#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soh h PHE 14 N 0.00 0.00 0.00 -1.42 3.57 -2.06 -2.90 116.94 114.13 1soh h PHE 14 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1soh h PHE 14 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1soh h PHE 14 CO 0.00 0.50 -1.32 1.37 -2.23 0.00 0.00 178.31 176.62 1soh h LEU 15 N 0.00 0.00 -0.53 0.59 8.10 -2.05 -3.33 115.31 118.09 1soh h LEU 15 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1soh h LEU 15 Cb 1.29 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.49 1soh h LEU 15 CO 0.06 0.74 -0.72 0.74 -4.11 0.00 0.00 178.44 175.15 1soh h THR 16 N 0.00 1.47 0.21 0.15 2.02 -1.98 -2.40 112.91 112.37 1soh h THR 16 Ca -0.16 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 64.66 1soh h THR 16 Cb 1.70 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1soh h THR 16 CO 0.07 0.68 -0.10 0.06 0.37 0.00 0.00 175.52 176.60 1soh h GLN 17 N 0.07 -0.27 -0.47 6.66 3.07 -1.63 -2.64 115.11 119.91 1soh h GLN 17 Ca -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.72 1soh h GLN 17 Cb 1.28 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.87 1soh h GLN 17 CO 0.10 -0.06 0.18 0.28 0.09 0.00 0.00 178.83 179.42 1soh h VAL 18 N -0.43 1.18 -0.19 1.86 2.07 -1.67 -0.16 116.25 118.91 1soh h VAL 18 Ca -0.03 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1soh h VAL 18 Cb 0.33 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1soh h VAL 18 CO 0.05 0.22 0.23 0.50 0.02 0.00 0.00 177.57 178.58 1soh h LYS 19 N 0.66 0.00 0.00 1.57 3.64 -1.10 1.25 116.57 122.59 1soh h LYS 19 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1soh h LYS 19 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1soh h LYS 19 CO -0.02 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.09 1soh h GLU 20 N 0.00 0.00 0.00 1.90 5.08 -0.68 -2.78 114.58 118.10 1soh h GLU 20 Ca 0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 1soh h GLU 20 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1soh h GLU 20 CO -0.00 0.00 -1.68 0.43 -1.00 0.00 0.00 179.01 176.76 1soh n SER 21 N -2.73 1.53 0.31 1.42 7.64 0.29 -3.04 113.62 119.04 1soh n SER 21 Ca 0.04 0.26 0.21 0.00 1.01 0.00 0.00 58.87 60.39 1soh n SER 21 Cb 0.46 -0.61 1.10 0.00 -1.01 0.00 0.00 64.21 64.15 1soh n SER 21 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1soh h LEU 22 N -0.73 0.00 0.00 -3.43 8.10 0.95 0.05 115.31 120.24 1soh h LEU 22 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.64 1soh h LEU 22 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1soh h LEU 22 CO -0.21 0.00 -0.81 -1.20 -4.11 0.00 0.00 178.44 172.11 1soh n SER 23 N -2.92 0.92 0.31 0.17 7.64 -1.05 -4.45 113.62 114.24 1soh n SER 23 Ca -0.03 -0.61 0.21 0.00 1.01 0.00 0.00 58.87 59.45 1soh n SER 23 Cb 0.07 1.13 1.10 0.00 -1.01 0.00 0.00 64.21 65.50 1soh n SER 23 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1soh h SER 24 N 0.00 0.00 0.00 6.43 0.87 -0.89 0.34 113.55 120.30 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1soh h SER 24 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1soh h SER 24 CO 0.00 0.00 -1.29 -1.22 -0.53 0.00 0.00 176.83 173.79 1soh n TYR 25 N -2.96 0.00 0.03 2.24 4.02 -1.24 -3.55 117.16 115.69 1soh n TYR 25 Ca -0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.89 1soh n TYR 25 Cb 0.08 -0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.17 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1soh n TRP 26 N -1.72 0.78 0.14 -0.72 -0.00 0.44 -3.33 117.44 113.03 1soh n TRP 26 Ca 0.02 0.25 0.09 0.00 -0.00 0.00 0.00 57.50 57.86 1soh n TRP 26 Cb 0.40 -0.99 0.05 0.00 -0.00 0.00 0.00 31.31 30.77 1soh n TRP 26 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1soh h GLU 27 N 0.00 0.00 0.08 5.87 4.39 -0.62 -3.32 114.58 120.97 1soh h GLU 27 Ca -0.15 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 1soh h GLU 27 Cb 1.47 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.13 1soh h GLU 27 CO 0.03 0.11 -0.54 1.03 -1.16 0.00 0.00 179.01 178.48 1soh h SER 28 N 0.00 0.33 -0.68 1.42 0.87 -1.67 -2.17 113.55 111.65 1soh h SER 28 Ca -0.02 -0.93 0.20 0.00 -1.23 0.00 0.00 61.79 59.81 1soh h SER 28 Cb 1.13 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 1soh h SER 28 CO 0.01 1.24 0.55 0.00 -0.53 0.00 0.00 176.83 178.10 1soh h ALA 29 N 0.10 2.55 0.00 6.23 0.00 -1.68 0.67 119.26 127.14 1soh h ALA 29 Ca -0.09 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1soh h ALA 29 Cb 1.39 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1soh h ALA 29 CO 0.10 -0.90 -1.45 -0.22 0.00 0.00 0.00 179.25 176.78 1soh h LYS 30 N 0.00 0.00 -0.01 0.00 3.64 -1.65 -3.17 116.57 115.38 1soh h LYS 30 Ca 0.32 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1soh h LYS 30 Cb 1.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1soh h LYS 30 CO -0.00 0.45 -0.46 1.15 -2.27 0.00 0.00 179.45 178.31 1soh h THR 31 N 0.00 1.33 -0.71 1.00 2.02 0.93 -2.37 112.91 115.12 1soh h THR 31 Ca -0.19 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1soh h THR 31 Cb 1.78 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1soh h THR 31 CO 0.07 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.41 1soh n ALA 32 N -2.45 2.41 -0.07 6.16 0.00 -0.10 -4.06 120.51 122.39 1soh n ALA 32 Ca -0.02 -1.32 -0.09 0.00 0.00 0.00 0.00 53.44 52.02 1soh n ALA 32 Cb 0.48 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1soh n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1soh n ALA 33 N 1.56 1.67 0.26 0.00 0.00 -1.02 -4.20 120.51 118.78 1soh n ALA 33 Ca 0.24 -0.74 0.14 0.00 0.00 0.00 0.00 53.44 53.09 1soh n ALA 33 Cb 0.63 0.08 0.41 0.00 0.00 0.00 0.00 19.45 20.56 1soh n ALA 33 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1soh h GLN 34 N 0.00 0.00 0.11 0.00 5.75 -1.62 -1.83 115.11 117.52 1soh h GLN 34 Ca -0.35 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1soh h GLN 34 Cb 1.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.19 1soh h GLN 34 CO -0.03 0.00 -0.05 -0.97 -2.65 0.00 0.00 178.83 175.13 1soh h ASN 35 N 0.00 -0.12 -0.42 -0.69 -0.73 -1.78 -2.84 115.58 108.99 1soh h ASN 35 Ca 0.00 -0.31 -0.04 0.00 1.87 0.00 0.00 56.30 57.82 1soh h ASN 35 Cb 0.76 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.37 1soh h ASN 35 CO 0.00 0.48 0.10 -0.07 -0.37 0.00 0.00 177.43 177.58 1soh h LEU 36 N -0.97 0.64 -1.40 0.34 3.38 -1.73 -2.21 115.31 113.36 1soh h LEU 36 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1soh h LEU 36 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1soh h LEU 36 CO 0.02 0.71 0.00 1.88 0.09 0.00 0.00 178.44 181.14 1soh h TYR 37 N 0.55 0.00 0.00 1.13 -1.99 -1.47 -1.48 116.97 113.71 1soh h TYR 37 Ca 0.13 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.64 1soh h TYR 37 Cb 0.31 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.01 1soh h TYR 37 CO 0.02 0.00 -1.26 1.49 -0.00 0.00 0.00 178.16 178.40 1soh h GLU 38 N 0.00 0.00 -0.28 4.88 4.57 -1.14 0.41 114.58 123.02 1soh h GLU 38 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1soh h GLU 38 Cb 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.69 1soh h GLU 38 CO 0.00 0.63 -0.17 1.17 -1.18 0.00 0.00 179.01 179.46 1soh n LYS 39 N -3.15 1.78 0.00 1.92 3.00 -0.68 -4.16 118.16 116.87 1soh n LYS 39 Ca -0.07 -3.23 0.00 0.00 -0.00 0.00 0.00 58.31 55.01 1soh n LYS 39 Cb 0.94 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1soh n THR 40 N -1.13 0.00 -1.79 3.15 -1.04 -0.64 -4.94 114.28 107.89 1soh n THR 40 Ca 0.30 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.30 1soh n THR 40 Cb 0.97 -0.04 0.15 0.00 -1.82 0.00 0.00 70.33 69.59 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh n TYR 41 N -1.95 0.66 -1.67 -1.42 9.36 -0.70 -5.03 117.16 116.40 1soh n TYR 41 Ca 0.00 -1.61 -0.42 0.00 3.32 0.00 0.00 57.90 59.19 1soh n TYR 41 Cb 0.00 -0.26 0.01 0.00 -0.63 0.00 0.00 39.34 38.45 1soh n TYR 41 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1soh n LEU 42 N -0.90 3.47 -0.73 2.98 -0.00 0.05 -4.79 117.00 117.07 1soh n LEU 42 Ca 0.24 1.12 0.02 0.00 -0.00 0.00 0.00 56.01 57.38 1soh n LEU 42 Cb 0.79 -1.45 0.09 0.00 -0.00 0.00 0.00 43.42 42.85 1soh n LEU 42 CO 0.06 -0.85 0.44 -0.81 -0.00 0.00 0.00 177.39 176.22 1soh n PRO 43 N 0.21 1.84 0.00 1.47 -0.04 -1.26 -3.41 135.00 133.81 1soh n PRO 43 Ca 0.07 -0.74 0.03 0.00 -0.04 0.00 0.00 63.50 62.81 1soh n PRO 43 Cb 0.38 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.29 1soh n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1soh n ALA 44 N 0.13 2.50 0.20 0.55 0.00 -1.26 -4.57 120.51 118.06 1soh n ALA 44 Ca 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.04 1soh n ALA 44 Cb 0.41 -0.18 0.51 0.00 0.00 0.00 0.00 19.45 20.19 1soh n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soh h VAL 45 N 1.00 1.11 0.00 0.00 2.07 -1.94 0.90 116.25 119.38 1soh h VAL 45 Ca 0.00 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1soh h VAL 45 Cb 0.22 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1soh h VAL 45 CO 0.00 0.15 -0.23 -0.78 0.02 0.00 0.00 177.57 176.72 1soh h ASP 46 N 0.06 0.00 -0.11 0.57 1.82 -1.86 1.16 116.42 118.06 1soh h ASP 46 Ca 0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 1soh h ASP 46 Cb 0.24 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1soh h ASP 46 CO 0.02 0.23 -0.31 1.21 -1.61 0.00 0.00 179.24 178.77 1soh n GLU 47 N -3.48 1.67 0.18 0.28 2.13 -0.18 -4.77 120.64 116.46 1soh n GLU 47 Ca -0.00 -3.19 0.00 0.00 0.66 0.00 0.00 57.16 54.62 1soh n GLU 47 Cb 0.40 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1soh n GLU 47 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1soh n LYS 48 N -1.13 0.00 -0.33 5.31 4.81 0.14 -3.68 118.16 123.27 1soh n LYS 48 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1soh n LYS 48 Cb 0.79 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.84 1soh n LYS 48 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1soh n LEU 49 N -3.23 0.42 0.00 3.14 4.77 0.40 -0.99 117.00 121.51 1soh n LEU 49 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1soh n LEU 49 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1soh n LEU 49 CO 0.00 -0.21 0.00 -2.11 -1.33 0.00 0.00 177.39 173.74 1soh n ARG 50 N -2.00 0.00 0.00 3.23 1.85 -1.26 -4.95 116.66 113.52 1soh n ARG 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1soh n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1soh n ARG 50 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1soh n ASP 51 N 0.00 0.00 -0.11 2.89 8.00 -1.00 -5.01 116.55 121.33 1soh n ASP 51 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1soh n ASP 51 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1soh n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1soh n LEU 52 N 0.00 0.32 -0.02 0.64 0.00 -0.16 -4.04 117.00 113.73 1soh n LEU 52 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 56.01 55.83 1soh n LEU 52 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 43.42 43.38 1soh n LEU 52 CO 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 177.39 177.27 1soh n TYR 53 N -0.40 0.00 -3.61 1.96 9.36 -1.24 -4.71 117.16 118.52 1soh n TYR 53 Ca 0.06 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.08 1soh n TYR 53 Cb 0.07 -0.15 0.05 0.00 -0.63 0.00 0.00 39.34 38.68 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1soh n SER 54 N -3.17 -1.47 -1.14 2.98 7.64 -1.26 -0.67 113.62 116.54 1soh n SER 54 Ca -0.04 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 58.94 1soh n SER 54 Cb 0.15 -4.41 -0.06 0.00 -1.01 0.00 0.00 64.21 58.88 1soh n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1soh n LYS 55 N -4.23 -1.56 -0.16 1.43 4.76 -1.26 -4.84 118.16 112.29 1soh n LYS 55 Ca -0.29 1.02 -0.02 0.00 -2.87 0.00 0.00 58.31 56.14 1soh n LYS 55 Cb 0.67 -5.41 0.07 0.00 -1.84 0.00 0.00 35.03 28.53 1soh n LYS 55 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1soh h SER 56 N 0.00 0.05 0.00 4.39 0.02 -1.26 -3.33 113.55 113.42 1soh h SER 56 Ca -0.30 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1soh h SER 56 Cb 1.23 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1soh h SER 56 CO 0.45 0.05 -0.43 0.41 -1.14 0.00 0.00 176.83 176.16 1soh n THR 57 N -5.09 0.00 0.01 -2.27 -1.04 -1.26 -4.87 114.28 99.76 1soh n THR 57 Ca 0.06 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.82 1soh n THR 57 Cb 0.24 0.43 -0.11 0.00 -1.82 0.00 0.00 70.33 69.07 1soh n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh h ALA 58 N 0.07 0.06 0.00 2.41 0.00 -1.89 -1.60 119.26 118.30 1soh h ALA 58 Ca -0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1soh h ALA 58 Cb 1.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1soh h ALA 58 CO 0.00 0.34 -0.31 0.00 0.00 0.00 0.00 179.25 179.29 1soh h ALA 59 N 0.29 1.05 0.00 0.00 0.00 -1.90 -0.68 119.26 118.02 1soh h ALA 59 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1soh h ALA 59 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1soh h ALA 59 CO 0.12 0.38 -0.48 0.52 0.00 0.00 0.00 179.25 179.79 1soh h MET 60 N 0.00 0.00 -1.16 0.00 2.86 -1.88 -3.36 114.93 111.39 1soh h MET 60 Ca -0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 1soh h MET 60 Cb 0.79 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.04 1soh h MET 60 CO 0.04 0.00 -1.03 0.43 1.06 0.00 0.00 176.91 177.41 1soh n SER 61 N -2.88 2.60 0.01 1.22 7.64 -0.61 -4.80 113.62 116.79 1soh n SER 61 Ca 0.02 -3.05 0.11 0.00 1.01 0.00 0.00 58.87 56.96 1soh n SER 61 Cb 0.54 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 1soh n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1soh n THR 62 N -0.22 0.08 -0.19 0.44 -1.04 -0.29 -4.28 114.28 108.77 1soh n THR 62 Ca 0.20 -0.29 0.30 0.00 -2.04 0.00 0.00 64.05 62.21 1soh n THR 62 Cb 0.77 0.31 0.66 0.00 -1.82 0.00 0.00 70.33 70.25 1soh n THR 62 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1soh h TYR 63 N 0.00 0.00 -0.89 -1.42 -1.99 -1.87 0.45 116.97 111.25 1soh h TYR 63 Ca 0.00 0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.99 1soh h TYR 63 Cb 0.79 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.48 1soh h TYR 63 CO 0.00 0.00 0.78 1.15 -0.00 0.00 0.00 178.16 180.09 1soh h THR 64 N 0.00 0.31 0.00 -2.88 2.02 -1.97 1.39 112.91 111.78 1soh h THR 64 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 1soh h THR 64 Cb 2.24 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1soh h THR 64 CO -0.00 0.00 -1.22 0.61 0.37 0.00 0.00 175.52 175.28 1soh n GLY 65 N -1.66 -1.37 0.02 2.16 0.00 0.16 -4.09 105.19 100.40 1soh n GLY 65 Ca 0.19 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1soh n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1soh n ILE 66 N -2.60 0.07 -0.59 -0.61 5.41 0.35 -4.26 119.36 117.12 1soh n ILE 66 Ca -0.01 -0.32 0.47 0.00 1.00 0.00 0.00 62.75 63.89 1soh n ILE 66 Cb 0.57 0.30 0.77 0.00 -0.71 0.00 0.00 39.64 40.56 1soh n ILE 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1soh h PHE 67 N 0.00 0.16 0.00 1.39 0.04 0.12 1.19 116.94 119.83 1soh h PHE 67 Ca 0.00 0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.49 1soh h PHE 67 Cb 0.81 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.87 1soh h PHE 67 CO 0.00 -0.07 -2.27 2.41 -0.60 0.00 0.00 178.31 177.78 1soh n THR 68 N -4.19 1.07 -0.03 -1.55 -1.04 -1.26 -4.12 114.28 103.16 1soh n THR 68 Ca 0.41 -0.76 -0.11 0.00 -2.04 0.00 0.00 64.05 61.55 1soh n THR 68 Cb 1.77 -0.38 0.03 0.00 -1.82 0.00 0.00 70.33 69.94 1soh n THR 68 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1soh h ASP 69 N 0.00 0.73 0.33 8.00 1.82 0.71 0.17 116.42 128.19 1soh h ASP 69 Ca -0.42 -0.38 -0.07 0.00 -0.39 0.00 0.00 57.03 55.76 1soh h ASP 69 Cb 1.96 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.75 1soh h ASP 69 CO 0.02 1.12 -0.33 1.56 -1.61 0.00 0.00 179.24 180.00 1soh h GLN 70 N 0.52 0.00 0.16 0.28 1.08 0.74 -2.06 115.11 115.82 1soh h GLN 70 Ca 0.02 -0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.90 1soh h GLN 70 Cb 1.08 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1soh h GLN 70 CO 0.11 0.33 -1.58 0.28 -0.95 0.00 0.00 178.83 177.02 1soh h VAL 71 N 0.00 0.99 0.00 -0.54 2.07 -1.67 -3.29 116.25 113.81 1soh h VAL 71 Ca -0.00 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1soh h VAL 71 Cb 0.59 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1soh h VAL 71 CO 0.04 0.79 -0.01 0.25 0.02 0.00 0.00 177.57 178.66 1soh h LEU 72 N -0.08 0.00 -0.36 2.57 6.46 -0.57 0.06 115.31 123.39 1soh h LEU 72 Ca -0.32 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.40 1soh h LEU 72 Cb 1.94 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.87 1soh h LEU 72 CO 0.13 0.01 -0.17 0.28 -0.62 0.00 0.00 178.44 178.07 1soh h SER 73 N 0.00 0.00 -0.20 1.25 0.02 -1.48 -3.17 113.55 109.97 1soh h SER 73 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1soh h SER 73 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1soh h SER 73 CO 0.00 0.17 0.14 0.58 -1.14 0.00 0.00 176.83 176.58 1soh h VAL 74 N 0.00 0.95 -0.20 2.27 2.07 -1.04 0.03 116.25 120.34 1soh h VAL 74 Ca -0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1soh h VAL 74 Cb 1.00 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1soh h VAL 74 CO 0.02 0.02 0.28 0.25 0.02 0.00 0.00 177.57 178.16 1soh h LEU 75 N 0.10 0.00 -6.21 2.57 6.46 -1.64 -3.35 115.31 113.23 1soh h LEU 75 Ca 0.09 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.01 1soh h LEU 75 Cb 0.24 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 39.95 1soh h LEU 75 CO -0.01 0.00 0.01 -0.75 -0.62 0.00 0.00 178.44 177.07 1soh s LYS 76 N -4.49 0.36 0.00 1.25 2.36 -0.01 -4.93 119.74 114.28 1soh s LYS 76 Ca -0.04 0.73 0.00 0.00 -2.55 0.00 0.00 55.97 54.11 1soh s LYS 76 Cb 0.14 0.42 0.00 0.00 -1.05 0.00 0.00 37.83 37.34 1soh s LYS 76 CO 0.49 -0.30 0.00 0.41 1.55 0.00 0.00 175.35 177.49 1soh n GLY 77 N 5.33 0.82 2.68 5.54 0.00 -1.22 -4.64 105.19 113.69 1soh n GLY 77 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1soh n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1soh n GLU 78 N -0.88 -2.67 0.00 1.61 2.13 -1.21 -4.95 120.64 114.66 1soh n GLU 78 Ca 0.00 0.23 0.16 0.00 0.66 0.00 0.00 57.16 58.21 1soh n GLU 78 Cb 0.00 -4.79 0.89 0.00 0.27 0.00 0.00 31.44 27.81 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81