#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oun n ASP 3 N 0.00 0.00 -4.67 1.61 9.92 -1.26 -5.07 116.55 117.08 1oun n ASP 3 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1oun n ASP 3 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1oun n ASP 3 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1oun s LYS 4 N 0.00 4.20 0.66 -1.24 1.02 -1.26 -5.05 119.74 118.07 1oun s LYS 4 Ca 0.00 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 1oun s LYS 4 Cb 0.00 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1oun s LYS 4 CO 0.00 -0.05 1.26 -2.14 -0.92 0.00 0.00 175.35 173.50 1oun s PRO 5 N 1.32 2.48 0.24 -1.68 0.02 -1.26 -4.79 135.00 131.33 1oun s PRO 5 Ca 0.21 1.96 -0.05 0.00 0.02 0.00 0.00 61.00 63.15 1oun s PRO 5 Cb -0.15 -1.85 0.38 0.00 0.02 0.00 0.00 34.50 32.90 1oun s PRO 5 CO 0.09 -1.63 1.82 0.97 -0.33 0.00 0.00 177.00 177.92 1oun h ILE 6 N 0.36 0.94 -0.21 2.83 2.10 -1.99 -1.72 117.51 119.82 1oun h ILE 6 Ca -0.50 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.14 1oun h ILE 6 Cb 1.32 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.08 1oun h ILE 6 CO 0.52 0.15 0.06 4.11 -1.08 0.00 0.00 178.15 181.92 1oun h TRP 7 N 0.83 0.28 -0.03 2.19 0.09 -1.97 0.42 115.95 117.76 1oun h TRP 7 Ca 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 58.89 59.36 1oun h TRP 7 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.16 29.47 1oun h TRP 7 CO -0.05 0.24 -0.01 0.93 0.09 0.00 0.00 178.44 179.64 1oun h GLU 8 N 0.29 0.07 0.29 0.12 4.39 -1.69 0.15 114.58 118.20 1oun h GLU 8 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1oun h GLU 8 Cb 0.10 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1oun h GLU 8 CO -0.01 0.42 -0.16 1.96 -1.16 0.00 0.00 179.01 180.06 1oun h GLN 9 N -0.29 -0.41 -0.20 2.33 4.20 -0.47 -0.57 115.11 119.70 1oun h GLN 9 Ca 0.01 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1oun h GLN 9 Cb 0.39 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1oun h GLN 9 CO 0.00 -0.27 0.05 0.82 -0.67 0.00 0.00 178.83 178.76 1oun h ILE 10 N -0.43 1.21 0.08 2.54 1.08 -0.26 -1.81 117.51 119.91 1oun h ILE 10 Ca -0.03 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1oun h ILE 10 Cb 0.34 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1oun h ILE 10 CO 0.04 0.21 -0.24 1.23 -0.69 0.00 0.00 178.15 178.70 1oun h GLY 11 N 0.14 -0.41 0.65 5.37 0.00 -0.63 -0.37 103.07 107.82 1oun h GLY 11 Ca 0.06 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.73 1oun h GLY 11 CO 0.00 -0.21 0.24 1.76 0.00 0.00 0.00 176.54 178.33 1oun h SER 12 N -0.42 0.32 0.06 0.19 0.02 -1.12 -0.37 113.55 112.23 1oun h SER 12 Ca 0.04 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1oun h SER 12 Cb 0.46 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1oun h SER 12 CO -0.16 0.22 -0.33 0.77 -1.14 0.00 0.00 176.83 176.18 1oun h SER 13 N 0.46 0.40 0.04 3.07 4.64 -0.99 -2.22 113.55 118.95 1oun h SER 13 Ca 0.23 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1oun h SER 13 Cb 0.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1oun h SER 13 CO -0.19 0.72 -0.02 0.15 -0.87 0.00 0.00 176.83 176.62 1oun h PHE 14 N 0.34 -0.05 -0.50 4.77 3.57 -0.35 -0.50 116.94 124.22 1oun h PHE 14 Ca 0.04 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1oun h PHE 14 Cb 0.75 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1oun h PHE 14 CO 0.02 0.06 0.14 0.82 -2.23 0.00 0.00 178.31 177.12 1oun h ILE 15 N -0.14 0.78 -0.51 1.41 1.08 -0.97 0.29 117.51 119.45 1oun h ILE 15 Ca -0.01 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1oun h ILE 15 Cb 0.12 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1oun h ILE 15 CO 0.01 0.06 0.16 -0.61 -0.69 0.00 0.00 178.15 177.08 1oun h GLN 16 N 0.30 0.79 -0.58 2.37 4.15 -1.20 -2.19 115.11 118.74 1oun h GLN 16 Ca 0.24 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 1oun h GLN 16 Cb 0.29 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1oun h GLN 16 CO -0.28 0.73 0.04 1.25 -1.93 0.00 0.00 178.83 178.65 1oun h HIS 17 N 0.70 1.08 -0.20 3.99 2.76 -0.11 -2.71 115.15 120.66 1oun h HIS 17 Ca 0.17 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1oun h HIS 17 Cb 0.27 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1oun h HIS 17 CO 0.01 0.96 0.13 -0.92 -1.30 0.00 0.00 177.93 176.81 1oun h TYR 18 N 0.90 0.25 -0.01 5.26 5.03 -0.19 -1.66 116.97 126.56 1oun h TYR 18 Ca 0.17 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 1oun h TYR 18 Cb 0.50 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1oun h TYR 18 CO 0.04 0.16 -0.28 1.88 -1.32 0.00 0.00 178.16 178.63 1oun h TYR 19 N 0.27 0.02 -0.27 -3.82 0.05 -1.38 0.20 116.97 112.03 1oun h TYR 19 Ca 0.07 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 1oun h TYR 19 Cb -0.03 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1oun h TYR 19 CO -0.06 0.30 -0.19 1.96 -1.05 0.00 0.00 178.16 179.12 1oun h GLN 20 N 0.01 0.60 -0.07 4.88 7.50 -1.28 0.35 115.11 127.09 1oun h GLN 20 Ca -0.00 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.86 1oun h GLN 20 Cb 0.51 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 1oun h GLN 20 CO 0.04 0.87 0.03 -0.07 -1.50 0.00 0.00 178.83 178.20 1oun h LEU 21 N 0.32 0.11 -0.46 1.46 4.07 -1.04 -1.65 115.31 118.11 1oun h LEU 21 Ca 0.05 -0.19 0.08 0.00 0.08 0.00 0.00 57.88 57.91 1oun h LEU 21 Cb 0.73 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.37 1oun h LEU 21 CO 0.05 0.26 0.05 0.15 -1.08 0.00 0.00 178.44 177.87 1oun h PHE 22 N -0.06 0.06 0.00 1.13 3.04 -0.40 0.16 116.94 120.88 1oun h PHE 22 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1oun h PHE 22 Cb 0.20 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1oun h PHE 22 CO -0.01 -0.05 0.00 -0.44 -2.02 0.00 0.00 178.31 175.79 1oun h ASP 23 N 0.17 0.00 0.00 0.41 3.32 -0.23 -3.36 116.42 116.72 1oun h ASP 23 Ca 0.23 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1oun h ASP 23 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1oun h ASP 23 CO -0.34 0.00 -1.47 0.59 -1.72 0.00 0.00 179.24 176.29 1oun n ASN 24 N -2.35 3.35 -3.06 6.45 5.03 -0.63 -4.71 115.26 119.35 1oun n ASN 24 Ca 0.04 -0.03 0.01 0.00 0.87 0.00 0.00 54.58 55.47 1oun n ASN 24 Cb 0.37 0.11 -0.00 0.00 -1.02 0.00 0.00 39.78 39.24 1oun n ASN 24 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1oun s ASP 25 N -4.51 -1.17 0.07 6.41 2.15 0.52 -5.00 116.67 115.13 1oun s ASP 25 Ca -0.09 -0.64 0.05 0.00 0.43 0.00 0.00 52.55 52.30 1oun s ASP 25 Cb 0.03 1.50 0.28 0.00 -0.30 0.00 0.00 42.92 44.43 1oun s ASP 25 CO 0.22 -0.12 1.17 -2.11 -0.17 0.00 0.00 175.17 174.15 1oun n ARG 26 N 4.12 0.03 0.23 4.34 1.85 -1.20 -0.81 116.66 125.21 1oun n ARG 26 Ca 0.10 0.51 0.15 0.00 -1.00 0.00 0.00 57.85 57.60 1oun n ARG 26 Cb 0.59 -1.59 0.48 0.00 -1.05 0.00 0.00 32.46 30.88 1oun n ARG 26 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1oun h THR 27 N 0.00 0.00 -0.00 8.89 1.35 -1.93 -2.47 112.91 118.74 1oun h THR 27 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1oun h THR 27 Cb 0.02 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1oun h THR 27 CO 0.00 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.15 1oun n GLN 28 N -2.93 0.75 0.32 4.72 6.02 0.01 -4.09 117.38 122.17 1oun n GLN 28 Ca 0.02 -0.29 0.20 0.00 -0.01 0.00 0.00 57.00 56.92 1oun n GLN 28 Cb 0.38 -1.49 1.10 0.00 1.02 0.00 0.00 30.24 31.24 1oun n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1oun h LEU 29 N 0.71 0.00 -2.46 1.08 4.07 -1.59 -2.76 115.31 114.36 1oun h LEU 29 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1oun h LEU 29 Cb 0.38 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1oun h LEU 29 CO 0.00 0.00 0.04 1.23 -1.08 0.00 0.00 178.44 178.63 1oun h GLY 30 N 0.02 0.00 2.00 0.83 0.00 -1.81 -2.03 103.07 102.08 1oun h GLY 30 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1oun h GLY 30 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 1oun h ALA 31 N 1.95 1.88 -0.01 3.60 0.00 -1.82 -2.88 119.26 121.97 1oun h ALA 31 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1oun h ALA 31 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1oun h ALA 31 CO -0.00 0.09 -0.23 0.44 0.00 0.00 0.00 179.25 179.55 1oun n ILE 32 N -4.45 0.00 -4.07 0.00 -5.35 -0.76 -4.91 119.36 99.81 1oun n ILE 32 Ca -0.03 -0.14 -0.23 0.00 -0.27 0.00 0.00 62.75 62.08 1oun n ILE 32 Cb 0.15 0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1oun n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1oun s TYR 33 N -2.46 2.69 0.46 4.28 2.02 -1.09 -1.21 117.35 122.04 1oun s TYR 33 Ca 0.26 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1oun s TYR 33 Cb 0.19 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1oun s TYR 33 CO 0.50 0.29 0.07 0.96 -1.57 0.00 0.00 175.55 175.80 1oun s ILE 34 N -2.46 0.87 0.27 2.71 -4.36 -1.26 -4.94 121.20 112.03 1oun s ILE 34 Ca 0.39 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 1oun s ILE 34 Cb -0.01 -2.27 0.08 0.00 1.25 0.00 0.00 42.46 41.51 1oun s ILE 34 CO 0.23 0.00 1.73 0.44 0.24 0.00 0.00 174.94 177.58 1oun h ASP 35 N 1.59 0.59 -0.14 4.36 3.32 -1.96 -2.50 116.42 121.68 1oun h ASP 35 Ca -0.39 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1oun h ASP 35 Cb 1.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1oun h ASP 35 CO 0.65 0.77 0.00 0.00 -1.72 0.00 0.00 179.24 178.94 1oun n ALA 36 N -2.49 2.50 -1.70 3.45 0.00 -1.26 -3.35 120.51 117.66 1oun n ALA 36 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 1oun n ALA 36 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1oun n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1oun s SER 37 N -1.12 5.77 -0.03 0.00 0.01 -0.96 -4.77 113.70 112.59 1oun s SER 37 Ca 0.15 2.00 0.06 0.00 1.31 0.00 0.00 55.95 59.46 1oun s SER 37 Cb 0.08 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1oun s SER 37 CO 0.11 -1.18 -0.20 0.00 0.41 0.00 0.00 173.24 172.38 1oun s LEU 39 N -0.28 1.61 -0.24 0.00 2.96 -0.23 -1.04 118.68 121.45 1oun s LEU 39 Ca 0.03 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1oun s LEU 39 Cb -0.10 -0.79 0.04 0.00 0.50 0.00 0.00 46.19 45.85 1oun s LEU 39 CO 0.01 0.02 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.06 1oun s THR 40 N 0.70 2.42 -0.24 3.68 2.01 0.35 -0.04 115.64 124.52 1oun s THR 40 Ca -0.14 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1oun s THR 40 Cb -0.16 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.12 1oun s THR 40 CO 0.03 0.16 -0.13 0.86 -0.69 0.00 0.00 174.62 174.85 1oun s TRP 41 N 1.22 3.14 -1.30 4.92 -0.11 0.51 -0.04 118.94 127.28 1oun s TRP 41 Ca -0.03 -2.12 -0.01 0.00 1.22 0.00 0.00 56.10 55.16 1oun s TRP 41 Cb -0.17 -1.94 -0.00 0.00 -1.50 0.00 0.00 33.47 29.86 1oun s TRP 41 CO -0.06 -0.86 0.69 0.39 -4.62 0.00 0.00 176.95 172.49 1oun n GLU 42 N 4.49 -4.59 0.00 5.86 -0.58 0.03 -1.33 120.64 124.51 1oun n GLU 42 Ca -0.16 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1oun n GLU 42 Cb 0.44 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 1oun n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oun n GLY 43 N -1.59 2.98 3.73 0.62 0.00 -1.26 -4.99 105.19 104.67 1oun n GLY 43 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1oun n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oun s GLN 44 N -0.01 4.13 -0.08 1.61 0.74 -0.45 -5.07 119.66 120.54 1oun s GLN 44 Ca 0.00 -0.22 -0.12 0.00 0.05 0.00 0.00 55.36 55.07 1oun s GLN 44 Cb 0.00 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1oun s GLN 44 CO 0.00 0.33 0.28 -1.14 -0.55 0.00 0.00 175.29 174.21 1oun s GLN 45 N 0.27 3.83 -0.10 1.67 0.74 -1.26 -0.36 119.66 124.45 1oun s GLN 45 Ca 0.08 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1oun s GLN 45 Cb -0.11 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.76 1oun s GLN 45 CO -0.02 0.62 -0.13 -0.06 -0.55 0.00 0.00 175.29 175.15 1oun s PHE 46 N -0.69 1.77 -0.16 1.67 0.40 0.94 -5.00 117.98 116.91 1oun s PHE 46 Ca 0.19 -0.82 -0.05 0.00 -0.60 0.00 0.00 56.93 55.65 1oun s PHE 46 Cb -0.14 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1oun s PHE 46 CO 0.08 -0.45 0.01 -0.65 0.70 0.00 0.00 175.22 174.91 1oun s GLN 47 N 1.06 3.75 0.00 0.44 -0.21 -1.26 -1.07 119.66 122.38 1oun s GLN 47 Ca -0.06 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1oun s GLN 47 Cb -0.15 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.83 1oun s GLN 47 CO -0.02 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1oun n GLY 48 N 3.42 -0.37 0.34 3.09 0.00 0.78 -4.44 105.19 108.01 1oun n GLY 48 Ca -0.17 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.73 1oun n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1oun n LYS 49 N 0.99 -0.07 0.31 1.61 4.81 -1.08 -1.53 118.16 123.20 1oun n LYS 49 Ca 0.00 1.45 -0.17 0.00 -0.87 0.00 0.00 58.31 58.73 1oun n LYS 49 Cb 0.00 -2.37 -0.09 0.00 0.02 0.00 0.00 35.03 32.60 1oun n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1oun h ALA 50 N 1.97 -0.76 -0.48 3.14 0.00 -1.88 -1.75 119.26 119.50 1oun h ALA 50 Ca 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1oun h ALA 50 Cb 1.44 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1oun h ALA 50 CO -0.89 -0.90 0.14 0.00 0.00 0.00 0.00 179.25 177.60 1oun h ALA 51 N -0.40 1.35 -0.28 0.00 0.00 -1.59 -2.22 119.26 116.11 1oun h ALA 51 Ca -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1oun h ALA 51 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1oun h ALA 51 CO 0.13 0.47 0.07 0.82 0.00 0.00 0.00 179.25 180.74 1oun h ILE 52 N 0.70 1.21 -0.26 0.00 2.04 -1.16 -2.38 117.51 117.66 1oun h ILE 52 Ca 0.16 -0.68 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 1oun h ILE 52 Cb 0.22 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1oun h ILE 52 CO -0.01 0.22 -0.34 0.58 0.00 0.00 0.00 178.15 178.61 1oun h VAL 53 N 0.28 1.29 -0.50 1.67 2.07 -1.19 -1.93 116.25 117.93 1oun h VAL 53 Ca 0.09 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 1oun h VAL 53 Cb 0.27 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1oun h VAL 53 CO -0.00 0.46 0.15 -0.08 0.02 0.00 0.00 177.57 178.12 1oun h GLU 54 N 0.48 0.79 -0.05 1.57 4.81 -1.34 0.93 114.58 121.77 1oun h GLU 54 Ca 0.05 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1oun h GLU 54 Cb 0.81 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1oun h GLU 54 CO 0.07 0.74 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.84 1oun h LYS 55 N 0.69 -0.02 0.00 1.92 1.63 -1.25 -0.26 116.57 119.27 1oun h LYS 55 Ca 0.16 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1oun h LYS 55 Cb 0.29 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1oun h LYS 55 CO -0.00 -0.01 -0.38 -0.07 -3.45 0.00 0.00 179.45 175.53 1oun h LEU 56 N -0.02 0.00 -0.52 5.20 3.38 -1.24 -2.51 115.31 119.59 1oun h LEU 56 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1oun h LEU 56 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1oun h LEU 56 CO -0.07 0.38 -0.53 0.28 0.09 0.00 0.00 178.44 178.59 1oun h SER 57 N 0.00 0.00 0.50 -0.43 0.02 -0.24 -3.22 113.55 110.18 1oun h SER 57 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1oun h SER 57 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1oun h SER 57 CO 0.05 0.53 0.00 -1.54 -1.14 0.00 0.00 176.83 174.73 1oun n SER 58 N -3.46 0.00 -4.76 3.07 3.41 -0.16 -4.93 113.62 106.80 1oun n SER 58 Ca 0.00 -0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 1oun n SER 58 Cb 0.65 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1oun n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1oun n LEU 59 N -1.25 4.92 -0.40 1.04 4.77 -1.17 -4.86 117.00 120.05 1oun n LEU 59 Ca 0.15 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1oun n LEU 59 Cb 0.22 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1oun n LEU 59 CO 0.22 -0.16 0.28 -0.81 -1.33 0.00 0.00 177.39 175.59 1oun n PRO 60 N -0.04 0.93 -3.37 3.23 -0.04 -1.26 -4.85 135.00 129.60 1oun n PRO 60 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1oun n PRO 60 Cb 0.41 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1oun n PRO 60 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1oun s PHE 61 N -1.20 3.45 -0.20 0.54 0.08 -1.26 -4.99 117.98 114.41 1oun s PHE 61 Ca 0.00 0.76 0.01 0.00 0.12 0.00 0.00 56.93 57.82 1oun s PHE 61 Cb 0.00 -2.19 -0.13 0.00 -0.57 0.00 0.00 43.02 40.14 1oun s PHE 61 CO 0.00 0.22 -0.18 1.04 -0.10 0.00 0.00 175.22 176.20 1oun n GLN 62 N -0.54 0.49 -4.18 0.44 6.02 -1.26 -4.95 117.38 113.40 1oun n GLN 62 Ca -0.01 0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 1oun n GLN 62 Cb 0.53 -1.39 -0.17 0.00 1.02 0.00 0.00 30.24 30.24 1oun n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1oun s LYS 63 N -2.39 1.39 -0.02 -1.09 1.02 -1.26 -5.03 119.74 112.36 1oun s LYS 63 Ca -0.27 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.50 1oun s LYS 63 Cb 0.07 -1.34 -0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1oun s LYS 63 CO 0.45 -0.13 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.15 1oun s ILE 64 N 1.22 0.78 -0.03 2.17 1.10 -1.26 -0.26 121.20 124.92 1oun s ILE 64 Ca -0.05 -0.39 -0.00 0.00 -0.51 0.00 0.00 60.65 59.70 1oun s ILE 64 Cb -0.14 -0.67 0.03 0.00 0.15 0.00 0.00 42.46 41.83 1oun s ILE 64 CO -0.02 0.23 0.04 -1.58 -2.11 0.00 0.00 174.94 171.50 1oun s GLN 65 N 0.00 -0.04 0.15 3.50 0.74 0.11 -4.65 119.66 119.47 1oun s GLN 65 Ca 0.00 0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.68 1oun s GLN 65 Cb -0.06 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 1oun s GLN 65 CO 0.00 -0.20 0.15 -1.01 -0.55 0.00 0.00 175.29 173.69 1oun s HIS 66 N 1.26 3.22 -0.03 1.67 3.76 -1.26 -1.23 115.29 122.68 1oun s HIS 66 Ca -0.07 0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1oun s HIS 66 Cb -0.13 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.03 1oun s HIS 66 CO -0.03 0.52 0.03 -1.54 -0.85 0.00 0.00 174.74 172.87 1oun s SER 67 N -3.01 0.31 -0.20 1.40 1.04 -0.48 -5.01 113.70 107.74 1oun s SER 67 Ca 0.31 0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 1oun s SER 67 Cb -0.11 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1oun s SER 67 CO 0.24 -0.14 0.33 -0.63 0.98 0.00 0.00 173.24 174.02 1oun s ILE 68 N 1.24 5.25 -0.16 -1.02 -1.09 -1.26 -0.05 121.20 124.11 1oun s ILE 68 Ca -0.07 0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 58.80 1oun s ILE 68 Cb -0.13 -3.66 -0.23 0.00 -1.58 0.00 0.00 42.46 36.86 1oun s ILE 68 CO -0.03 0.29 0.28 0.41 -1.23 0.00 0.00 174.94 174.66 1oun n THR 69 N 4.20 1.69 -3.62 2.92 -1.04 -0.11 -4.96 114.28 113.36 1oun n THR 69 Ca -0.10 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.05 61.31 1oun n THR 69 Cb 0.51 -1.83 -0.07 0.00 -1.82 0.00 0.00 70.33 67.12 1oun n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oun s ALA 70 N -2.49 -1.36 -0.03 2.41 0.00 -0.68 -5.01 121.76 114.60 1oun s ALA 70 Ca -0.25 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1oun s ALA 70 Cb 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1oun s ALA 70 CO 0.70 -0.32 0.06 1.14 0.00 0.00 0.00 175.76 177.33 1oun s GLN 71 N -1.19 0.02 -0.02 0.00 -2.07 -1.26 -0.96 119.66 114.17 1oun s GLN 71 Ca -0.12 0.16 0.04 0.00 -1.82 0.00 0.00 55.36 53.63 1oun s GLN 71 Cb -0.02 -0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.78 1oun s GLN 71 CO 0.07 -0.10 -0.14 -0.51 -1.32 0.00 0.00 175.29 173.30 1oun s ASP 72 N 0.62 1.70 0.04 12.60 1.01 -0.17 -4.98 116.67 127.49 1oun s ASP 72 Ca -0.05 -0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.00 1oun s ASP 72 Cb -0.07 -0.32 -0.02 0.00 1.01 0.00 0.00 42.92 43.52 1oun s ASP 72 CO -0.02 0.15 -0.15 -1.00 0.21 0.00 0.00 175.17 174.35 1oun s HIS 73 N -0.13 1.34 0.02 4.23 3.76 -1.26 -0.31 115.29 122.94 1oun s HIS 73 Ca 0.01 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1oun s HIS 73 Cb -0.08 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.82 1oun s HIS 73 CO 0.00 0.04 0.18 -0.65 -0.85 0.00 0.00 174.74 173.47 1oun s GLN 74 N -1.10 0.59 0.34 1.40 -0.21 0.06 -4.90 119.66 115.84 1oun s GLN 74 Ca 0.03 -0.47 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 1oun s GLN 74 Cb -0.08 0.25 -0.09 0.00 1.00 0.00 0.00 33.01 34.09 1oun s GLN 74 CO 0.01 -0.16 0.77 -1.25 -2.12 0.00 0.00 175.29 172.55 1oun s PRO 75 N -1.87 4.04 0.36 2.91 0.04 -1.26 -0.78 135.00 138.43 1oun s PRO 75 Ca -0.11 0.74 0.07 0.00 0.04 0.00 0.00 61.00 61.75 1oun s PRO 75 Cb -0.05 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1oun s PRO 75 CO -0.00 0.12 0.35 0.95 0.04 0.00 0.00 177.00 178.46 1oun s THR 76 N -2.03 3.36 0.51 1.26 -4.23 0.71 -4.86 115.64 110.36 1oun s THR 76 Ca 0.55 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.93 1oun s THR 76 Cb -0.10 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.84 1oun s THR 76 CO 0.17 -0.12 2.13 -0.65 -0.54 0.00 0.00 174.62 175.61 1oun h PRO 77 N 1.12 0.00 -0.68 3.99 0.11 -1.98 -0.52 132.00 134.03 1oun h PRO 77 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1oun h PRO 77 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1oun h PRO 77 CO 0.57 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 1oun n ASP 78 N -4.49 2.05 -0.40 -2.05 8.00 -1.26 -4.86 116.55 113.54 1oun n ASP 78 Ca -0.03 -2.20 -0.05 0.00 0.71 0.00 0.00 54.79 53.22 1oun n ASP 78 Cb 0.11 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 1oun n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1oun n SER 79 N 0.17 -4.15 -4.68 -2.24 7.64 -0.20 -5.02 113.62 105.14 1oun n SER 79 Ca 0.08 0.13 -0.24 0.00 1.01 0.00 0.00 58.87 59.84 1oun n SER 79 Cb 0.43 -2.10 0.10 0.00 -1.01 0.00 0.00 64.21 61.63 1oun n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oun s ILE 81 N -3.20 2.21 -0.07 0.00 1.01 0.07 -0.21 121.20 121.02 1oun s ILE 81 Ca 0.65 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1oun s ILE 81 Cb -0.07 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1oun s ILE 81 CO 0.45 0.55 -0.23 -0.51 0.00 0.00 0.00 174.94 175.20 1oun s ILE 82 N 0.44 2.22 0.03 2.92 2.07 0.04 0.11 121.20 129.02 1oun s ILE 82 Ca -0.15 -1.00 0.05 0.00 -1.41 0.00 0.00 60.65 58.14 1oun s ILE 82 Cb -0.17 -1.83 -0.02 0.00 0.13 0.00 0.00 42.46 40.57 1oun s ILE 82 CO 0.06 0.57 -0.15 -0.44 -1.91 0.00 0.00 174.94 173.07 1oun s SER 83 N -0.07 1.77 -0.11 4.50 0.01 -0.02 -0.76 113.70 119.02 1oun s SER 83 Ca -0.06 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1oun s SER 83 Cb -0.14 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1oun s SER 83 CO 0.05 0.07 -0.17 -0.32 0.41 0.00 0.00 173.24 173.28 1oun s MET 84 N -1.01 2.40 -0.03 12.44 1.75 0.57 -1.94 119.30 133.48 1oun s MET 84 Ca 0.03 -0.63 0.06 0.00 -1.25 0.00 0.00 55.69 53.90 1oun s MET 84 Cb -0.08 -1.98 -0.02 0.00 2.84 0.00 0.00 34.83 35.59 1oun s MET 84 CO 0.01 -0.02 -0.21 0.08 -0.65 0.00 0.00 175.02 174.23 1oun s VAL 85 N 0.84 2.47 -0.05 10.11 1.01 0.75 -1.00 120.40 134.54 1oun s VAL 85 Ca -0.09 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1oun s VAL 85 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1oun s VAL 85 CO 0.00 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 1oun s VAL 86 N -0.65 1.36 0.00 2.92 1.01 -0.14 -0.53 120.40 124.37 1oun s VAL 86 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1oun s VAL 86 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1oun s VAL 86 CO -0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1oun n GLY 87 N 3.37 1.38 3.23 4.51 0.00 -0.88 -0.93 105.19 115.85 1oun n GLY 87 Ca -0.19 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1oun n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oun s GLN 88 N -0.34 0.96 -0.02 1.61 -0.21 0.92 -1.05 119.66 121.54 1oun s GLN 88 Ca 0.00 -1.06 0.05 0.00 0.02 0.00 0.00 55.36 54.37 1oun s GLN 88 Cb 0.00 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 32.91 1oun s GLN 88 CO 0.00 0.25 -0.17 -0.48 -2.12 0.00 0.00 175.29 172.77 1oun s LEU 89 N -1.84 2.02 -0.21 2.90 0.05 0.45 -1.39 118.68 120.66 1oun s LEU 89 Ca 0.02 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.90 1oun s LEU 89 Cb -0.10 -0.87 0.05 0.00 -2.05 0.00 0.00 46.19 43.23 1oun s LEU 89 CO 0.03 0.20 -0.06 -0.75 -0.55 0.00 0.00 176.35 175.22 1oun s LYS 90 N -0.35 1.60 -0.08 1.48 2.47 -0.37 -0.86 119.74 123.63 1oun s LYS 90 Ca 0.05 -0.79 0.04 0.00 -1.56 0.00 0.00 55.97 53.72 1oun s LYS 90 Cb -0.07 -2.37 -0.01 0.00 -1.46 0.00 0.00 37.83 33.93 1oun s LYS 90 CO -0.00 -0.52 -0.23 0.00 0.16 0.00 0.00 175.35 174.76 1oun s ALA 91 N 1.49 2.23 0.00 3.13 0.00 -1.26 0.08 121.76 127.43 1oun s ALA 91 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1oun s ALA 91 Cb -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1oun s ALA 91 CO -0.07 0.35 0.00 -0.25 0.00 0.00 0.00 175.76 175.79 1oun n ASP 92 N 3.22 0.00 -0.97 0.00 8.00 0.64 -0.26 116.55 127.18 1oun n ASP 92 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 1oun n ASP 92 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.89 1oun n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oun n GLU 93 N 14.00 3.13 -1.43 -1.24 -0.58 -1.26 -4.99 120.64 128.27 1oun n GLU 93 Ca 0.00 -2.77 -0.30 0.00 -0.42 0.00 0.00 57.16 53.67 1oun n GLU 93 Cb 0.00 -1.81 0.11 0.00 -0.57 0.00 0.00 31.44 29.17 1oun n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1oun s ASP 94 N -1.67 4.08 0.56 1.62 1.01 0.65 -5.01 116.67 117.90 1oun s ASP 94 Ca 0.41 1.36 -0.17 0.00 0.71 0.00 0.00 52.55 54.86 1oun s ASP 94 Cb 0.32 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 42.13 1oun s ASP 94 CO 0.11 -2.24 1.04 -2.16 0.21 0.00 0.00 175.17 172.13 1oun s PRO 95 N -5.08 3.54 0.13 8.23 0.04 -1.26 -4.60 135.00 136.01 1oun s PRO 95 Ca 0.62 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1oun s PRO 95 Cb -0.16 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1oun s PRO 95 CO 0.55 -0.62 1.73 0.42 0.04 0.00 0.00 177.00 179.12 1oun s ILE 96 N -2.44 2.57 0.17 0.56 1.01 -1.26 -4.75 121.20 117.06 1oun s ILE 96 Ca 0.63 0.21 0.11 0.00 0.00 0.00 0.00 60.65 61.60 1oun s ILE 96 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1oun s ILE 96 CO 0.33 0.01 -0.24 -0.04 0.00 0.00 0.00 174.94 174.99 1oun s MET 97 N 2.17 1.46 0.26 2.79 -1.94 -0.04 -4.90 119.30 119.10 1oun s MET 97 Ca 0.76 -1.46 -0.08 0.00 -1.71 0.00 0.00 55.69 53.20 1oun s MET 97 Cb -0.45 -1.82 -0.06 0.00 2.01 0.00 0.00 34.83 34.51 1oun s MET 97 CO 0.34 0.40 0.56 0.20 -0.01 0.00 0.00 175.02 176.51 1oun s GLY 98 N -2.49 2.10 0.20 -0.03 0.00 -1.26 0.17 107.32 106.02 1oun s GLY 98 Ca 0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 44.72 44.42 1oun s GLY 98 CO 0.08 -0.26 0.34 -0.11 0.00 0.00 0.00 173.10 173.16 1oun s PHE 99 N -1.94 0.46 -0.00 1.90 -0.12 -0.21 0.81 117.98 118.87 1oun s PHE 99 Ca 0.46 -0.80 0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1oun s PHE 99 Cb -0.11 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 1oun s PHE 99 CO 0.25 -0.82 -0.06 -3.38 -0.05 0.00 0.00 175.22 171.16 1oun s HIS 100 N -4.01 0.56 0.02 3.49 -3.43 -0.45 -2.08 115.29 109.40 1oun s HIS 100 Ca 0.21 -0.13 0.01 0.00 -0.80 0.00 0.00 55.06 54.35 1oun s HIS 100 Cb 0.02 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.80 1oun s HIS 100 CO 0.05 -0.01 -0.04 -1.14 -2.00 0.00 0.00 174.74 171.59 1oun s GLN 101 N -0.26 0.35 0.00 -0.38 0.74 0.31 -2.04 119.66 118.37 1oun s GLN 101 Ca 0.01 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.91 1oun s GLN 101 Cb -0.03 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 33.99 1oun s GLN 101 CO -0.00 0.00 -0.09 1.41 -0.55 0.00 0.00 175.29 176.06 1oun s MET 102 N -1.19 0.71 -0.01 1.67 -2.45 -0.19 -0.18 119.30 117.66 1oun s MET 102 Ca -0.10 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 1oun s MET 102 Cb -0.08 -0.68 -0.00 0.00 1.25 0.00 0.00 34.83 35.32 1oun s MET 102 CO -0.00 0.18 -0.06 -0.06 1.05 0.00 0.00 175.02 176.13 1oun s PHE 103 N -0.36 0.58 -0.25 4.11 0.08 -0.82 -1.69 117.98 119.63 1oun s PHE 103 Ca 0.02 -0.11 -0.00 0.00 0.12 0.00 0.00 56.93 56.95 1oun s PHE 103 Cb -0.04 -0.40 0.04 0.00 -0.57 0.00 0.00 43.02 42.05 1oun s PHE 103 CO -0.00 -0.03 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.84 1oun s LEU 104 N 0.00 3.26 -0.06 -0.37 2.96 -0.53 -0.84 118.68 123.10 1oun s LEU 104 Ca 0.00 -1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 52.85 1oun s LEU 104 Cb -0.04 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1oun s LEU 104 CO -0.00 -0.15 0.06 -0.76 -1.32 0.00 0.00 176.35 174.17 1oun s LEU 105 N 1.26 3.85 -0.02 -0.68 1.43 0.12 -1.82 118.68 122.82 1oun s LEU 105 Ca -0.02 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1oun s LEU 105 Cb -0.18 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1oun s LEU 105 CO -0.05 0.35 -0.07 -0.75 0.23 0.00 0.00 176.35 176.06 1oun s LYS 106 N -1.23 0.74 -0.37 1.70 2.20 0.34 -0.75 119.74 122.37 1oun s LYS 106 Ca 0.17 -0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.31 1oun s LYS 106 Cb -0.12 -0.72 0.01 0.00 -1.51 0.00 0.00 37.83 35.50 1oun s LYS 106 CO 0.07 0.08 0.87 1.21 -0.36 0.00 0.00 175.35 177.21 1oun s ASN 107 N 0.22 6.62 -0.10 1.43 2.47 -1.25 -0.10 114.94 124.23 1oun s ASN 107 Ca -0.03 0.46 -0.01 0.00 0.42 0.00 0.00 52.86 53.71 1oun s ASN 107 Cb -0.08 -2.43 0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1oun s ASN 107 CO 0.00 -0.81 -0.06 -0.63 -3.72 0.00 0.00 177.10 171.88 1oun s ILE 108 N 3.33 0.86 -0.88 -5.21 1.01 1.22 -4.76 121.20 116.77 1oun s ILE 108 Ca 0.35 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 1oun s ILE 108 Cb -0.12 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1oun s ILE 108 CO 0.18 0.34 0.75 0.59 0.00 0.00 0.00 174.94 176.80 1oun n ASN 109 N 4.95 -3.81 0.00 3.58 3.02 -1.26 -1.62 115.26 120.13 1oun n ASN 109 Ca -0.12 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1oun n ASN 109 Cb 0.50 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1oun n ASN 109 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1oun n ASP 110 N -1.91 -3.62 -4.25 6.41 2.03 -1.26 -4.96 116.55 109.00 1oun n ASP 110 Ca -0.07 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.00 1oun n ASP 110 Cb 0.57 -1.99 -0.13 0.00 -0.72 0.00 0.00 41.12 38.85 1oun n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oun s ALA 111 N -1.64 1.67 -0.31 -1.67 0.00 -0.64 -5.10 121.76 114.07 1oun s ALA 111 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1oun s ALA 111 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1oun s ALA 111 CO 0.00 0.35 0.53 -1.58 0.00 0.00 0.00 175.76 175.06 1oun s TRP 112 N -0.96 3.22 0.29 0.00 0.52 -1.26 0.38 118.94 121.13 1oun s TRP 112 Ca 0.06 0.44 0.10 0.00 0.02 0.00 0.00 56.10 56.72 1oun s TRP 112 Cb -0.09 -2.86 -0.06 0.00 -1.15 0.00 0.00 33.47 29.32 1oun s TRP 112 CO 0.03 -0.42 -0.14 0.14 0.02 0.00 0.00 176.95 176.58 1oun s VAL 113 N 2.41 2.17 -0.32 4.03 -7.23 0.85 -4.92 120.40 117.39 1oun s VAL 113 Ca 0.21 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1oun s VAL 113 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1oun s VAL 113 CO 0.11 -0.34 0.24 0.00 -0.31 0.00 0.00 175.10 174.80 1oun n THR 115 N 5.10 0.55 -3.75 0.00 -2.24 -0.76 -4.14 114.28 109.05 1oun n THR 115 Ca -0.13 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 1oun n THR 115 Cb 0.50 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 1oun n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oun s ASN 116 N -5.01 -0.10 -0.04 3.42 0.01 -1.24 -0.40 114.94 111.58 1oun s ASN 116 Ca -0.07 0.29 -0.02 0.00 -0.71 0.00 0.00 52.86 52.36 1oun s ASN 116 Cb 0.11 0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.98 1oun s ASN 116 CO 0.87 -0.15 0.06 -0.62 -1.51 0.00 0.00 177.10 175.75 1oun s ASP 117 N 1.16 0.75 -0.10 -1.22 -1.08 -0.21 -1.45 116.67 114.52 1oun s ASP 117 Ca -0.09 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.06 1oun s ASP 117 Cb -0.11 -0.07 0.01 0.00 -1.46 0.00 0.00 42.92 41.28 1oun s ASP 117 CO -0.06 -0.21 -0.16 -0.04 0.52 0.00 0.00 175.17 175.22 1oun s MET 118 N 1.83 2.26 -0.03 4.34 -1.94 -0.68 -0.49 119.30 124.58 1oun s MET 118 Ca 0.00 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 1oun s MET 118 Cb -0.12 -1.86 0.01 0.00 2.01 0.00 0.00 34.83 34.86 1oun s MET 118 CO -0.03 -0.00 -0.08 0.12 -0.01 0.00 0.00 175.02 175.01 1oun s PHE 119 N 0.80 0.92 -0.10 -0.03 5.36 0.95 -1.02 117.98 124.86 1oun s PHE 119 Ca -0.10 -0.24 -0.07 0.00 -0.96 0.00 0.00 56.93 55.56 1oun s PHE 119 Cb -0.16 -0.68 0.04 0.00 -0.34 0.00 0.00 43.02 41.89 1oun s PHE 119 CO 0.01 -0.11 0.25 0.50 -1.46 0.00 0.00 175.22 174.41 1oun s ARG 120 N 0.29 0.24 0.28 10.12 3.52 -0.87 -0.79 118.95 131.75 1oun s ARG 120 Ca -0.05 0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 55.82 1oun s ARG 120 Cb -0.09 -0.02 -0.09 0.00 -1.56 0.00 0.00 34.95 33.19 1oun s ARG 120 CO 0.01 -0.11 0.78 -0.51 -0.81 0.00 0.00 175.30 174.66 1oun s LEU 121 N 0.82 4.23 -0.35 -0.88 1.43 -1.26 -1.34 118.68 121.33 1oun s LEU 121 Ca -0.06 1.48 -0.21 0.00 -1.03 0.00 0.00 54.13 54.31 1oun s LEU 121 Cb -0.07 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1oun s LEU 121 CO -0.05 -0.08 0.64 0.00 0.23 0.00 0.00 176.35 177.08 1oun s ALA 122 N -1.72 3.46 0.32 4.21 0.00 0.24 -4.94 121.76 123.33 1oun s ALA 122 Ca 0.49 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 1oun s ALA 122 Cb -0.15 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1oun s ALA 122 CO 0.20 -1.34 0.91 -0.51 0.00 0.00 0.00 175.76 175.02 1oun s LEU 123 N 2.72 4.30 0.02 0.00 1.43 -1.26 -4.25 118.68 121.64 1oun s LEU 123 Ca 0.25 1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.80 1oun s LEU 123 Cb -0.14 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1oun s LEU 123 CO 0.15 -0.08 1.16 -2.28 0.23 0.00 0.00 176.35 175.53 1oun s HIS 124 N -1.66 3.41 -0.36 0.29 5.65 -1.26 -4.95 115.29 116.40 1oun s HIS 124 Ca 0.50 1.34 -0.29 0.00 0.25 0.00 0.00 55.06 56.87 1oun s HIS 124 Cb -0.17 -3.37 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 1oun s HIS 124 CO 0.22 -1.08 1.43 0.54 -0.65 0.00 0.00 174.74 175.20 1oun s ASN 125 N 1.16 6.38 0.00 9.88 2.20 -1.26 -5.28 114.94 128.02 1oun s ASN 125 Ca 0.57 1.01 0.27 0.00 -0.94 0.00 0.00 52.86 53.77 1oun s ASN 125 Cb -0.27 -2.54 0.77 0.00 -2.00 0.00 0.00 41.25 37.21 1oun s ASN 125 CO 0.27 -1.36 1.59 0.49 -2.94 0.00 0.00 177.10 175.15