.00 179.01 177.44 1ryu h ARG 21 N -0.56 0.25 -0.21 2.33 -0.00 -1.94 -0.35 114.38 113.91 1ryu h ARG 21 Ca -0.04 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.98 59.30 1ryu h ARG 21 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 1ryu h ARG 21 CO 0.06 0.42 -0.19 -0.22 0.00 0.00 0.00 179.97 180.04 1ryu h LYS 22 N 0.23 0.36 -0.09 0.04 3.64 -1.02 0.17 116.57 119.90 1ryu h LYS 22 Ca 0.04 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1ryu h LYS 22 Cb 0.44 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1ryu h LYS 22 CO 0.03 0.54 -0.11 1.98 -2.27 0.00 0.00 179.45 179.62 1ryu h MET 23 N 0.33 0.23 -0.45 1.90 4.05 1.00 -0.34 114.93 121.64 1ryu h MET 23 Ca 0.06 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1ryu h MET 23 Cb 0.53 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1ryu h MET 23 CO 0.04 0.68 0.14 -1.49 0.23 0.00 0.00 176.91 176.51 1ryu h TRP 24 N -0.20 0.66 -0.04 1.39 4.06 -0.86 0.63 115.95 121.60 1ryu h TRP 24 Ca 0.01 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1ryu h TRP 24 Cb 0.64 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1ryu h TRP 24 CO 0.10 0.55 -0.08 -0.24 -3.56 0.00 0.00 178.44 175.20 1ryu h VAL 25 N 0.65 1.43 -0.10 1.49 3.04 -0.64 -0.11 116.25 122.01 1ryu h VAL 25 Ca 0.15 -1.40 -0.05 0.00 -1.01 0.00 0.00 66.70 64.39 1ryu h VAL 25 Cb 0.19 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1ryu h VAL 25 CO -0.01 0.38 -0.18 -0.78 -1.01 0.00 0.00 177.57 175.97 1ryu h ASP 26 N -0.40 0.15 -0.40 3.17 1.82 -0.81 -1.38 116.42 118.58 1ryu h ASP 26 Ca 0.00 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1ryu h ASP 26 Cb 0.66 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1ryu h ASP 26 CO 0.02 0.35 -0.07 -0.09 -1.61 0.00 0.00 179.24 177.83 1ryu h ARG 27 N 0.15 0.76 -0.68 0.28 9.65 0.36 -0.20 114.38 124.70 1ryu h ARG 27 Ca 0.03 -0.28 0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1ryu h ARG 27 Cb 0.41 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 1ryu h ARG 27 CO 0.03 0.88 0.38 -0.92 2.80 0.00 0.00 179.97 183.14 1ryu h TYR 28 N 0.57 0.70 -0.69 2.20 3.20 -0.14 0.43 116.97 123.25 1ryu h TYR 28 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ryu h TYR 28 Cb 0.59 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1ryu h TYR 28 CO 0.05 0.34 0.45 -0.07 -1.64 0.00 0.00 178.16 177.29 1ryu h LEU 29 N 0.71 0.77 -1.79 2.82 -0.00 -0.87 -0.25 115.31 116.71 1ryu h LEU 29 Ca 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1ryu h LEU 29 Cb 0.17 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1ryu h LEU 29 CO -0.17 0.55 0.14 0.00 -0.00 0.00 0.00 178.44 178.96 1ryu h ALA 30 N 1.26 1.84 -0.23 1.53 0.00 0.49 -1.01 119.26 123.14 1ryu h ALA 30 Ca 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ryu h ALA 30 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ryu h ALA 30 CO -0.07 0.14 -0.09 0.35 0.00 0.00 0.00 179.25 179.58 1ryu h PHE 31 N 0.29 0.54 -0.65 0.00 3.04 0.68 0.91 116.94 121.75 1ryu h PHE 31 Ca 0.08 -0.13 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1ryu h PHE 31 Cb -0.03 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 1ryu h PHE 31 CO 0.00 0.73 0.27 1.79 -2.02 0.00 0.00 178.31 179.08 1ryu h THR 32 N 0.19 1.23 -0.12 4.41 1.35 -0.12 -2.83 112.91 117.02 1ryu h THR 32 Ca 0.05 -0.70 -0.17 0.00 -0.55 0.00 0.00 66.41 65.04 1ryu h THR 32 Cb 0.58 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1ryu h THR 32 CO 0.03 0.28 -0.64 -0.33 -0.25 0.00 0.00 175.52 174.61 1ryu h GLU 33 N 0.90 0.45 -0.94 4.72 5.08 -1.20 0.92 114.58 124.50 1ryu h GLU 33 Ca 0.22 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1ryu h GLU 33 Cb 0.18 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1ryu h GLU 33 CO -0.02 0.94 0.60 1.49 -1.00 0.00 0.00 179.01 181.02 1ryu h GLU 34 N 0.33 1.09 -0.48 2.33 4.57 -0.57 -2.09 114.58 119.75 1ryu h GLU 34 Ca -0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1ryu h GLU 34 Cb 1.19 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1ryu h GLU 34 CO 0.11 0.72 0.00 1.63 -1.18 0.00 0.00 179.01 180.29 1ryu n LYS 35 N -4.53 2.65 -2.12 1.92 4.01 -1.11 -4.92 118.16 114.05 1ryu n LYS 35 Ca 0.14 -2.26 -0.17 0.00 -0.51 0.00 0.00 58.31 55.51 1ryu n LYS 35 Cb 0.15 -1.40 -0.03 0.00 -0.51 0.00 0.00 35.03 33.24 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 1.05 -0.55 0.11 7.82 0.00 -0.45 -4.79 120.51 123.70 1ryu n ALA 36 Ca 0.17 0.18 0.20 0.00 0.00 0.00 0.00 53.44 53.99 1ryu n ALA 36 Cb 0.51 -1.85 0.76 0.00 0.00 0.00 0.00 19.45 18.87 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 0.00 0.00 0.00 0.00 -1.53 0.55 -3.39 114.93 110.56 1ryu h MET 37 Ca -0.39 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.87 1ryu h MET 37 Cb 1.25 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.30 1ryu h MET 37 CO 0.49 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.95 1ryu n GLY 38 N -1.48 -1.46 0.34 1.39 0.00 -1.21 -5.00 105.19 97.76 1ryu n GLY 38 Ca 0.06 0.89 0.20 0.00 0.00 0.00 0.00 46.02 47.17 1ryu n GLY 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ryu h MET 39 N 0.00 0.00 0.00 1.61 2.86 -1.84 -3.42 114.93 114.15 1ryu h MET 39 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ryu h MET 39 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ryu h MET 39 CO 0.00 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.60 1ryu n THR 40 N -3.13 0.00 -3.38 2.22 5.66 -1.26 -4.97 114.28 109.42 1ryu n THR 40 Ca -0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.60 1ryu n THR 40 Cb 0.20 -0.89 -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 0.54 -3.05 0.00 0.00 175.07 172.56 1ryu s ASN 41 N -1.00 6.68 0.10 1.09 2.20 -1.26 -4.67 114.94 118.07 1ryu s ASN 41 Ca 0.00 0.80 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 1ryu s ASN 41 Cb 0.00 -2.27 0.00 0.00 -2.00 0.00 0.00 41.25 36.98 1ryu s ASN 41 CO 0.00 0.08 0.00 -0.11 -2.94 0.00 0.00 177.10 174.13 1ryu n LEU 42 N 3.28 0.18 -1.38 3.54 0.00 -1.26 -4.83 117.00 116.53 1ryu n LEU 42 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1ryu n LEU 42 Cb 0.52 0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.98 1ryu n LEU 42 CO 0.42 -0.52 0.56 -0.81 0.00 0.00 0.00 177.39 177.03 1ryu n PRO 43 N -3.09 0.70 -4.35 1.96 -0.04 -1.26 -4.83 135.00 124.09 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 0.11 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.47 3.21 0.16 0.55 0.00 -1.26 -3.62 121.76 121.27 1ryu s ALA 44 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1ryu s ALA 44 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1ryu s ALA 44 CO 0.00 0.63 -0.09 0.14 0.00 0.00 0.00 175.76 176.44 1ryu s VAL 45 N -1.02 3.30 0.00 0.00 -7.23 -1.00 -4.41 120.40 110.04 1ryu s VAL 45 Ca 0.18 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1ryu s VAL 45 Cb -0.11 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1ryu s VAL 45 CO 0.08 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1ryu n GLY 46 N 0.21 0.00 0.00 2.32 0.00 -1.18 -3.81 105.19 102.73 1ryu n GLY 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.23 0.00 -1.58 1.61 1.74 -1.26 -4.26 116.66 112.67 1ryu n ARG 47 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1ryu n ARG 47 Cb 0.00 -0.16 0.05 0.00 -1.02 0.00 0.00 32.46 31.33 1ryu n ARG 47 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ryu s LYS 48 N 0.00 2.95 0.00 5.56 -0.14 -1.25 -4.76 119.74 122.10 1ryu s LYS 48 Ca 0.00 0.97 0.00 0.00 -1.36 0.00 0.00 55.97 55.58 1ryu s LYS 48 Cb 0.00 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 1ryu s LYS 48 CO 0.00 -1.09 0.00 -2.30 -0.76 0.00 0.00 175.35 171.20 1ryu n PRO 49 N -3.09 1.08 -0.05 -1.68 -0.02 -1.26 -3.27 135.00 126.70 1ryu n PRO 49 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 1ryu n PRO 49 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.95 1ryu n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ryu h LEU 50 N 0.00 0.32 -1.03 2.45 4.07 -1.85 -2.66 115.31 116.60 1ryu h LEU 50 Ca 0.00 -0.41 -0.41 0.00 0.08 0.00 0.00 57.88 57.14 1ryu h LEU 50 Cb 0.00 -0.09 0.10 0.00 1.08 0.00 0.00 40.66 41.75 1ryu h LEU 50 CO 0.00 0.66 -0.72 0.47 -1.08 0.00 0.00 178.44 177.77 1ryu n ASP 51 N -4.65 -5.18 -0.09 -0.43 9.92 -1.26 -4.83 116.55 110.03 1ryu n ASP 51 Ca -0.06 -0.62 -0.09 0.00 -0.53 0.00 0.00 54.79 53.49 1ryu n ASP 51 Cb 0.29 -4.72 -0.02 0.00 -0.64 0.00 0.00 41.12 36.04 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 -2.42 0.36 -0.43 0.64 6.46 -1.93 0.29 115.31 118.28 1ryu h LEU 52 Ca -0.58 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 1ryu h LEU 52 Cb 1.37 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 1ryu h LEU 52 CO 0.58 0.30 0.28 0.22 -0.62 0.00 0.00 178.44 179.20 1ryu h TYR 53 N 0.40 0.54 0.00 1.25 3.20 -1.94 0.89 116.97 121.30 1ryu h TYR 53 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1ryu h TYR 53 Cb -0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1ryu h TYR 53 CO -0.04 0.35 -0.33 0.00 -1.64 0.00 0.00 178.16 176.49 1ryu h ARG 54 N 0.58 0.00 -0.14 1.82 3.08 -1.91 -1.21 114.38 116.60 1ryu h ARG 54 Ca 0.16 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1ryu h ARG 54 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1ryu h ARG 54 CO -0.03 0.33 -0.46 1.25 -1.07 0.00 0.00 179.97 180.00 1ryu h LEU 55 N 0.00 0.37 0.04 3.04 5.85 0.13 0.22 115.31 124.97 1ryu h LEU 55 Ca -0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ryu h LEU 55 Cb 0.62 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ryu h LEU 55 CO 0.04 0.78 -0.02 0.22 -0.34 0.00 0.00 178.44 179.12 1ryu h TYR 56 N 0.28 -0.05 -0.09 1.25 5.03 0.18 0.22 116.97 123.80 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 0.91 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1ryu h TYR 56 CO 0.02 0.42 -0.34 -0.39 -1.32 0.00 0.00 178.16 176.56 1ryu h VAL 57 N -0.55 1.27 -0.10 1.81 -1.51 -1.28 0.13 116.25 116.02 1ryu h VAL 57 Ca -0.01 -1.30 -0.16 0.00 -1.23 0.00 0.00 66.70 64.00 1ryu h VAL 57 Cb 0.50 1.58 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1ryu h VAL 57 CO 0.01 0.39 -0.56 0.77 -1.23 0.00 0.00 177.57 176.95 1ryu h SER 58 N 0.16 0.67 0.55 4.19 4.64 -0.90 -1.24 113.55 121.61 1ryu h SER 58 Ca 0.02 -0.65 -0.11 0.00 -0.47 0.00 0.00 61.79 60.58 1ryu h SER 58 Cb 0.68 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1ryu h SER 58 CO 0.05 1.21 -0.54 1.62 -0.87 0.00 0.00 176.83 178.31 1ryu h VAL 59 N 0.18 1.37 -0.04 0.95 3.04 -0.39 0.54 116.25 121.90 1ryu h VAL 59 Ca -0.04 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.79 1ryu h VAL 59 Cb 1.20 2.00 -0.00 0.00 -2.01 0.00 0.00 31.29 32.48 1ryu h VAL 59 CO 0.12 0.53 -0.02 0.07 -1.01 0.00 0.00 177.57 177.25 1ryu h LYS 60 N 0.00 0.08 -0.07 4.17 2.10 -0.70 -2.80 116.57 119.35 1ryu h LYS 60 Ca -0.01 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 1ryu h LYS 60 Cb 0.96 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1ryu h LYS 60 CO 0.07 0.47 -0.47 0.93 -2.00 0.00 0.00 179.45 178.45 1ryu h GLU 61 N -0.32 0.17 -0.72 0.07 4.39 -1.11 -3.01 114.58 114.04 1ryu h GLU 61 Ca 0.01 -0.09 0.13 0.00 0.34 0.00 0.00 59.36 59.75 1ryu h GLU 61 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1ryu h GLU 61 CO 0.01 0.61 0.48 0.82 -1.16 0.00 0.00 179.01 179.77 1ryu h ILE 62 N 0.14 0.83 0.00 3.13 2.04 0.21 -3.46 117.51 120.40 1ryu h ILE 62 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ryu h ILE 62 Cb 0.89 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ryu h ILE 62 CO 0.07 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.91 1ryu n GLY 63 N -1.51 4.60 0.00 5.37 0.00 -1.10 -4.92 105.19 107.62 1ryu n GLY 63 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.65 0.15 -0.02 0.00 -1.07 -4.87 105.19 98.72 1ryu n GLY 64 Ca 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 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 0.52 -1.09 0.99 -0.00 -1.99 -3.12 115.31 110.63 1ryu h LEU 65 Ca 0.00 -0.67 -0.09 0.00 -0.00 0.00 0.00 57.88 57.12 1ryu h LEU 65 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1ryu h LEU 65 CO 0.00 1.11 -0.39 0.74 -0.00 0.00 0.00 178.44 179.90 1ryu h THR 66 N -0.03 1.29 -0.82 0.15 2.02 -1.99 -2.72 112.91 110.81 1ryu h THR 66 Ca -0.04 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.73 1ryu h THR 66 Cb 1.12 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 1ryu h THR 66 CO 0.09 0.41 0.52 1.56 0.37 0.00 0.00 175.52 178.48 1ryu h GLN 67 N 0.11 1.10 -0.41 6.66 1.08 -1.89 -0.70 115.11 121.06 1ryu h GLN 67 Ca 0.01 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 1ryu h GLN 67 Cb 0.74 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1ryu h GLN 67 CO 0.06 0.75 -0.07 0.28 -0.95 0.00 0.00 178.83 178.89 1ryu h VAL 68 N 1.12 1.24 0.00 -0.54 2.07 -1.42 0.42 116.25 119.15 1ryu h VAL 68 Ca 0.30 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1ryu h VAL 68 Cb -0.09 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ryu h VAL 68 CO -0.06 0.36 -0.27 -1.13 0.02 0.00 0.00 177.57 176.49 1ryu h ASN 69 N 0.64 0.00 0.00 0.57 -0.00 -1.03 -3.35 115.58 112.41 1ryu h ASN 69 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1ryu h ASN 69 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.83 1ryu h ASN 69 CO 0.03 0.27 0.00 2.29 -0.00 0.00 0.00 177.43 180.02 1ryu n LYS 70 N -3.52 1.74 -0.66 6.67 2.85 -0.69 -4.80 118.16 119.75 1ryu n LYS 70 Ca -0.00 -0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.29 1ryu n LYS 70 Cb 0.43 -0.33 0.36 0.00 -0.65 0.00 0.00 35.03 34.84 1ryu n LYS 70 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ryu n ASN 71 N -0.26 4.92 -1.57 -5.58 5.03 0.15 -4.91 115.26 113.03 1ryu n ASN 71 Ca 0.00 -2.57 -0.18 0.00 0.87 0.00 0.00 54.58 52.70 1ryu n ASN 71 Cb 0.04 -0.59 -0.07 0.00 -1.02 0.00 0.00 39.78 38.14 1ryu n ASN 71 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ryu n LYS 72 N 0.92 -1.42 0.26 3.52 5.02 -1.26 -4.80 118.16 120.41 1ryu n LYS 72 Ca 0.26 1.05 0.10 0.00 -2.02 0.00 0.00 58.31 57.70 1ryu n LYS 72 Cb 0.95 -5.40 0.71 0.00 -0.02 0.00 0.00 35.03 31.27 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 -0.84 1.97 1.79 -1.75 -2.32 116.57 115.42 1ryu h LYS 73 Ca -0.37 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.31 1ryu h LYS 73 Cb 1.18 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 1ryu h LYS 73 CO 0.53 0.06 0.25 0.11 -1.08 0.00 0.00 179.45 179.32 1ryu h TRP 74 N 0.00 0.38 -0.11 -1.35 0.09 -1.87 1.22 115.95 114.31 1ryu h TRP 74 Ca -0.00 0.05 -0.11 0.00 0.09 0.00 0.00 58.89 58.91 1ryu h TRP 74 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 29.16 29.32 1ryu h TRP 74 CO 0.00 -0.15 -0.44 -0.09 0.09 0.00 0.00 178.44 177.86 1ryu h ARG 75 N 0.26 0.25 -0.20 0.12 2.43 -1.67 -1.71 114.38 113.86 1ryu h ARG 75 Ca 0.51 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1ryu h ARG 75 Cb 0.99 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1ryu h ARG 75 CO -0.59 0.64 -0.11 1.49 -1.51 0.00 0.00 179.97 179.89 1ryu h GLU 76 N 0.21 0.43 -0.38 0.20 4.81 0.12 -0.13 114.58 119.84 1ryu h GLU 76 Ca 0.02 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 1ryu h GLU 76 Cb 0.86 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1ryu h GLU 76 CO 0.07 0.73 -0.20 1.37 -0.73 0.00 0.00 179.01 180.25 1ryu h LEU 77 N 0.12 0.73 -0.87 1.64 -0.00 -0.01 0.76 115.31 117.68 1ryu h LEU 77 Ca 0.04 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1ryu h LEU 77 Cb 0.61 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.03 1ryu h LEU 77 CO 0.03 0.92 0.55 0.00 -0.00 0.00 0.00 178.44 179.95 1ryu h ALA 78 N 1.14 1.11 -0.10 0.17 0.00 -1.23 -0.66 119.26 119.69 1ryu h ALA 78 Ca 0.10 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1ryu h ALA 78 Cb 0.68 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ryu h ALA 78 CO 0.05 0.54 -0.73 1.15 0.00 0.00 0.00 179.25 180.26 1ryu h THR 79 N 1.19 1.35 -0.50 0.00 2.02 -0.40 0.43 112.91 117.01 1ryu h THR 79 Ca 0.32 -2.09 -0.05 0.00 0.77 0.00 0.00 66.41 65.36 1ryu h THR 79 Cb -0.09 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1ryu h THR 79 CO -0.06 0.64 0.11 0.78 0.37 0.00 0.00 175.52 177.36 1ryu h ASN 80 N 0.34 0.77 -0.34 4.18 4.21 0.10 -2.39 115.58 122.45 1ryu h ASN 80 Ca -0.03 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.24 1ryu h ASN 80 Cb 1.31 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1ryu h ASN 80 CO 0.13 0.81 0.00 0.18 -1.29 0.00 0.00 177.43 177.26 1ryu n LEU 81 N -4.45 3.42 -3.44 1.61 4.77 -0.30 -4.94 117.00 113.67 1ryu n LEU 81 Ca 0.01 -1.73 -0.26 0.00 -0.03 0.00 0.00 56.01 54.00 1ryu n LEU 81 Cb 0.23 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1ryu n LEU 81 CO 0.40 0.47 -0.15 0.59 -1.33 0.00 0.00 177.39 177.37 1ryu n ASN 82 N 0.40 -5.94 -0.01 -1.43 3.02 -0.90 -4.60 115.26 105.80 1ryu n ASN 82 Ca 0.15 -0.28 0.03 0.00 -0.03 0.00 0.00 54.58 54.45 1ryu n ASN 82 Cb 0.71 -2.63 -0.07 0.00 -0.61 0.00 0.00 39.78 37.18 1ryu n ASN 82 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ryu n VAL 83 N -1.08 0.12 0.00 2.41 3.14 0.15 -4.38 118.33 118.69 1ryu n VAL 83 Ca -0.11 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1ryu n VAL 83 Cb 0.63 0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 1ryu n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ryu n GLY 84 N 2.11 2.99 2.72 7.55 0.00 -1.26 -4.74 105.19 114.56 1ryu n GLY 84 Ca -0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.21 2.61 -2.24 -1.26 -4.83 114.28 108.35 1ryu n THR 85 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1ryu n THR 85 Cb 0.00 -1.62 0.02 0.00 -2.10 0.00 0.00 70.33 66.63 1ryu n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ryu n SER 86 N -1.18 4.85 0.00 3.42 3.41 -1.26 -4.87 113.62 117.98 1ryu n SER 86 Ca -0.13 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1ryu n SER 86 Cb 0.61 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1ryu n SER 86 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ryu n SER 87 N 0.76 0.00 0.31 4.04 7.64 -1.26 -4.22 113.62 120.88 1ryu n SER 87 Ca 0.11 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.16 1ryu n SER 87 Cb 0.59 0.00 0.99 0.00 -1.01 0.00 0.00 64.21 64.78 1ryu n SER 87 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ryu h SER 88 N 0.00 0.00 -0.54 6.43 0.87 -2.00 -1.24 113.55 117.07 1ryu h SER 88 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1ryu h SER 88 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ryu h SER 88 CO 0.00 0.00 0.36 0.00 -0.53 0.00 0.00 176.83 176.66 1ryu h ALA 89 N 2.00 1.61 -0.60 6.23 0.00 -1.91 -1.48 119.26 125.10 1ryu h ALA 89 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ryu h ALA 89 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ryu h ALA 89 CO 0.00 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.71 1ryu h ALA 90 N 1.66 0.79 -0.04 0.00 0.00 -1.46 0.20 119.26 120.41 1ryu h ALA 90 Ca 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ryu h ALA 90 Cb -0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ryu h ALA 90 CO -0.04 0.54 0.01 1.03 0.00 0.00 0.00 179.25 180.79 1ryu h SER 91 N 0.89 0.06 -0.67 0.00 0.87 -1.42 0.54 113.55 113.83 1ryu h SER 91 Ca 0.18 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1ryu h SER 91 Cb 0.42 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1ryu h SER 91 CO 0.01 0.28 0.13 0.28 -0.53 0.00 0.00 176.83 177.00 1ryu h SER 92 N -0.15 1.05 1.35 6.23 0.02 -1.24 -1.56 113.55 119.26 1ryu h SER 92 Ca 0.01 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1ryu h SER 92 Cb 0.24 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1ryu h SER 92 CO 0.00 1.03 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.60 1ryu h LEU 93 N 1.03 0.00 0.21 5.07 -0.00 -0.48 -0.30 115.31 120.85 1ryu h LEU 93 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1ryu h LEU 93 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1ryu h LEU 93 CO 0.01 0.05 -0.10 0.50 -0.00 0.00 0.00 178.44 178.90 1ryu h LYS 94 N 0.00 -0.27 -0.17 1.13 3.11 0.10 0.28 116.57 120.76 1ryu h LYS 94 Ca -0.00 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 1ryu h LYS 94 Cb 0.74 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1ryu h LYS 94 CO 0.01 0.07 -0.21 -0.22 -2.81 0.00 0.00 179.45 176.29 1ryu h LYS 95 N -0.66 0.29 -0.39 1.90 3.64 -1.22 -1.53 116.57 118.60 1ryu h LYS 95 Ca -0.03 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1ryu h LYS 95 Cb 0.47 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1ryu h LYS 95 CO 0.05 0.49 -0.33 1.96 -2.27 0.00 0.00 179.45 179.35 1ryu h GLN 96 N 0.27 0.92 -0.14 1.90 7.50 -0.96 0.10 115.11 124.69 1ryu h GLN 96 Ca 0.05 -0.46 -0.01 0.00 0.50 0.00 0.00 58.65 58.72 1ryu h GLN 96 Cb 0.52 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1ryu h GLN 96 CO 0.03 1.12 0.05 -0.92 -1.50 0.00 0.00 178.83 177.61 1ryu h TYR 97 N 0.73 0.22 -0.35 2.96 3.20 -0.04 0.41 116.97 124.10 1ryu h TYR 97 Ca 0.07 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1ryu h TYR 97 Cb 0.92 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1ryu h TYR 97 CO 0.06 0.33 -0.04 -0.84 -1.64 0.00 0.00 178.16 176.03 1ryu h ILE 98 N 0.05 1.27 0.00 1.81 3.07 -1.29 -1.36 117.51 121.06 1ryu h ILE 98 Ca 0.04 -1.05 -0.01 0.00 1.55 0.00 0.00 64.86 65.39 1ryu h ILE 98 Cb 0.21 1.25 -0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1ryu h ILE 98 CO -0.00 0.35 -0.07 1.56 -1.05 0.00 0.00 178.15 178.94 1ryu h GLN 99 N 0.44 0.00 0.12 0.16 1.08 -0.67 0.57 115.11 116.82 1ryu h GLN 99 Ca 0.09 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.05 1ryu h GLN 99 Cb 0.52 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1ryu h GLN 99 CO 0.03 0.07 -1.04 0.00 -0.95 0.00 0.00 178.83 176.93 1ryu n LEU 101 N -3.96 -1.27 0.16 0.00 -0.00 -0.58 -4.90 117.00 106.46 1ryu n LEU 101 Ca -0.14 -3.49 -0.12 0.00 -0.00 0.00 0.00 56.01 52.27 1ryu n LEU 101 Cb 0.90 0.10 -0.07 0.00 -0.00 0.00 0.00 43.42 44.35 1ryu n LEU 101 CO 0.54 1.82 0.41 0.22 -0.00 0.00 0.00 177.39 180.38 1ryu h TYR 102 N 2.13 -0.42 0.01 1.47 5.03 -0.03 -0.60 116.97 124.55 1ryu h TYR 102 Ca -0.26 -0.01 -0.20 0.00 2.58 0.00 0.00 58.73 60.84 1ryu h TYR 102 Cb 1.28 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.69 1ryu h TYR 102 CO 0.19 -0.09 -0.90 0.00 -1.32 0.00 0.00 178.16 176.04 1ryu h ALA 103 N -0.57 0.50 0.00 1.82 0.00 -1.94 -3.00 119.26 116.07 1ryu h ALA 103 Ca -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1ryu h ALA 103 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ryu h ALA 103 CO 0.08 0.94 -0.01 0.74 0.00 0.00 0.00 179.25 180.99 1ryu h PHE 104 N 0.10 0.00 -0.60 0.00 -1.00 -1.91 -0.56 116.94 112.97 1ryu h PHE 104 Ca -0.04 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.82 1ryu h PHE 104 Cb 1.54 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 41.03 1ryu h PHE 104 CO 0.03 0.01 0.25 1.49 -1.61 0.00 0.00 178.31 178.48 1ryu h GLU 105 N 0.00 0.44 -0.09 1.51 4.22 -0.95 1.33 114.58 121.05 1ryu h GLU 105 Ca -0.00 -0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1ryu h GLU 105 Cb 0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ryu h GLU 105 CO 0.00 0.29 -0.76 0.00 -2.18 0.00 0.00 179.01 176.36 1ryu h LYS 107 N 0.35 0.00 0.10 0.00 3.64 0.33 0.54 116.57 121.53 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 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1ryu h LYS 107 CO 0.14 0.12 -1.99 -0.89 -2.27 0.00 0.00 179.45 174.56 1ryu n ILE 108 N -3.47 1.74 -0.12 2.00 2.08 0.44 -4.67 119.36 117.37 1ryu n ILE 108 Ca -0.01 -0.67 -0.22 0.00 0.56 0.00 0.00 62.75 62.40 1ryu n ILE 108 Cb 0.28 -1.60 -0.12 0.00 -0.75 0.00 0.00 39.64 37.45 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 0.64 -2.59 0.38 0.28 -0.55 -4.57 120.64 110.83 1ryu n GLU 109 Ca -0.31 0.21 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 1ryu n GLU 109 Cb 1.05 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 32.35 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 4.49 -0.29 3.44 6.06 0.19 -2.92 118.95 127.41 1ryu s ARG 110 Ca -0.35 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.44 1ryu s ARG 110 Cb 0.10 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.68 1ryu s ARG 110 CO 0.58 -0.17 0.00 0.41 -2.50 0.00 0.00 175.30 173.63 1ryu n GLY 111 N 3.06 0.45 3.09 8.12 0.00 -1.26 -4.59 105.19 114.05 1ryu n GLY 111 Ca 0.08 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1ryu n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ryu s GLU 112 N -1.61 2.52 -0.36 1.61 0.41 -1.15 -5.03 118.70 115.09 1ryu s GLU 112 Ca 0.00 -1.16 -0.04 0.00 -0.41 0.00 0.00 54.97 53.36 1ryu s GLU 112 Cb 0.00 -2.78 0.19 0.00 -1.78 0.00 0.00 34.13 29.77 1ryu s GLU 112 CO 0.00 -0.44 0.96 0.34 -0.49 0.00 0.00 175.26 175.63 1ryu s ASP 113 N 1.17 -0.63 0.61 -0.19 -1.08 -1.26 -4.78 116.67 110.50 1ryu s ASP 113 Ca -0.04 -0.49 -0.07 0.00 -0.52 0.00 0.00 52.55 51.44 1ryu s ASP 113 Cb -0.17 0.81 0.01 0.00 -1.46 0.00 0.00 42.92 42.11 1ryu s ASP 113 CO -0.08 -0.05 0.93 -2.16 0.52 0.00 0.00 175.17 174.33 1ryu s PRO 114 N 1.55 2.95 -0.58 4.34 0.04 -1.26 -5.04 135.00 136.99 1ryu s PRO 114 Ca 0.19 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.12 1ryu s PRO 114 Cb 0.04 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1ryu s PRO 114 CO -0.11 -0.74 0.78 -1.25 0.04 0.00 0.00 177.00 175.72 1ryu s PRO 115 N -5.05 3.12 -0.03 0.56 0.04 -1.26 -4.90 135.00 127.48 1ryu s PRO 115 Ca 0.54 -0.93 0.08 0.00 0.04 0.00 0.00 61.00 60.73 1ryu s PRO 115 Cb -0.11 -4.18 0.28 0.00 0.04 0.00 0.00 34.50 30.53 1ryu s PRO 115 CO 0.46 -1.52 1.14 -0.35 0.04 0.00 0.00 177.00 176.77 1ryu n PRO 116 N 6.80 1.97 -3.23 0.56 -0.04 -1.26 -4.91 135.00 134.89 1ryu n PRO 116 Ca -0.06 -1.11 -0.15 0.00 -0.04 0.00 0.00 63.50 62.14 1ryu n PRO 116 Cb 0.45 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.32 -4.16 -0.12 3.54 2.03 -1.26 -4.96 116.55 111.94 1ryu n ASP 117 Ca 0.10 -0.62 -0.16 0.00 0.52 0.00 0.00 54.79 54.63 1ryu n ASP 117 Cb 0.37 -4.85 -0.12 0.00 -0.72 0.00 0.00 41.12 35.80 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 -3.52 1.43 0.02 5.18 3.06 -1.26 -5.02 119.36 119.26 1ryu n ILE 118 Ca -0.17 -0.58 0.00 0.00 -2.50 0.00 0.00 62.75 59.50 1ryu n ILE 118 Cb 0.64 -1.28 0.00 0.00 0.54 0.00 0.00 39.64 39.54 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 -3.17 -2.58 -1.84 9.51 3.72 -1.26 -5.30 117.46 116.54 1ryu n PHE 119 Ca -0.43 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1ryu n PHE 119 Cb 0.99 0.83 0.00 0.00 -0.94 0.00 0.00 39.48 40.36 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71