#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2d h THR 4 N 0.00 1.32 -0.14 0.00 1.35 -2.04 -2.06 112.91 111.34 1n2d h THR 4 Ca 0.00 -2.05 0.03 0.00 -0.55 0.00 0.00 66.41 63.84 1n2d h THR 4 Cb 0.00 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1n2d h THR 4 CO 0.00 0.63 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.76 1n2d h ARG 5 N 0.29 -0.01 -0.45 4.72 2.43 -2.05 1.43 114.38 120.73 1n2d h ARG 5 Ca -0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1n2d h ARG 5 Cb 1.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1n2d h ARG 5 CO 0.16 -0.01 0.14 0.00 -1.51 0.00 0.00 179.97 178.74 1n2d h ALA 6 N 1.12 0.60 0.00 2.80 0.00 -2.00 -1.33 119.26 120.45 1n2d h ALA 6 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1n2d h ALA 6 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n2d h ALA 6 CO -0.16 0.25 -0.35 -0.91 0.00 0.00 0.00 179.25 178.08 1n2d h ASN 7 N 0.60 0.00 -0.25 0.00 2.35 -0.88 -1.46 115.58 115.94 1n2d h ASN 7 Ca 0.15 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1n2d h ASN 7 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1n2d h ASN 7 CO -0.00 0.35 -0.39 0.50 -1.65 0.00 0.00 177.43 176.24 1n2d h LYS 8 N 0.00 0.71 -0.04 0.81 3.64 0.23 -0.66 116.57 121.26 1n2d h LYS 8 Ca -0.00 -0.43 -0.09 0.00 -1.27 0.00 0.00 60.65 58.86 1n2d h LYS 8 Cb 0.77 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1n2d h LYS 8 CO 0.05 1.05 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.45 1n2d h ASP 9 N 0.44 0.09 -0.33 4.20 3.32 -0.98 0.12 116.42 123.28 1n2d h ASP 9 Ca 0.02 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1n2d h ASP 9 Cb 0.98 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1n2d h ASP 9 CO 0.09 0.47 -0.35 0.40 -1.72 0.00 0.00 179.24 178.13 1n2d h ILE 10 N 0.08 1.29 -0.23 0.35 2.04 -1.10 -1.37 117.51 118.56 1n2d h ILE 10 Ca 0.01 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1n2d h ILE 10 Cb 0.72 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1n2d h ILE 10 CO 0.05 0.50 0.13 0.15 0.00 0.00 0.00 178.15 178.98 1n2d h PHE 11 N 0.59 0.24 -0.86 1.37 3.04 -0.41 -1.21 116.94 119.69 1n2d h PHE 11 Ca 0.05 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.10 1n2d h PHE 11 Cb 0.93 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 1n2d h PHE 11 CO 0.07 0.14 0.51 1.15 -2.02 0.00 0.00 178.31 178.16 1n2d h THR 12 N 0.26 0.94 -0.80 4.41 2.02 -0.66 0.88 112.91 119.97 1n2d h THR 12 Ca 0.09 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1n2d h THR 12 Cb 0.01 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.38 1n2d h THR 12 CO -0.05 0.16 0.52 0.25 0.37 0.00 0.00 175.52 176.77 1n2d h LEU 13 N 0.86 0.93 -0.37 2.58 6.46 -0.33 -2.34 115.31 123.10 1n2d h LEU 13 Ca 0.41 -0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.95 1n2d h LEU 13 Cb 0.34 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1n2d h LEU 13 CO -0.24 0.68 -0.81 -0.26 -0.62 0.00 0.00 178.44 177.20 1n2d h PHE 14 N 1.09 0.29 -0.30 1.25 -1.00 0.08 -3.38 116.94 114.97 1n2d h PHE 14 Ca 0.29 -0.15 -0.62 0.00 2.81 0.00 0.00 57.97 60.31 1n2d h PHE 14 Cb -0.11 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1n2d h PHE 14 CO 0.00 0.92 2.33 -3.47 -1.61 0.00 0.00 178.31 176.48 1n2d n ASP 15 N -3.70 3.65 -0.36 2.17 2.03 0.12 -4.75 116.55 115.71 1n2d n ASP 15 Ca -0.03 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1n2d n ASP 15 Cb 0.76 -1.56 0.14 0.00 -0.72 0.00 0.00 41.12 39.74 1n2d n ASP 15 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1n2d h LYS 16 N 7.53 1.18 -0.00 -0.67 1.79 -1.76 -1.65 116.57 122.98 1n2d h LYS 16 Ca 0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1n2d h LYS 16 Cb 0.76 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1n2d h LYS 16 CO 1.68 0.78 0.00 1.63 -1.08 0.00 0.00 179.45 182.47 1n2d n LYS 17 N -4.47 1.16 -3.93 3.15 5.02 -1.26 -4.91 118.16 112.91 1n2d n LYS 17 Ca 0.13 -0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1n2d n LYS 17 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1n2d n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n2d n GLY 18 N 1.04 -0.36 0.91 0.72 0.00 -0.62 -4.86 105.19 102.02 1n2d n GLY 18 Ca 0.23 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1n2d n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n2d n GLN 19 N -4.45 2.08 -0.96 1.61 6.02 -1.26 -4.94 117.38 115.48 1n2d n GLN 19 Ca -0.14 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1n2d n GLN 19 Cb 0.60 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1n2d n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n2d n GLY 20 N 1.24 0.54 3.36 1.08 0.00 -1.26 -5.00 105.19 105.14 1n2d n GLY 20 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1n2d n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2d s ALA 21 N -2.07 -1.18 0.17 4.61 0.00 -1.26 -4.18 121.76 117.86 1n2d s ALA 21 Ca 0.00 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.94 1n2d s ALA 21 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1n2d s ALA 21 CO 0.00 -0.28 -0.06 0.96 0.00 0.00 0.00 175.76 176.38 1n2d s ILE 22 N -0.83 3.40 0.24 0.00 -4.36 -0.42 -4.81 121.20 114.43 1n2d s ILE 22 Ca -0.09 -1.55 -0.31 0.00 -0.26 0.00 0.00 60.65 58.44 1n2d s ILE 22 Cb -0.03 -2.69 -0.12 0.00 1.25 0.00 0.00 42.46 40.86 1n2d s ILE 22 CO 0.05 -0.10 1.58 0.00 0.24 0.00 0.00 174.94 176.71 1n2d n ALA 23 N 0.02 2.08 -0.25 2.27 0.00 -1.26 -0.39 120.51 122.98 1n2d n ALA 23 Ca -0.10 0.40 0.21 0.00 0.00 0.00 0.00 53.44 53.95 1n2d n ALA 23 Cb 0.55 -2.41 0.54 0.00 0.00 0.00 0.00 19.45 18.13 1n2d n ALA 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1n2d h LYS 24 N 5.27 0.34 0.00 0.00 3.64 -1.75 0.17 116.57 124.24 1n2d h LYS 24 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1n2d h LYS 24 Cb 1.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1n2d h LYS 24 CO 0.84 0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 177.99 1n2d n ASP 25 N -4.49 0.18 -0.93 4.20 10.43 -1.26 -1.66 116.55 123.02 1n2d n ASP 25 Ca 0.20 0.56 0.12 0.00 2.57 0.00 0.00 54.79 58.25 1n2d n ASP 25 Cb 0.77 -0.59 0.20 0.00 1.84 0.00 0.00 41.12 43.34 1n2d n ASP 25 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1n2d n SER 26 N -1.72 2.85 -0.08 -2.24 7.64 0.59 -4.57 113.62 116.09 1n2d n SER 26 Ca 0.01 -1.92 -0.06 0.00 1.01 0.00 0.00 58.87 57.91 1n2d n SER 26 Cb 0.10 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1n2d n SER 26 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1n2d h LEU 27 N 4.22 -0.22 -0.94 -3.43 5.85 -1.42 -1.29 115.31 118.08 1n2d h LEU 27 Ca 0.00 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1n2d h LEU 27 Cb 0.90 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1n2d h LEU 27 CO 0.00 -0.07 0.60 1.23 -0.34 0.00 0.00 178.44 179.86 1n2d h GLY 28 N 0.03 1.39 1.67 3.75 0.00 -1.82 -0.85 103.07 107.24 1n2d h GLY 28 Ca 0.15 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1n2d h GLY 28 CO -0.29 0.36 -0.41 -0.55 0.00 0.00 0.00 176.54 175.65 1n2d h ASP 29 N 1.14 0.38 -0.49 0.19 3.45 -1.74 -0.96 116.42 118.40 1n2d h ASP 29 Ca 0.39 -0.16 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 1n2d h ASP 29 Cb 0.07 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1n2d h ASP 29 CO -0.14 0.75 -0.10 0.22 -1.57 0.00 0.00 179.24 178.40 1n2d h TYR 30 N 0.30 1.04 -0.55 4.55 3.20 -0.58 0.26 116.97 125.20 1n2d h TYR 30 Ca 0.03 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 1n2d h TYR 30 Cb 0.85 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1n2d h TYR 30 CO 0.02 1.00 0.15 -0.07 -1.64 0.00 0.00 178.16 177.62 1n2d h LEU 31 N 0.78 0.78 -0.29 2.82 3.38 -0.85 -0.91 115.31 121.02 1n2d h LEU 31 Ca 0.12 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1n2d h LEU 31 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n2d h LEU 31 CO 0.05 0.75 -0.19 0.03 0.09 0.00 0.00 178.44 179.17 1n2d h ARG 32 N 0.81 0.64 -0.93 1.13 3.08 -0.86 -0.48 114.38 117.77 1n2d h ARG 32 Ca 0.18 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1n2d h ARG 32 Cb 0.28 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1n2d h ARG 32 CO -0.00 0.89 0.60 0.00 -1.07 0.00 0.00 179.97 180.38 1n2d h ALA 33 N 0.73 1.27 -0.00 0.04 0.00 0.09 -1.51 119.26 119.88 1n2d h ALA 33 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n2d h ALA 33 Cb 0.73 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n2d h ALA 33 CO 0.05 0.40 -0.00 0.44 0.00 0.00 0.00 179.25 180.14 1n2d n ILE 34 N -4.54 0.00 0.00 0.00 -5.35 -0.40 -4.90 119.36 104.18 1n2d n ILE 34 Ca 0.13 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1n2d n ILE 34 Cb 0.15 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1n2d n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n2d n GLY 35 N 1.05 1.14 3.96 3.28 0.00 -0.57 -5.07 105.19 108.99 1n2d n GLY 35 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1n2d n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n2d s TYR 36 N -1.62 3.13 -0.47 1.61 1.51 -0.20 -4.88 117.35 116.43 1n2d s TYR 36 Ca 0.00 0.09 0.09 0.00 -1.01 0.00 0.00 57.07 56.24 1n2d s TYR 36 Cb 0.00 -2.32 0.35 0.00 -0.11 0.00 0.00 41.96 39.88 1n2d s TYR 36 CO 0.00 -0.37 0.85 0.09 -1.11 0.00 0.00 175.55 175.00 1n2d n ASN 37 N -2.03 2.68 -4.81 2.29 3.02 -1.26 -3.82 115.26 111.33 1n2d n ASN 37 Ca 0.02 -3.35 -0.32 0.00 -0.03 0.00 0.00 54.58 50.91 1n2d n ASN 37 Cb 0.58 -0.59 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1n2d n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n2d s PRO 38 N -2.97 2.99 0.53 3.52 0.04 -1.26 -4.84 135.00 133.01 1n2d s PRO 38 Ca 0.44 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 1n2d s PRO 38 Cb 0.32 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1n2d s PRO 38 CO -0.11 -1.06 0.88 0.95 0.04 0.00 0.00 177.00 177.69 1n2d s THR 39 N -2.81 4.82 0.47 1.26 -4.23 -1.26 -4.94 115.64 108.94 1n2d s THR 39 Ca 0.60 0.49 0.14 0.00 -1.18 0.00 0.00 61.69 61.74 1n2d s THR 39 Cb -0.15 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1n2d s THR 39 CO 0.49 -0.93 2.05 0.78 -0.54 0.00 0.00 174.62 176.46 1n2d h ASN 40 N 0.11 0.06 -0.34 3.99 2.35 -2.00 -2.68 115.58 117.07 1n2d h ASN 40 Ca -0.46 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.24 1n2d h ASN 40 Cb 1.20 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1n2d h ASN 40 CO 0.62 0.15 0.05 -0.61 -1.65 0.00 0.00 177.43 175.99 1n2d h GLN 41 N 0.06 0.56 -0.95 0.81 5.75 -2.00 -2.04 115.11 117.31 1n2d h GLN 41 Ca 0.01 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1n2d h GLN 41 Cb 0.18 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 1n2d h GLN 41 CO 0.01 0.64 0.63 1.25 -2.65 0.00 0.00 178.83 178.71 1n2d h LEU 42 N 0.39 1.07 -0.68 -2.39 5.85 -1.87 0.08 115.31 117.77 1n2d h LEU 42 Ca 0.10 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1n2d h LEU 42 Cb 0.36 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1n2d h LEU 42 CO 0.01 0.76 0.28 0.58 -0.34 0.00 0.00 178.44 179.73 1n2d h VAL 43 N 1.26 1.24 -0.46 1.05 2.07 -1.29 -1.16 116.25 118.97 1n2d h VAL 43 Ca 0.36 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1n2d h VAL 43 Cb -0.10 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1n2d h VAL 43 CO -0.09 0.30 -0.21 1.56 0.02 0.00 0.00 177.57 179.15 1n2d h GLN 44 N 0.96 0.95 -0.73 1.57 1.08 -0.66 -2.08 115.11 116.19 1n2d h GLN 44 Ca 0.23 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1n2d h GLN 44 Cb 0.19 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1n2d h GLN 44 CO -0.02 1.07 0.39 -0.44 -0.95 0.00 0.00 178.83 178.88 1n2d h ASP 45 N 0.79 0.91 -0.29 1.46 3.32 -0.75 0.22 116.42 122.07 1n2d h ASP 45 Ca 0.10 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1n2d h ASP 45 Cb 0.78 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1n2d h ASP 45 CO 0.06 0.74 0.08 0.40 -1.72 0.00 0.00 179.24 178.80 1n2d h ILE 46 N 1.02 1.21 -0.10 0.35 2.04 -1.02 -2.29 117.51 118.72 1n2d h ILE 46 Ca 0.26 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1n2d h ILE 46 Cb 0.04 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1n2d h ILE 46 CO -0.04 0.23 0.01 0.40 0.00 0.00 0.00 178.15 178.75 1n2d h ILE 47 N 0.30 1.23 0.00 -0.67 2.04 -0.80 -3.19 117.51 116.41 1n2d h ILE 47 Ca 0.09 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1n2d h ILE 47 Cb 0.27 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1n2d h ILE 47 CO -0.00 0.20 -0.06 0.78 0.00 0.00 0.00 178.15 179.07 1n2d h ASN 48 N -0.08 0.00 1.56 1.72 2.35 -0.60 -2.83 115.58 117.70 1n2d h ASN 48 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1n2d h ASN 48 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1n2d h ASN 48 CO 0.00 0.06 -0.42 0.00 -1.65 0.00 0.00 177.43 175.42 1n2d h ALA 49 N 1.94 0.73 -3.03 -0.83 0.00 -1.39 -3.43 119.26 113.24 1n2d h ALA 49 Ca -0.00 -0.38 -0.68 0.00 0.00 0.00 0.00 54.91 53.84 1n2d h ALA 49 Cb 0.40 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 17.86 1n2d h ALA 49 CO 0.01 0.53 -0.62 0.34 0.00 0.00 0.00 179.25 179.51 1n2d s ASP 50 N -6.42 5.16 0.27 0.00 -1.08 -1.13 -4.99 116.67 108.47 1n2d s ASP 50 Ca 0.04 -0.77 -0.01 0.00 -0.52 0.00 0.00 52.55 51.29 1n2d s ASP 50 Cb 0.07 -1.88 0.52 0.00 -1.46 0.00 0.00 42.92 40.17 1n2d s ASP 50 CO 0.73 -0.21 1.81 0.77 0.52 0.00 0.00 175.17 178.78 1n2d h SER 51 N 8.23 0.75 -0.15 -0.34 4.64 -1.83 0.26 113.55 125.11 1n2d h SER 51 Ca -0.30 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1n2d h SER 51 Cb 1.12 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1n2d h SER 51 CO 0.60 0.38 0.07 0.77 -0.87 0.00 0.00 176.83 177.79 1n2d h SER 52 N 0.83 0.20 -0.08 4.97 4.64 -1.94 -1.45 113.55 120.71 1n2d h SER 52 Ca 0.47 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1n2d h SER 52 Cb 0.52 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1n2d h SER 52 CO -0.29 0.27 0.03 -0.07 -0.87 0.00 0.00 176.83 175.90 1n2d h LEU 53 N 0.12 0.12 -1.27 5.97 3.38 -1.58 -1.93 115.31 120.12 1n2d h LEU 53 Ca 0.05 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.96 1n2d h LEU 53 Cb 0.12 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1n2d h LEU 53 CO -0.01 0.25 0.55 -0.09 0.09 0.00 0.00 178.44 179.24 1n2d h ARG 54 N -0.02 0.77 0.00 1.13 2.43 -0.27 -2.05 114.38 116.36 1n2d h ARG 54 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1n2d h ARG 54 Cb 0.17 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1n2d h ARG 54 CO -0.00 0.51 -0.56 -0.25 -1.51 0.00 0.00 179.97 178.16 1n2d n ASP 55 N -4.53 0.64 -4.79 -3.80 8.00 -0.56 -4.93 116.55 106.59 1n2d n ASP 55 Ca 0.15 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.40 1n2d n ASP 55 Cb 0.34 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1n2d n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2d s ALA 56 N -3.13 2.77 -0.11 2.24 0.00 -0.74 -4.97 121.76 117.83 1n2d s ALA 56 Ca 0.08 0.59 0.18 0.00 0.00 0.00 0.00 51.96 52.80 1n2d s ALA 56 Cb 0.14 -3.27 -0.26 0.00 0.00 0.00 0.00 23.12 19.73 1n2d s ALA 56 CO 0.71 -0.60 0.23 0.45 0.00 0.00 0.00 175.76 176.54 1n2d n SER 57 N -1.42 0.51 -4.03 0.00 2.88 -1.26 -4.87 113.62 105.42 1n2d n SER 57 Ca 0.10 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.55 1n2d n SER 57 Cb 0.52 1.37 -0.09 0.00 -0.75 0.00 0.00 64.21 65.27 1n2d n SER 57 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1n2d s SER 58 N -4.80 0.27 -0.03 -3.46 1.04 -1.26 -2.16 113.70 103.31 1n2d s SER 58 Ca -0.08 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.42 1n2d s SER 58 Cb 0.09 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 1n2d s SER 58 CO 0.78 -0.72 -0.12 -0.76 0.98 0.00 0.00 173.24 173.39 1n2d s LEU 59 N -2.96 1.87 0.61 2.42 1.43 0.48 -4.81 118.68 117.73 1n2d s LEU 59 Ca 0.14 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1n2d s LEU 59 Cb 0.06 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.58 1n2d s LEU 59 CO -0.05 0.11 0.94 0.42 0.23 0.00 0.00 176.35 178.00 1n2d s THR 60 N 0.05 3.62 0.28 5.49 -4.23 -1.26 -1.30 115.64 118.29 1n2d s THR 60 Ca -0.02 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1n2d s THR 60 Cb -0.09 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.56 1n2d s THR 60 CO 0.01 -0.50 1.95 0.25 -0.54 0.00 0.00 174.62 175.78 1n2d h LEU 61 N -0.27 1.04 -0.53 4.79 5.85 -2.00 -1.81 115.31 122.38 1n2d h LEU 61 Ca -0.45 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1n2d h LEU 61 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1n2d h LEU 61 CO 0.61 0.75 0.29 -0.78 -0.34 0.00 0.00 178.44 178.97 1n2d h ASP 62 N 1.23 0.43 -0.66 1.25 3.58 -1.93 0.31 116.42 120.63 1n2d h ASP 62 Ca 0.34 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 1n2d h ASP 62 Cb -0.11 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 1n2d h ASP 62 CO -0.08 0.30 0.25 1.56 -2.88 0.00 0.00 179.24 178.39 1n2d h GLN 63 N 0.56 1.00 -0.23 0.28 4.20 -1.80 -1.43 115.11 117.69 1n2d h GLN 63 Ca 0.23 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1n2d h GLN 63 Cb 0.10 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1n2d h GLN 63 CO -0.14 0.84 -0.05 0.82 -0.67 0.00 0.00 178.83 179.64 1n2d h ILE 64 N 0.94 1.28 -0.53 2.54 2.04 -0.79 -0.57 117.51 122.41 1n2d h ILE 64 Ca 0.22 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.13 1n2d h ILE 64 Cb 0.23 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1n2d h ILE 64 CO -0.02 0.32 0.36 0.74 0.00 0.00 0.00 178.15 179.55 1n2d h THR 65 N 0.17 0.92 -0.30 -0.27 2.02 -0.27 -0.14 112.91 115.05 1n2d h THR 65 Ca 0.06 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.93 1n2d h THR 65 Cb 0.50 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1n2d h THR 65 CO 0.02 0.07 -0.49 1.23 0.37 0.00 0.00 175.52 176.72 1n2d h GLY 66 N 0.38 0.94 1.16 2.16 0.00 -0.69 -2.46 103.07 104.55 1n2d h GLY 66 Ca 0.24 -1.07 -0.09 0.00 0.00 0.00 0.00 47.33 46.41 1n2d h GLY 66 CO -0.06 0.96 0.01 1.41 0.00 0.00 0.00 176.54 178.85 1n2d h LEU 67 N 0.64 0.98 -0.30 3.11 3.38 0.16 -2.25 115.31 121.03 1n2d h LEU 67 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1n2d h LEU 67 Cb 1.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1n2d h LEU 67 CO 0.11 1.03 0.13 0.40 0.09 0.00 0.00 178.44 180.21 1n2d h ILE 68 N 0.93 1.16 0.10 1.22 2.04 -1.05 -1.05 117.51 120.86 1n2d h ILE 68 Ca 0.17 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1n2d h ILE 68 Cb 0.53 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1n2d h ILE 68 CO 0.03 0.17 -0.36 -0.33 0.00 0.00 0.00 178.15 177.65 1n2d h GLU 69 N 0.34 -0.56 -0.64 2.37 5.08 -1.26 0.36 114.58 120.26 1n2d h GLU 69 Ca 0.10 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1n2d h GLU 69 Cb 0.15 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1n2d h GLU 69 CO -0.01 -0.37 0.29 0.28 -1.00 0.00 0.00 179.01 178.20 1n2d h VAL 70 N -0.58 0.83 -0.61 3.13 2.07 -1.27 -2.78 116.25 117.04 1n2d h VAL 70 Ca 0.03 -0.18 -0.30 0.00 0.82 0.00 0.00 66.70 67.07 1n2d h VAL 70 Cb 0.62 0.28 -0.18 0.00 -1.52 0.00 0.00 31.29 30.49 1n2d h VAL 70 CO -0.23 0.09 0.21 0.59 0.02 0.00 0.00 177.57 178.26 1n2d n ASN 71 N -4.92 3.10 -0.32 0.57 4.13 -0.41 -4.73 115.26 112.69 1n2d n ASN 71 Ca 0.09 -3.67 -0.02 0.00 1.68 0.00 0.00 54.58 52.66 1n2d n ASN 71 Cb 0.25 -0.71 0.10 0.00 -1.54 0.00 0.00 39.78 37.88 1n2d n ASN 71 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1n2d h GLU 72 N 1.11 1.07 -0.37 3.52 4.81 0.00 -1.07 114.58 123.65 1n2d h GLU 72 Ca 0.37 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1n2d h GLU 72 Cb 2.14 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1n2d h GLU 72 CO 0.67 0.70 0.14 0.87 -0.73 0.00 0.00 179.01 180.67 1n2d h LYS 73 N 1.10 0.55 -0.49 1.92 1.57 -1.85 0.13 116.57 119.50 1n2d h LYS 73 Ca 0.34 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1n2d h LYS 73 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1n2d h LYS 73 CO -0.11 0.54 -0.08 0.93 -0.57 0.00 0.00 179.45 180.16 1n2d h GLU 74 N 0.45 0.89 -0.28 3.15 5.08 -1.87 -1.98 114.58 120.02 1n2d h GLU 74 Ca 0.12 -0.30 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1n2d h GLU 74 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1n2d h GLU 74 CO -0.01 0.93 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.36 1n2d h LEU 75 N 0.80 0.93 -1.50 1.33 3.38 -1.01 -2.98 115.31 116.26 1n2d h LEU 75 Ca 0.14 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1n2d h LEU 75 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1n2d h LEU 75 CO 0.04 1.28 -0.15 0.44 0.09 0.00 0.00 178.44 180.14 1n2d h ASP 76 N 0.61 0.13 0.36 -0.43 3.32 -0.64 -1.65 116.42 118.12 1n2d h ASP 76 Ca 0.02 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1n2d h ASP 76 Cb 1.11 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1n2d h ASP 76 CO 0.11 0.29 -0.02 0.00 -1.72 0.00 0.00 179.24 177.91 1n2d h ALA 77 N 1.72 1.07 -0.00 3.45 0.00 -1.20 -2.16 119.26 122.14 1n2d h ALA 77 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n2d h ALA 77 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1n2d h ALA 77 CO 0.02 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.55 1n2d n THR 78 N -3.21 0.00 -0.88 0.00 -2.24 -0.62 -3.47 114.28 103.85 1n2d n THR 78 Ca -0.02 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1n2d n THR 78 Cb 0.17 -0.35 0.24 0.00 -2.10 0.00 0.00 70.33 68.28 1n2d n THR 78 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n2d n THR 79 N -0.83 2.08 0.85 4.28 -2.24 -0.81 -4.00 114.28 113.62 1n2d n THR 79 Ca 0.23 -1.77 0.10 0.00 -2.27 0.00 0.00 64.05 60.34 1n2d n THR 79 Cb 0.14 -0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1n2d n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n2d n LYS 80 N -0.41 1.74 -1.61 -0.78 4.76 -1.23 -5.03 118.16 115.60 1n2d n LYS 80 Ca 0.20 -1.51 -0.41 0.00 -2.87 0.00 0.00 58.31 53.72 1n2d n LYS 80 Cb 0.81 -1.39 0.02 0.00 -1.84 0.00 0.00 35.03 32.63 1n2d n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n2d n ALA 81 N 0.84 0.18 -2.48 7.82 0.00 -1.26 -5.01 120.51 120.59 1n2d n ALA 81 Ca 0.11 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.49 1n2d n ALA 81 Cb 0.48 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.71 1n2d n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n2d s LYS 82 N -2.11 1.39 0.31 0.00 -0.14 -1.26 -5.04 119.74 112.88 1n2d s LYS 82 Ca 0.65 -0.93 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1n2d s LYS 82 Cb -0.53 -1.49 0.72 0.00 -1.68 0.00 0.00 37.83 34.84 1n2d s LYS 82 CO 0.56 0.38 1.57 1.15 -0.76 0.00 0.00 175.35 178.25 1n2d h THR 83 N 4.37 0.01 0.00 2.17 2.02 -1.95 0.49 112.91 120.03 1n2d h THR 83 Ca -0.42 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1n2d h THR 83 Cb 1.16 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1n2d h THR 83 CO 0.44 0.00 -0.01 1.05 0.37 0.00 0.00 175.52 177.37 1n2d h GLU 84 N 0.01 0.00 0.00 6.66 9.09 -2.00 -2.46 114.58 125.87 1n2d h GLU 84 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1n2d h GLU 84 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1n2d h GLU 84 CO -0.94 0.01 0.00 -0.25 0.05 0.00 0.00 179.01 177.88 1n2d n ASP 85 N -3.45 0.55 0.00 3.06 8.00 0.17 -2.90 116.55 121.98 1n2d n ASP 85 Ca -0.03 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1n2d n ASP 85 Cb 0.10 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1n2d n ASP 85 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1n2d n PHE 86 N -2.17 0.00 -0.21 1.24 3.01 -0.93 -4.77 117.46 113.63 1n2d n PHE 86 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.48 1n2d n PHE 86 Cb 0.12 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.71 1n2d n PHE 86 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1n2d h VAL 87 N 0.02 0.67 -0.04 -4.37 -1.51 -1.55 -1.58 116.25 107.89 1n2d h VAL 87 Ca 0.00 -0.11 -0.08 0.00 -1.23 0.00 0.00 66.70 65.28 1n2d h VAL 87 Cb 0.01 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 29.48 1n2d h VAL 87 CO 0.00 0.06 -0.34 0.11 -1.23 0.00 0.00 177.57 176.17 1n2d h LYS 88 N 0.32 0.08 -0.50 5.19 1.57 -1.86 -2.14 116.57 119.24 1n2d h LYS 88 Ca 0.33 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1n2d h LYS 88 Cb 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1n2d h LYS 88 CO -0.38 0.42 0.28 0.00 -0.57 0.00 0.00 179.45 179.19 1n2d h ALA 89 N 1.59 0.64 0.00 3.86 0.00 -1.61 -2.23 119.26 121.51 1n2d h ALA 89 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1n2d h ALA 89 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n2d h ALA 89 CO 0.05 0.16 -0.26 0.74 0.00 0.00 0.00 179.25 179.94 1n2d h PHE 90 N 0.67 0.00 -0.78 0.00 -1.00 -1.25 -3.11 116.94 111.47 1n2d h PHE 90 Ca 0.18 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.07 1n2d h PHE 90 Cb 0.05 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1n2d h PHE 90 CO -0.02 0.26 0.51 1.96 -1.61 0.00 0.00 178.31 179.42 1n2d h GLN 91 N 0.00 0.61 -0.17 1.51 1.08 -0.75 0.10 115.11 117.50 1n2d h GLN 91 Ca -0.00 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1n2d h GLN 91 Cb 0.83 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1n2d h GLN 91 CO 0.03 0.40 0.17 0.28 -0.95 0.00 0.00 178.83 178.77 1n2d h VAL 92 N 0.63 0.54 -0.27 -0.54 2.07 -1.53 -1.03 116.25 116.12 1n2d h VAL 92 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1n2d h VAL 92 Cb 0.58 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1n2d h VAL 92 CO -0.14 0.00 0.00 0.49 0.02 0.00 0.00 177.57 177.94 1n2d n PHE 93 N -3.91 0.36 -2.88 1.57 3.01 0.29 -4.62 117.46 111.28 1n2d n PHE 93 Ca 0.01 -0.48 -0.12 0.00 1.01 0.00 0.00 57.45 57.87 1n2d n PHE 93 Cb 0.30 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.77 1n2d n PHE 93 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1n2d n ASP 94 N 0.33 -0.08 0.25 4.37 2.03 -0.43 -4.85 116.55 118.16 1n2d n ASP 94 Ca 0.09 -3.00 0.16 0.00 0.52 0.00 0.00 54.79 52.56 1n2d n ASP 94 Cb 0.39 0.18 0.87 0.00 -0.72 0.00 0.00 41.12 41.84 1n2d n ASP 94 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1n2d h LYS 95 N 2.86 0.00 -0.65 -0.67 1.57 -1.70 0.41 116.57 118.39 1n2d h LYS 95 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1n2d h LYS 95 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1n2d h LYS 95 CO 0.34 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 1n2d n GLU 96 N -2.65 2.97 -4.03 3.15 -0.58 -1.26 -4.97 120.64 113.27 1n2d n GLU 96 Ca -0.02 -2.46 -0.32 0.00 -0.42 0.00 0.00 57.16 53.94 1n2d n GLU 96 Cb 0.09 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.27 1n2d n GLU 96 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1n2d n SER 97 N 1.22 -1.57 0.05 1.62 7.64 0.13 -4.85 113.62 117.87 1n2d n SER 97 Ca 0.23 -1.14 0.13 0.00 1.01 0.00 0.00 58.87 59.09 1n2d n SER 97 Cb 0.68 -2.43 0.33 0.00 -1.01 0.00 0.00 64.21 61.78 1n2d n SER 97 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n2d n THR 98 N -4.55 0.26 -1.01 0.44 -2.24 -1.26 -4.90 114.28 101.01 1n2d n THR 98 Ca -0.24 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1n2d n THR 98 Cb 0.65 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1n2d n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2d n GLY 99 N 1.40 0.46 3.16 3.38 0.00 -1.26 -5.01 105.19 107.32 1n2d n GLY 99 Ca 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1n2d n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2d s LYS 100 N -0.45 0.81 0.01 1.61 1.02 -1.26 -2.50 119.74 118.98 1n2d s LYS 100 Ca 0.00 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 1n2d s LYS 100 Cb 0.00 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1n2d s LYS 100 CO 0.00 0.07 0.03 0.08 -0.92 0.00 0.00 175.35 174.61 1n2d s VAL 101 N -2.43 0.07 0.60 3.17 1.01 -0.35 -4.73 120.40 117.75 1n2d s VAL 101 Ca 0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1n2d s VAL 101 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1n2d s VAL 101 CO -0.00 -0.34 1.03 -0.94 0.00 0.00 0.00 175.10 174.84 1n2d s SER 102 N -1.05 6.09 0.38 3.32 1.04 -1.26 0.41 113.70 122.63 1n2d s SER 102 Ca -0.11 1.58 0.05 0.00 0.48 0.00 0.00 55.95 57.95 1n2d s SER 102 Cb -0.07 -2.50 0.75 0.00 0.10 0.00 0.00 66.02 64.30 1n2d s SER 102 CO -0.00 -0.96 2.01 1.62 0.98 0.00 0.00 173.24 176.89 1n2d h VAL 103 N 0.12 1.10 -0.47 5.02 3.04 -1.78 -2.11 116.25 121.17 1n2d h VAL 103 Ca -0.45 -0.25 0.01 0.00 -1.01 0.00 0.00 66.70 65.00 1n2d h VAL 103 Cb 1.20 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1n2d h VAL 103 CO 0.60 0.13 0.30 1.23 -1.01 0.00 0.00 177.57 178.82 1n2d h GLY 104 N 0.72 0.65 1.77 3.17 0.00 -1.92 -0.87 103.07 106.60 1n2d h GLY 104 Ca 0.23 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1n2d h GLY 104 CO -0.06 0.23 -0.46 -0.55 0.00 0.00 0.00 176.54 175.70 1n2d h ASP 105 N 0.62 0.27 -0.26 0.19 3.32 -1.79 -1.22 116.42 117.55 1n2d h ASP 105 Ca 0.17 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1n2d h ASP 105 Cb -0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1n2d h ASP 105 CO -0.04 0.70 0.05 0.25 -1.72 0.00 0.00 179.24 178.47 1n2d h LEU 106 N 0.20 0.40 -0.81 1.55 5.85 -1.06 -1.06 115.31 120.38 1n2d h LEU 106 Ca 0.01 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1n2d h LEU 106 Cb 0.90 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1n2d h LEU 106 CO 0.07 0.55 0.44 -0.09 -0.34 0.00 0.00 178.44 179.07 1n2d h ARG 107 N 0.24 1.14 -0.34 1.25 2.43 -0.98 -0.42 114.38 117.70 1n2d h ARG 107 Ca 0.08 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1n2d h ARG 107 Cb 0.31 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1n2d h ARG 107 CO 0.00 0.84 0.21 -0.92 -1.51 0.00 0.00 179.97 178.60 1n2d h TYR 108 N 1.13 0.44 -0.45 2.20 3.20 -0.99 0.15 116.97 122.66 1n2d h TYR 108 Ca 0.28 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1n2d h TYR 108 Cb 0.04 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1n2d h TYR 108 CO 0.00 0.31 0.11 1.98 -1.64 0.00 0.00 178.16 178.93 1n2d h MET 109 N 0.44 0.71 -0.03 1.82 4.05 -0.84 0.16 114.93 121.24 1n2d h MET 109 Ca 0.12 -0.17 -0.20 0.00 -0.28 0.00 0.00 59.70 59.17 1n2d h MET 109 Cb -0.01 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1n2d h MET 109 CO -0.02 0.71 -0.83 -0.07 0.23 0.00 0.00 176.91 176.93 1n2d h LEU 110 N 0.59 0.44 0.00 3.39 3.38 -0.93 -2.97 115.31 119.20 1n2d h LEU 110 Ca 0.14 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1n2d h LEU 110 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1n2d h LEU 110 CO 0.00 1.09 -1.88 0.35 0.09 0.00 0.00 178.44 178.09 1n2d n THR 111 N -3.77 0.00 0.34 0.22 -2.24 0.53 -1.04 114.28 108.32 1n2d n THR 111 Ca -0.05 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1n2d n THR 111 Cb 0.77 0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 1n2d n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2d n GLY 112 N 1.29 -0.43 3.65 3.38 0.00 0.56 -4.48 105.19 109.14 1n2d n GLY 112 Ca -0.03 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1n2d n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2d s LEU 113 N -3.25 2.65 0.00 0.99 1.43 -1.12 -4.96 118.68 114.42 1n2d s LEU 113 Ca 0.00 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 1n2d s LEU 113 Cb 0.10 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1n2d s LEU 113 CO 0.56 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1n2d n GLY 114 N -1.03 2.03 3.44 -3.19 0.00 -1.26 -3.03 105.19 102.14 1n2d n GLY 114 Ca -0.09 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1n2d n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n2d n GLU 115 N 13.91 3.31 -1.16 1.61 1.02 -1.26 -4.96 120.64 133.12 1n2d n GLU 115 Ca 0.00 -3.60 -0.45 0.00 -0.02 0.00 0.00 57.16 53.09 1n2d n GLU 115 Cb 0.00 -3.19 -0.07 0.00 -0.02 0.00 0.00 31.44 28.16 1n2d n GLU 115 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n2d n LYS 116 N 6.42 0.00 -3.22 3.49 5.02 -1.17 -4.97 118.16 123.73 1n2d n LYS 116 Ca 0.42 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.47 1n2d n LYS 116 Cb 0.43 -1.02 -0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1n2d n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n2d s LEU 117 N 1.68 3.86 0.63 -0.35 1.43 -0.20 -4.98 118.68 120.75 1n2d s LEU 117 Ca 0.70 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1n2d s LEU 117 Cb -0.99 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 42.04 1n2d s LEU 117 CO 0.53 -0.47 0.94 0.42 0.23 0.00 0.00 176.35 177.99 1n2d s THR 118 N -2.40 3.19 0.34 5.49 -4.23 -1.26 -4.26 115.64 112.50 1n2d s THR 118 Ca 0.44 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1n2d s THR 118 Cb -0.10 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.57 1n2d s THR 118 CO 0.36 -0.31 1.83 0.44 -0.54 0.00 0.00 174.62 176.41 1n2d h ASP 119 N -0.31 0.37 -0.74 3.99 3.32 -1.98 -2.04 116.42 119.03 1n2d h ASP 119 Ca -0.45 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 1n2d h ASP 119 Cb 1.28 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1n2d h ASP 119 CO 0.60 0.55 0.27 0.00 -1.72 0.00 0.00 179.24 178.95 1n2d h ALA 120 N 1.49 1.07 -0.50 3.45 0.00 -1.99 0.14 119.26 122.93 1n2d h ALA 120 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1n2d h ALA 120 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1n2d h ALA 120 CO 0.03 0.65 0.02 0.93 0.00 0.00 0.00 179.25 180.88 1n2d h GLU 121 N 1.09 0.86 -0.60 0.00 5.08 -1.80 -0.76 114.58 118.45 1n2d h GLU 121 Ca 0.25 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1n2d h GLU 121 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1n2d h GLU 121 CO -0.02 0.89 0.04 0.28 -1.00 0.00 0.00 179.01 179.21 1n2d h VAL 122 N 0.73 1.26 -0.67 3.13 2.07 -0.96 0.03 116.25 121.84 1n2d h VAL 122 Ca 0.14 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1n2d h VAL 122 Cb 0.48 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1n2d h VAL 122 CO 0.02 0.39 0.13 0.44 0.02 0.00 0.00 177.57 178.58 1n2d h ASP 123 N 0.93 1.03 -0.47 0.57 3.32 -0.52 0.18 116.42 121.46 1n2d h ASP 123 Ca 0.18 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1n2d h ASP 123 Cb 0.50 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1n2d h ASP 123 CO 0.02 1.01 0.10 -0.08 -1.72 0.00 0.00 179.24 178.57 1n2d h GLU 124 N 1.02 0.75 -0.34 3.56 4.81 -0.89 -2.74 114.58 120.75 1n2d h GLU 124 Ca 0.21 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1n2d h GLU 124 Cb 0.40 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1n2d h GLU 124 CO 0.01 0.75 0.12 1.25 -0.73 0.00 0.00 179.01 180.41 1n2d h LEU 125 N 0.63 0.13 -2.57 1.64 5.85 -0.47 -2.32 115.31 118.19 1n2d h LEU 125 Ca 0.14 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1n2d h LEU 125 Cb 0.34 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1n2d h LEU 125 CO 0.00 0.11 0.08 -0.07 -0.34 0.00 0.00 178.44 178.23 1n2d h LEU 126 N 0.26 0.00 -1.64 2.25 3.38 -0.36 -1.20 115.31 118.01 1n2d h LEU 126 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1n2d h LEU 126 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n2d h LEU 126 CO -0.16 0.00 -0.20 0.11 0.09 0.00 0.00 178.44 178.28 1n2d h LYS 127 N 0.00 0.00 -0.50 1.13 1.57 -1.24 -2.54 116.57 114.99 1n2d h LYS 127 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n2d h LYS 127 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1n2d h LYS 127 CO -0.00 0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 1n2d n GLY 128 N -0.82 2.78 3.63 3.86 0.00 -0.46 -4.96 105.19 109.22 1n2d n GLY 128 Ca -0.02 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1n2d n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2d s VAL 129 N -1.24 3.84 -0.45 1.61 1.01 -0.96 -5.03 120.40 119.18 1n2d s VAL 129 Ca 0.36 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1n2d s VAL 129 Cb 0.20 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1n2d s VAL 129 CO 0.22 0.35 0.83 -0.70 0.00 0.00 0.00 175.10 175.80 1n2d s GLU 130 N -1.57 3.45 -0.18 2.72 2.12 -1.26 -4.95 118.70 119.02 1n2d s GLU 130 Ca 0.19 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 1n2d s GLU 130 Cb -0.11 -3.93 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 1n2d s GLU 130 CO 0.10 -1.15 -0.12 0.08 -0.54 0.00 0.00 175.26 173.62 1n2d s VAL 131 N 3.43 2.81 1.09 3.70 1.01 -1.26 -4.58 120.40 126.61 1n2d s VAL 131 Ca 0.32 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1n2d s VAL 131 Cb -0.11 -2.22 0.24 0.00 0.00 0.00 0.00 36.38 34.28 1n2d s VAL 131 CO 0.24 0.49 1.15 1.51 0.00 0.00 0.00 175.10 178.49 1n2d s ASP 132 N 1.11 1.88 0.11 3.32 1.47 -1.01 -4.87 116.67 118.69 1n2d s ASP 132 Ca 0.01 0.66 0.15 0.00 1.18 0.00 0.00 52.55 54.54 1n2d s ASP 132 Cb -0.14 -0.96 0.65 0.00 -0.34 0.00 0.00 42.92 42.13 1n2d s ASP 132 CO -0.04 -3.53 1.45 -1.54 0.68 0.00 0.00 175.17 172.19 1n2d n SER 133 N -4.37 0.25 -0.67 2.11 3.41 -1.26 -1.22 113.62 111.87 1n2d n SER 133 Ca 0.12 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1n2d n SER 133 Cb 0.59 -0.63 0.36 0.00 -0.26 0.00 0.00 64.21 64.27 1n2d n SER 133 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1n2d n ASN 134 N -1.80 2.04 -1.43 4.04 4.05 -1.26 -4.93 115.26 115.97 1n2d n ASN 134 Ca 0.02 -1.74 -0.13 0.00 0.45 0.00 0.00 54.58 53.18 1n2d n ASN 134 Cb 0.13 -0.10 -0.01 0.00 1.23 0.00 0.00 39.78 41.03 1n2d n ASN 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1n2d n GLY 135 N 1.22 -0.09 3.37 8.20 0.00 -0.36 -5.00 105.19 112.53 1n2d n GLY 135 Ca 0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1n2d n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2d s GLU 136 N -4.56 1.36 -0.08 1.61 2.02 -1.26 -2.07 118.70 115.72 1n2d s GLU 136 Ca 0.00 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 53.59 1n2d s GLU 136 Cb 0.00 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.71 1n2d s GLU 136 CO 0.00 0.32 -0.23 0.42 0.02 0.00 0.00 175.26 175.79 1n2d s ILE 137 N -1.90 1.93 -0.43 -1.63 1.01 0.17 -2.42 121.20 117.93 1n2d s ILE 137 Ca 0.17 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 1n2d s ILE 137 Cb -0.07 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1n2d s ILE 137 CO 0.08 0.53 1.49 -0.62 0.00 0.00 0.00 174.94 176.42 1n2d s ASP 138 N 0.17 6.20 0.41 3.58 2.15 -1.26 -1.21 116.67 126.70 1n2d s ASP 138 Ca -0.12 0.80 0.27 0.00 0.43 0.00 0.00 52.55 53.93 1n2d s ASP 138 Cb -0.16 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.77 1n2d s ASP 138 CO 0.06 -1.55 1.77 0.10 -0.17 0.00 0.00 175.17 175.38 1n2d h TYR 139 N 11.25 0.00 -0.25 -5.34 -0.00 -1.85 -1.64 116.97 119.15 1n2d h TYR 139 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.32 1n2d h TYR 139 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.84 1n2d h TYR 139 CO 0.98 0.00 -0.33 -0.22 -0.00 0.00 0.00 178.16 178.59 1n2d h LYS 140 N 0.00 0.66 -0.42 0.10 3.64 -1.90 -0.78 116.57 117.86 1n2d h LYS 140 Ca 0.00 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 1n2d h LYS 140 Cb 0.71 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1n2d h LYS 140 CO 0.00 0.99 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.85 1n2d h LYS 141 N 0.37 0.82 -0.03 1.90 3.64 -1.89 -2.11 116.57 119.27 1n2d h LYS 141 Ca 0.03 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1n2d h LYS 141 Cb 0.91 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1n2d h LYS 141 CO 0.08 0.93 -0.22 0.35 -2.27 0.00 0.00 179.45 178.32 1n2d h PHE 142 N 0.64 -0.58 -0.72 1.91 3.57 -1.22 -0.26 116.94 120.28 1n2d h PHE 142 Ca 0.11 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1n2d h PHE 142 Cb 0.63 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1n2d h PHE 142 CO 0.05 -0.30 0.41 0.82 -2.23 0.00 0.00 178.31 177.05 1n2d h ILE 143 N -0.33 0.97 -0.65 1.41 2.04 -1.06 -0.95 117.51 118.94 1n2d h ILE 143 Ca 0.07 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1n2d h ILE 143 Cb 0.42 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1n2d h ILE 143 CO -0.22 0.14 0.43 -0.33 0.00 0.00 0.00 178.15 178.17 1n2d h GLU 144 N 0.75 0.84 -0.55 2.37 5.08 -0.67 -0.65 114.58 121.74 1n2d h GLU 144 Ca 0.32 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1n2d h GLU 144 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1n2d h GLU 144 CO -0.19 0.56 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.94 1n2d h ASP 145 N 0.87 0.96 -0.34 1.42 3.45 -0.51 0.15 116.42 122.42 1n2d h ASP 145 Ca 0.24 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1n2d h ASP 145 Cb -0.08 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.42 1n2d h ASP 145 CO -0.06 1.03 0.18 0.58 -1.57 0.00 0.00 179.24 179.40 1n2d h VAL 146 N 0.86 1.14 0.00 -1.35 2.07 -0.79 -2.67 116.25 115.51 1n2d h VAL 146 Ca 0.16 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1n2d h VAL 146 Cb 0.54 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n2d h VAL 146 CO 0.03 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.70 1n2d h LEU 147 N 0.43 0.00 -9.12 2.57 3.38 -1.03 -3.46 115.31 108.08 1n2d h LEU 147 Ca 0.12 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.47 1n2d h LEU 147 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n2d h LEU 147 CO -0.02 0.00 1.22 -1.14 0.09 0.00 0.00 178.44 178.59 1n2d n ARG 148 N -2.74 2.02 0.00 1.13 3.00 0.52 -5.08 116.66 115.51 1n2d n ARG 148 Ca 0.04 0.70 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1n2d n ARG 148 Cb 0.44 -2.73 0.00 0.00 0.00 0.00 0.00 32.46 30.18 1n2d n ARG 148 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57