#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 -2.08 -3.13 116.94 113.88 1soh h PHE 14 Ca 0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 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 0.45 -1.11 1.37 -2.23 0.00 0.00 178.31 176.79 1soh h LEU 15 N 0.00 0.00 -1.49 0.59 8.10 -2.06 -3.26 115.31 117.19 1soh h LEU 15 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 1soh h LEU 15 Cb 1.16 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.37 1soh h LEU 15 CO 0.06 0.93 -0.20 0.74 -4.11 0.00 0.00 178.44 175.86 1soh h THR 16 N 0.00 0.62 0.08 0.15 2.02 -1.98 -3.01 112.91 110.78 1soh h THR 16 Ca -0.07 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1soh h THR 16 Cb 1.77 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1soh h THR 16 CO 0.11 0.19 -0.04 0.06 0.37 0.00 0.00 175.52 176.21 1soh h GLN 17 N 0.00 -0.11 -0.68 6.66 3.07 -1.59 -2.23 115.11 120.23 1soh h GLN 17 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1soh h GLN 17 Cb 0.56 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.11 1soh h GLN 17 CO 0.03 -0.07 0.38 0.28 0.09 0.00 0.00 178.83 179.53 1soh h VAL 18 N -0.11 1.20 -0.22 1.86 2.07 -1.70 0.32 116.25 119.67 1soh h VAL 18 Ca -0.01 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1soh h VAL 18 Cb 0.09 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1soh h VAL 18 CO 0.01 0.22 0.25 0.11 0.02 0.00 0.00 177.57 178.18 1soh h LYS 19 N 0.95 0.00 0.00 1.57 1.79 -1.31 1.42 116.57 120.99 1soh h LYS 19 Ca 0.24 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1soh h LYS 19 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1soh h LYS 19 CO -0.04 0.00 -0.09 0.93 -1.08 0.00 0.00 179.45 179.17 1soh h GLU 20 N 0.00 0.00 0.00 3.15 4.39 -0.49 -2.99 114.58 118.65 1soh h GLU 20 Ca 0.10 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.50 1soh h GLU 20 Cb 0.60 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1soh h GLU 20 CO -0.00 0.07 -1.93 0.43 -1.16 0.00 0.00 179.01 176.41 1soh n SER 21 N -3.11 1.94 0.34 1.42 7.64 0.31 -2.80 113.62 119.36 1soh n SER 21 Ca 0.04 0.36 0.20 0.00 1.01 0.00 0.00 58.87 60.48 1soh n SER 21 Cb 0.56 -0.82 1.08 0.00 -1.01 0.00 0.00 64.21 64.02 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 -1.00 0.00 0.00 -3.43 8.10 0.13 0.21 115.31 119.31 1soh h LEU 22 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.53 1soh h LEU 22 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.60 1soh h LEU 22 CO -0.28 0.00 -1.59 -0.24 -4.11 0.00 0.00 178.44 172.22 1soh n SER 23 N -3.02 0.66 0.00 0.17 2.88 -1.13 -4.21 113.62 108.98 1soh n SER 23 Ca -0.03 -0.28 0.13 0.00 -1.33 0.00 0.00 58.87 57.36 1soh n SER 23 Cb 0.18 1.62 0.63 0.00 -0.75 0.00 0.00 64.21 65.89 1soh n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1soh n SER 24 N -1.96 0.00 -0.00 -3.46 2.88 0.71 -2.02 113.62 109.77 1soh n SER 24 Ca -0.01 0.04 0.07 0.00 -1.33 0.00 0.00 58.87 57.64 1soh n SER 24 Cb 0.44 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 1soh n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1soh n TYR 25 N -1.33 0.00 -0.02 0.66 9.36 -1.09 -3.62 117.16 121.11 1soh n TYR 25 Ca 0.11 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.21 1soh n TYR 25 Cb 0.22 -0.15 -0.14 0.00 -0.63 0.00 0.00 39.34 38.65 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1soh n TRP 26 N -1.63 1.01 0.17 2.98 -0.00 -1.08 -2.91 117.44 115.98 1soh n TRP 26 Ca 0.00 0.32 0.10 0.00 -0.00 0.00 0.00 57.50 57.93 1soh n TRP 26 Cb 0.29 -1.17 0.10 0.00 -0.00 0.00 0.00 31.31 30.53 1soh n TRP 26 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1soh h GLU 27 N 0.02 0.00 0.13 5.87 4.81 -1.61 -3.32 114.58 120.48 1soh h GLU 27 Ca -0.33 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.72 1soh h GLU 27 Cb 2.03 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.43 1soh h GLU 27 CO 0.08 0.07 -0.77 1.03 -0.73 0.00 0.00 179.01 178.69 1soh h SER 28 N 0.00 0.45 -1.05 1.04 0.87 -1.68 -2.15 113.55 111.03 1soh h SER 28 Ca -0.01 -0.95 0.29 0.00 -1.23 0.00 0.00 61.79 59.89 1soh h SER 28 Cb 1.07 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.82 1soh h SER 28 CO 0.01 1.37 0.73 0.00 -0.53 0.00 0.00 176.83 178.40 1soh h ALA 29 N 0.08 2.72 0.00 6.23 0.00 -1.62 0.98 119.26 127.65 1soh h ALA 29 Ca -0.13 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1soh h ALA 29 Cb 1.60 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1soh h ALA 29 CO 0.14 -1.06 -1.53 0.87 0.00 0.00 0.00 179.25 177.68 1soh h LYS 30 N 0.14 0.00 0.00 0.00 1.57 -1.65 -2.90 116.57 113.73 1soh h LYS 30 Ca 0.53 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.18 1soh h LYS 30 Cb 1.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 1soh h LYS 30 CO -0.10 0.55 -0.62 1.15 -0.57 0.00 0.00 179.45 179.86 1soh h THR 31 N 0.00 1.33 -0.40 -0.16 2.02 0.94 -3.07 112.91 113.56 1soh h THR 31 Ca -0.22 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1soh h THR 31 Cb 1.91 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.55 1soh h THR 31 CO 0.08 0.61 0.00 0.00 0.37 0.00 0.00 175.52 176.58 1soh n ALA 32 N -2.37 3.15 -0.13 6.16 0.00 0.28 -4.49 120.51 123.11 1soh n ALA 32 Ca -0.01 -1.99 -0.28 0.00 0.00 0.00 0.00 53.44 51.16 1soh n ALA 32 Cb 0.65 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 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 0.11 1.12 0.32 0.00 0.00 -1.10 -3.94 120.51 117.02 1soh n ALA 33 Ca 0.23 -1.00 0.20 0.00 0.00 0.00 0.00 53.44 52.87 1soh n ALA 33 Cb 0.92 0.03 1.05 0.00 0.00 0.00 0.00 19.45 21.45 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 -1.00 0.00 0.25 0.00 4.15 -1.79 0.44 115.11 117.15 1soh h GLN 34 Ca -0.62 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.79 1soh h GLN 34 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1soh h GLN 34 CO -0.38 0.01 -0.12 -0.97 -1.93 0.00 0.00 178.83 175.44 1soh h ASN 35 N 0.00 -0.29 -0.23 -0.69 -0.00 -1.79 -3.10 115.58 109.49 1soh h ASN 35 Ca -0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 56.30 56.21 1soh h ASN 35 Cb 0.13 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 1soh h ASN 35 CO 0.00 0.06 -0.21 -0.07 -0.00 0.00 0.00 177.43 177.21 1soh h LEU 36 N -0.87 0.69 -2.56 0.34 3.38 -1.65 -2.44 115.31 112.19 1soh h LEU 36 Ca -0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1soh h LEU 36 Cb 0.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1soh h LEU 36 CO 0.06 0.89 0.13 0.22 0.09 0.00 0.00 178.44 179.83 1soh h TYR 37 N 0.61 0.00 0.00 1.13 3.20 -0.25 0.89 116.97 122.55 1soh h TYR 37 Ca 0.09 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.73 1soh h TYR 37 Cb 0.68 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1soh h TYR 37 CO 0.03 0.00 -1.51 1.49 -1.64 0.00 0.00 178.16 176.53 1soh h GLU 38 N 0.00 0.00 -0.36 1.82 4.57 -1.36 -1.67 114.58 117.58 1soh h GLU 38 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1soh h GLU 38 Cb 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1soh h GLU 38 CO -0.00 0.43 0.00 1.17 -1.18 0.00 0.00 179.01 179.43 1soh n LYS 39 N -3.00 2.37 0.00 1.92 4.81 0.12 -4.46 118.16 119.92 1soh n LYS 39 Ca -0.12 -2.06 0.00 0.00 -0.87 0.00 0.00 58.31 55.26 1soh n LYS 39 Cb 0.95 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1soh n THR 40 N 0.94 0.00 -2.61 3.15 -1.04 0.29 -5.01 114.28 110.00 1soh n THR 40 Ca 0.15 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1soh n THR 40 Cb 0.47 1.26 -0.00 0.00 -1.82 0.00 0.00 70.33 70.24 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 0.00 -1.86 -2.61 -1.42 9.36 -0.63 -3.43 117.16 116.57 1soh n TYR 41 Ca 0.00 0.04 -0.03 0.00 3.32 0.00 0.00 57.90 61.23 1soh n TYR 41 Cb 0.33 -1.37 -0.03 0.00 -0.63 0.00 0.00 39.34 37.64 1soh n TYR 41 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1soh n LEU 42 N -2.65 -5.48 0.00 2.98 4.77 -1.24 -4.95 117.00 110.43 1soh n LEU 42 Ca -0.02 2.06 0.00 0.00 -0.03 0.00 0.00 56.01 58.02 1soh n LEU 42 Cb 0.52 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 1soh n LEU 42 CO 0.09 -3.42 0.31 -0.81 -1.33 0.00 0.00 177.39 172.22 1soh n PRO 43 N 1.95 0.00 -0.62 3.23 -0.04 -1.22 -4.83 135.00 133.47 1soh n PRO 43 Ca -0.23 0.14 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1soh n PRO 43 Cb 0.35 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.87 2.22 0.16 0.55 0.00 -1.26 -4.94 120.51 116.37 1soh n ALA 44 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1soh n ALA 44 Cb 0.00 -0.12 0.24 0.00 0.00 0.00 0.00 19.45 19.57 1soh n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1soh h VAL 45 N 4.34 1.18 0.00 0.00 3.04 -1.93 1.14 116.25 124.02 1soh h VAL 45 Ca -0.18 -1.85 0.00 0.00 -1.01 0.00 0.00 66.70 63.65 1soh h VAL 45 Cb 1.02 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 1soh h VAL 45 CO -0.09 0.50 -0.20 -0.90 -1.01 0.00 0.00 177.57 175.86 1soh n ASP 46 N -3.66 0.36 0.00 3.17 5.68 -1.26 0.11 116.55 120.95 1soh n ASP 46 Ca -0.01 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 1soh n ASP 46 Cb 0.57 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1soh n ASP 46 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1soh n GLU 47 N -1.71 0.99 0.16 0.11 0.28 -0.98 -4.35 120.64 115.13 1soh n GLU 47 Ca 0.06 -0.82 0.00 0.00 -0.16 0.00 0.00 57.16 56.24 1soh n GLU 47 Cb 0.37 -0.78 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1soh n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1soh n LYS 48 N -0.19 0.00 0.15 3.44 4.76 0.39 -4.38 118.16 122.33 1soh n LYS 48 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1soh n LYS 48 Cb 0.29 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.01 1soh n LYS 48 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1soh h LEU 49 N 0.00 0.00 -1.45 -0.35 5.85 -1.35 -1.83 115.31 116.18 1soh h LEU 49 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1soh h LEU 49 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1soh h LEU 49 CO 0.00 0.00 -0.24 -1.14 -0.34 0.00 0.00 178.44 176.72 1soh n ARG 50 N -2.32 0.00 0.00 1.25 0.63 0.31 -4.83 116.66 111.70 1soh n ARG 50 Ca 0.01 -0.71 0.00 0.00 -0.92 0.00 0.00 57.85 56.23 1soh n ARG 50 Cb 0.20 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 32.64 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1soh n ASP 51 N 0.00 0.00 -1.64 6.15 -0.08 -1.19 -4.79 116.55 115.01 1soh n ASP 51 Ca 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 54.79 52.36 1soh n ASP 51 Cb 0.60 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.41 1soh n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1soh n LEU 52 N 0.00 4.88 0.07 -2.67 7.94 -0.69 -4.50 117.00 122.02 1soh n LEU 52 Ca 0.00 -2.47 0.00 0.00 -1.11 0.00 0.00 56.01 52.43 1soh n LEU 52 Cb 0.34 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.69 1soh n LEU 52 CO 0.00 0.72 -0.08 0.00 -1.11 0.00 0.00 177.39 176.92 1soh n TYR 53 N 0.91 -0.95 -3.82 1.96 4.19 -1.26 -5.03 117.16 113.16 1soh n TYR 53 Ca 0.25 0.17 -0.28 0.00 3.31 0.00 0.00 57.90 61.35 1soh n TYR 53 Cb 0.96 0.30 0.04 0.00 0.49 0.00 0.00 39.34 41.12 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1soh n SER 54 N -3.26 -5.00 -1.21 2.98 7.64 -1.26 -0.37 113.62 113.14 1soh n SER 54 Ca 0.00 -0.72 -0.14 0.00 1.01 0.00 0.00 58.87 59.02 1soh n SER 54 Cb 0.08 -4.20 -0.06 0.00 -1.01 0.00 0.00 64.21 59.01 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 -4.75 -1.52 0.06 1.43 4.01 -1.26 -4.83 118.16 111.31 1soh n LYS 55 Ca 0.01 0.93 -0.11 0.00 -0.51 0.00 0.00 58.31 58.63 1soh n LYS 55 Cb 0.54 -5.24 -0.05 0.00 -0.51 0.00 0.00 35.03 29.78 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1soh h SER 56 N 0.00 -0.40 0.00 4.39 0.87 -1.11 -3.38 113.55 113.93 1soh h SER 56 Ca -0.29 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1soh h SER 56 Cb 1.10 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 63.17 1soh h SER 56 CO 0.43 -0.20 -0.41 0.41 -0.53 0.00 0.00 176.83 176.53 1soh n THR 57 N -5.27 0.00 -0.03 2.23 -1.04 -1.26 -4.88 114.28 104.03 1soh n THR 57 Ca -0.06 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 1soh n THR 57 Cb 0.19 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.13 0.06 0.00 2.41 0.00 -1.88 0.14 119.26 120.11 1soh h ALA 58 Ca -0.07 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1soh h ALA 58 Cb 1.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1soh h ALA 58 CO -0.01 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 179.03 1soh h ALA 59 N 0.35 1.02 0.00 0.00 0.00 -1.91 -0.25 119.26 118.47 1soh h ALA 59 Ca -0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1soh h ALA 59 Cb 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1soh h ALA 59 CO 0.04 0.32 -1.03 1.98 0.00 0.00 0.00 179.25 180.55 1soh h MET 60 N 0.00 0.00 -1.08 0.00 4.05 -1.89 -3.37 114.93 112.64 1soh h MET 60 Ca -0.00 0.00 -0.48 0.00 -0.28 0.00 0.00 59.70 58.94 1soh h MET 60 Cb 0.78 0.00 -0.41 0.00 -0.80 0.00 0.00 31.60 31.16 1soh h MET 60 CO 0.03 0.20 -0.92 0.45 0.23 0.00 0.00 176.91 176.91 1soh n SER 61 N -2.88 3.55 0.05 1.39 2.88 0.47 -4.76 113.62 114.32 1soh n SER 61 Ca -0.04 -3.26 0.11 0.00 -1.33 0.00 0.00 58.87 54.36 1soh n SER 61 Cb 0.70 -0.45 0.04 0.00 -0.75 0.00 0.00 64.21 63.75 1soh n SER 61 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1soh n THR 62 N -0.44 0.33 -0.13 2.46 -1.04 -0.13 -4.08 114.28 111.25 1soh n THR 62 Ca 0.29 -0.36 0.28 0.00 -2.04 0.00 0.00 64.05 62.21 1soh n THR 62 Cb 0.79 -0.04 0.65 0.00 -1.82 0.00 0.00 70.33 69.90 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 -1.85 0.44 116.97 111.26 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 0.83 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.53 1soh h TYR 63 CO 0.00 0.00 0.76 1.15 -0.00 0.00 0.00 178.16 180.07 1soh h THR 64 N 0.00 0.34 0.00 -2.88 2.02 -1.97 1.56 112.91 111.98 1soh h THR 64 Ca 0.40 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.51 1soh h THR 64 Cb 2.08 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1soh h THR 64 CO -0.00 0.00 -0.34 1.23 0.37 0.00 0.00 175.52 176.77 1soh h GLY 65 N 0.00 0.00 0.00 2.16 0.00 -0.44 -3.27 103.07 101.53 1soh h GLY 65 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1soh h GLY 65 CO -0.00 0.00 -1.36 1.39 0.00 0.00 0.00 176.54 176.56 1soh n ILE 66 N -3.27 0.00 -0.60 2.60 2.08 0.45 -4.30 119.36 116.33 1soh n ILE 66 Ca 0.02 -0.28 0.47 0.00 0.56 0.00 0.00 62.75 63.52 1soh n ILE 66 Cb 0.61 0.45 0.77 0.00 -0.75 0.00 0.00 39.64 40.71 1soh n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1soh h PHE 67 N 0.00 0.16 0.00 1.39 3.04 0.11 1.18 116.94 122.81 1soh h PHE 67 Ca 0.00 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 1soh h PHE 67 Cb 0.59 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.03 1soh h PHE 67 CO 0.00 -0.07 -1.98 2.41 -2.02 0.00 0.00 178.31 176.65 1soh n THR 68 N -4.19 0.64 0.02 4.41 -1.04 -1.26 -4.17 114.28 108.68 1soh n THR 68 Ca 0.41 -0.57 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1soh n THR 68 Cb 1.78 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 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 0.66 0.27 8.00 3.58 0.46 0.52 116.42 129.90 1soh h ASP 69 Ca -0.25 -0.41 -0.10 0.00 0.42 0.00 0.00 57.03 56.69 1soh h ASP 69 Cb 1.49 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 1soh h ASP 69 CO 0.01 1.16 -0.40 -0.61 -2.88 0.00 0.00 179.24 176.53 1soh h GLN 70 N 0.40 0.18 0.10 0.28 4.15 0.76 -2.60 115.11 118.37 1soh h GLN 70 Ca -0.03 -0.08 -0.34 0.00 0.77 0.00 0.00 58.65 58.98 1soh h GLN 70 Cb 1.28 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 1soh h GLN 70 CO 0.13 0.55 -1.83 0.28 -1.93 0.00 0.00 178.83 176.03 1soh h VAL 71 N 0.15 0.79 -0.02 2.39 2.07 -1.70 -3.32 116.25 116.61 1soh h VAL 71 Ca 0.01 -2.52 0.01 0.00 0.82 0.00 0.00 66.70 65.02 1soh h VAL 71 Cb 0.78 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1soh h VAL 71 CO 0.06 0.78 0.01 0.25 0.02 0.00 0.00 177.57 178.70 1soh h LEU 72 N 0.06 0.00 -0.32 2.57 5.85 0.08 -0.26 115.31 123.29 1soh h LEU 72 Ca -0.35 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1soh h LEU 72 Cb 2.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 1soh h LEU 72 CO 0.11 0.00 -0.36 0.28 -0.34 0.00 0.00 178.44 178.13 1soh h SER 73 N 0.00 0.00 -0.30 1.25 0.02 -1.59 -3.18 113.55 109.75 1soh h SER 73 Ca 0.01 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1soh h SER 73 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1soh h SER 73 CO -0.00 0.36 0.21 0.58 -1.14 0.00 0.00 176.83 176.83 1soh h VAL 74 N 0.00 0.94 -0.17 2.27 2.07 -1.13 0.35 116.25 120.58 1soh h VAL 74 Ca -0.00 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1soh h VAL 74 Cb 1.15 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1soh h VAL 74 CO 0.05 0.03 0.24 0.25 0.02 0.00 0.00 177.57 178.16 1soh h LEU 75 N 0.18 0.00 -6.16 2.57 6.46 -1.61 -3.36 115.31 113.39 1soh h LEU 75 Ca 0.13 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.09 1soh h LEU 75 Cb 0.30 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 40.01 1soh h LEU 75 CO -0.02 0.00 0.11 -0.75 -0.62 0.00 0.00 178.44 177.16 1soh s LYS 76 N -4.49 0.27 0.00 1.25 2.20 0.10 -4.95 119.74 114.13 1soh s LYS 76 Ca -0.04 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1soh s LYS 76 Cb 0.14 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1soh s LYS 76 CO 0.49 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 1soh n GLY 77 N 5.29 0.85 2.65 5.54 0.00 -1.21 -4.65 105.19 113.67 1soh n GLY 77 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.82 -2.67 0.00 1.61 4.07 -1.18 -4.94 120.64 116.71 1soh n GLU 78 Ca 0.00 0.24 0.10 0.00 -0.06 0.00 0.00 57.16 57.44 1soh n GLU 78 Cb 0.00 -4.79 0.08 0.00 -0.06 0.00 0.00 31.44 26.67 1soh n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46