#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s h ILE 20 N 0.00 0.00 -1.90 3.84 2.10 -1.99 -3.44 117.51 116.12 3i1s h ILE 20 Ca 0.00 -0.46 -0.00 0.00 1.08 0.00 0.00 64.86 65.48 3i1s h ILE 20 Cb 0.00 1.38 -0.22 0.00 -1.09 0.00 0.00 36.82 36.89 3i1s h ILE 20 CO 0.00 0.00 0.19 -1.81 -1.08 0.00 0.00 178.15 175.45 3i1s s ASP 21 N -5.29 -0.72 0.21 2.19 1.01 -1.26 -5.02 116.67 107.79 3i1s s ASP 21 Ca 0.03 1.31 -0.08 0.00 0.71 0.00 0.00 52.55 54.52 3i1s s ASP 21 Cb 0.09 1.33 0.15 0.00 1.01 0.00 0.00 42.92 45.49 3i1s s ASP 21 CO 0.51 -0.22 1.77 0.10 0.21 0.00 0.00 175.17 177.54 3i1s h TYR 22 N 5.27 1.18 0.00 4.23 -0.00 -1.86 -2.96 116.97 122.84 3i1s h TYR 22 Ca -0.29 -0.09 0.00 0.00 0.00 0.00 0.00 58.73 58.35 3i1s h TYR 22 Cb 1.18 -0.35 0.00 0.00 0.00 0.00 0.00 36.73 37.56 3i1s h TYR 22 CO 0.30 0.90 0.01 1.57 -0.00 0.00 0.00 178.16 180.94 3i1s h LYS 23 N 1.12 0.00 -2.17 0.10 2.10 -1.95 -1.23 116.57 114.54 3i1s h LYS 23 Ca 0.26 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.83 3i1s h LYS 23 Cb 0.23 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 3i1s h LYS 23 CO -0.02 0.00 -0.08 -3.47 -2.00 0.00 0.00 179.45 173.88 3i1s n ASP 24 N -2.93 3.79 0.01 7.07 4.64 -1.12 -4.58 116.55 123.43 3i1s n ASP 24 Ca -0.03 -2.12 0.00 0.00 -1.38 0.00 0.00 54.79 51.26 3i1s n ASP 24 Cb 0.07 -0.93 0.01 0.00 -1.04 0.00 0.00 41.12 39.23 3i1s n ASP 24 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 3i1s n ILE 25 N 2.23 1.03 0.14 5.18 -5.35 -0.47 -1.00 119.36 121.12 3i1s n ILE 25 Ca 0.18 0.51 0.03 0.00 -0.27 0.00 0.00 62.75 63.20 3i1s n ILE 25 Cb 0.54 -1.51 0.04 0.00 -1.74 0.00 0.00 39.64 36.96 3i1s n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1s h ALA 26 N 1.05 0.68 0.00 -1.28 0.00 -1.86 -2.76 119.26 115.09 3i1s h ALA 26 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 54.91 54.09 3i1s h ALA 26 Cb 0.49 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3i1s h ALA 26 CO 0.00 0.62 -2.34 0.25 0.00 0.00 0.00 179.25 177.78 3i1s n THR 27 N -3.24 1.41 0.08 0.00 -2.24 -0.17 -4.29 114.28 105.83 3i1s n THR 27 Ca 0.02 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3i1s n THR 27 Cb 0.73 -0.54 0.32 0.00 -2.10 0.00 0.00 70.33 68.74 3i1s n THR 27 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i1s h LEU 28 N 0.00 0.31 0.00 3.22 4.07 -1.63 -1.67 115.31 119.61 3i1s h LEU 28 Ca -0.53 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.35 3i1s h LEU 28 Cb 2.22 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.88 3i1s h LEU 28 CO 0.03 0.50 0.00 2.29 -1.08 0.00 0.00 178.44 180.18 3i1s n LYS 29 N -4.21 0.28 0.08 1.13 -0.00 -1.04 -1.67 118.16 112.73 3i1s n LYS 29 Ca -0.00 0.11 -0.16 0.00 -0.00 0.00 0.00 58.31 58.26 3i1s n LYS 29 Cb 0.32 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.71 3i1s n LYS 29 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 3i1s h ASN 30 N 0.00 0.39 -0.80 -5.58 -1.24 -1.51 -3.36 115.58 103.48 3i1s h ASN 30 Ca 0.00 -0.48 -0.30 0.00 0.71 0.00 0.00 56.30 56.23 3i1s h ASN 30 Cb 0.10 -0.13 -0.18 0.00 0.73 0.00 0.00 38.32 38.84 3i1s h ASN 30 CO 0.00 1.39 0.37 -1.22 -1.29 0.00 0.00 177.43 176.68 3i1s n TYR 31 N -3.48 2.60 -4.78 0.67 4.02 -0.67 -4.91 117.16 110.60 3i1s n TYR 31 Ca -0.12 -1.40 -0.25 0.00 -0.01 0.00 0.00 57.90 56.12 3i1s n TYR 31 Cb 1.03 -0.76 -0.16 0.00 -0.02 0.00 0.00 39.34 39.43 3i1s n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3i1s s ILE 32 N -3.09 1.34 0.85 -0.72 -5.25 -1.24 -2.59 121.20 110.50 3i1s s ILE 32 Ca 0.55 -0.67 -0.12 0.00 -0.99 0.00 0.00 60.65 59.43 3i1s s ILE 32 Cb 0.45 -1.15 0.11 0.00 2.95 0.00 0.00 42.46 44.82 3i1s s ILE 32 CO 0.12 0.39 1.17 0.42 -1.79 0.00 0.00 174.94 175.25 3i1s s THR 33 N 0.02 2.17 -1.67 8.37 -4.23 0.27 -4.83 115.64 115.74 3i1s s THR 33 Ca -0.03 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 3i1s s THR 33 Cb -0.11 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.45 3i1s s THR 33 CO 0.02 -0.06 0.50 -0.62 -0.54 0.00 0.00 174.62 173.91 3i1s n GLU 34 N -3.76 0.59 0.00 3.99 -0.58 -1.26 -0.79 120.64 118.83 3i1s n GLU 34 Ca 0.12 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.91 3i1s n GLU 34 Cb 0.51 -1.10 -0.04 0.00 -0.57 0.00 0.00 31.44 30.24 3i1s n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3i1s n SER 35 N -0.27 0.53 0.00 1.62 3.41 -1.26 -4.99 113.62 112.65 3i1s n SER 35 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3i1s n SER 35 Cb 0.05 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3i1s n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1s n GLY 36 N 1.16 2.63 3.79 5.00 0.00 0.03 -3.74 105.19 114.07 3i1s n GLY 36 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3i1s n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1s s LYS 37 N -0.48 2.42 -0.47 1.61 1.02 -1.26 -4.63 119.74 117.95 3i1s s LYS 37 Ca 0.00 0.93 -0.19 0.00 0.02 0.00 0.00 55.97 56.72 3i1s s LYS 37 Cb 0.00 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3i1s s LYS 37 CO 0.00 -1.46 0.60 0.42 -0.92 0.00 0.00 175.35 173.99 3i1s s ILE 38 N -3.02 4.90 0.50 2.17 1.01 -1.26 0.96 121.20 126.45 3i1s s ILE 38 Ca 0.60 -0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 3i1s s ILE 38 Cb -0.15 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 3i1s s ILE 38 CO 0.55 -0.68 1.30 -0.69 0.00 0.00 0.00 174.94 175.42 3i1s s VAL 39 N 2.59 2.44 0.94 2.92 1.01 -1.07 -4.93 120.40 124.31 3i1s s VAL 39 Ca 0.17 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 3i1s s VAL 39 Cb -0.17 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.09 3i1s s VAL 39 CO 0.14 0.01 0.56 -2.65 0.00 0.00 0.00 175.10 173.16 3i1s n PRO 40 N -0.68 -0.32 0.19 2.72 -0.02 -1.26 -4.89 135.00 130.74 3i1s n PRO 40 Ca 0.08 -0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.59 3i1s n PRO 40 Cb 0.45 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.22 3i1s n PRO 40 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i1s h SER 41 N -1.62 0.00 0.35 2.55 4.64 -1.92 -3.12 113.55 114.43 3i1s h SER 41 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3i1s h SER 41 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3i1s h SER 41 CO 0.36 0.30 -0.17 0.08 -0.87 0.00 0.00 176.83 176.52 3i1s h ARG 42 N 0.00 -0.46 0.07 4.77 0.11 -1.91 0.39 114.38 117.34 3i1s h ARG 42 Ca -0.00 0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 3i1s h ARG 42 Cb 1.03 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 3i1s h ARG 42 CO 0.04 -0.17 -0.09 0.82 0.10 0.00 0.00 179.97 180.67 3i1s h ILE 43 N -0.74 0.00 -0.65 0.08 1.08 -1.94 -2.54 117.51 112.79 3i1s h ILE 43 Ca -0.05 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.59 3i1s h ILE 43 Cb 0.50 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3i1s h ILE 43 CO 0.08 0.00 0.46 0.71 -0.69 0.00 0.00 178.15 178.71 3i1s h THR 44 N -0.17 0.72 -0.29 -0.27 1.35 -1.63 -3.45 112.91 109.16 3i1s h THR 44 Ca -0.01 -0.04 -0.06 0.00 -0.55 0.00 0.00 66.41 65.76 3i1s h THR 44 Cb 0.15 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 3i1s h THR 44 CO -0.03 0.02 -0.07 0.61 -0.25 0.00 0.00 175.52 175.81 3i1s n GLY 45 N -1.62 0.42 3.69 5.82 0.00 0.13 -5.01 105.19 108.61 3i1s n GLY 45 Ca 0.12 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3i1s n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1s s THR 46 N -2.13 4.80 0.97 2.61 -1.32 -0.57 -5.00 115.64 115.00 3i1s s THR 46 Ca 0.00 2.05 -0.14 0.00 -1.21 0.00 0.00 61.69 62.39 3i1s s THR 46 Cb 0.00 -4.31 -0.02 0.00 -1.51 0.00 0.00 72.50 66.65 3i1s s THR 46 CO 0.00 0.04 0.01 -2.11 -2.21 0.00 0.00 174.62 170.35 3i1s n ARG 47 N 4.74 -0.22 0.11 7.08 1.85 -1.26 -4.74 116.66 124.23 3i1s n ARG 47 Ca 0.08 -0.03 -0.11 0.00 -1.00 0.00 0.00 57.85 56.79 3i1s n ARG 47 Cb 0.49 -1.58 -0.07 0.00 -1.05 0.00 0.00 32.46 30.25 3i1s n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1s h ALA 48 N -1.39 -0.35 -0.82 2.89 0.00 -1.96 -2.76 119.26 114.87 3i1s h ALA 48 Ca -0.44 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.45 3i1s h ALA 48 Cb 1.29 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.06 3i1s h ALA 48 CO 0.31 -0.42 -0.19 -0.22 0.00 0.00 0.00 179.25 178.73 3i1s h LYS 49 N -0.90 0.01 0.01 0.00 3.11 -2.02 -1.45 116.57 115.32 3i1s h LYS 49 Ca -0.04 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 3i1s h LYS 49 Cb 0.51 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 3i1s h LYS 49 CO 0.06 0.00 -0.01 1.88 -2.81 0.00 0.00 179.45 178.58 3i1s h TYR 50 N 0.01 -0.01 -1.23 1.91 0.99 -1.94 -3.08 116.97 113.61 3i1s h TYR 50 Ca 0.40 -0.00 0.39 0.00 2.00 0.00 0.00 58.73 61.52 3i1s h TYR 50 Cb 0.63 0.00 -0.12 0.00 1.00 0.00 0.00 36.73 38.24 3i1s h TYR 50 CO -0.63 0.23 0.79 0.37 -0.00 0.00 0.00 178.16 178.91 3i1s h GLN 51 N -0.25 0.15 -0.04 4.88 5.75 -0.95 0.30 115.11 124.94 3i1s h GLN 51 Ca -0.00 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3i1s h GLN 51 Cb 0.25 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 3i1s h GLN 51 CO 0.00 0.10 -0.04 0.00 -2.65 0.00 0.00 178.83 176.25 3i1s h ARG 52 N 0.16 0.10 -0.74 1.69 3.08 -1.42 -1.08 114.38 116.16 3i1s h ARG 52 Ca 0.77 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.92 3i1s h ARG 52 Cb 2.29 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 32.23 3i1s h ARG 52 CO -0.41 0.55 0.23 1.96 -1.07 0.00 0.00 179.97 181.23 3i1s h GLN 53 N -0.35 0.33 0.31 0.04 4.20 -1.07 0.12 115.11 118.70 3i1s h GLN 53 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3i1s h GLN 53 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3i1s h GLN 53 CO 0.01 0.22 -0.30 1.25 -0.67 0.00 0.00 178.83 179.34 3i1s h LEU 54 N 0.34 -0.83 -1.45 1.46 5.85 -0.70 -0.17 115.31 119.82 3i1s h LEU 54 Ca 0.41 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.34 3i1s h LEU 54 Cb 0.67 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3i1s h LEU 54 CO -0.46 -0.40 0.53 0.00 -0.34 0.00 0.00 178.44 177.77 3i1s h ALA 55 N -1.26 1.98 -0.06 1.25 0.00 -1.01 0.46 119.26 120.61 3i1s h ALA 55 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i1s h ALA 55 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i1s h ALA 55 CO -0.03 -0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.06 3i1s h ARG 56 N 0.54 0.08 0.00 0.00 2.47 -0.00 -2.04 114.38 115.43 3i1s h ARG 56 Ca 0.40 -0.01 -0.21 0.00 -1.26 0.00 0.00 59.98 58.91 3i1s h ARG 56 Cb 0.77 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.04 3i1s h ARG 56 CO -0.15 0.06 -1.28 0.00 0.56 0.00 0.00 179.97 179.16 3i1s n ALA 57 N -2.53 0.78 -0.01 0.04 0.00 0.12 -3.69 120.51 115.22 3i1s n ALA 57 Ca -0.02 -0.58 0.23 0.00 0.00 0.00 0.00 53.44 53.07 3i1s n ALA 57 Cb 0.09 -0.31 0.69 0.00 0.00 0.00 0.00 19.45 19.93 3i1s n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1s h ILE 58 N -1.00 0.31 -0.03 0.00 2.04 -0.44 0.42 117.51 118.81 3i1s h ILE 58 Ca -0.31 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 3i1s h ILE 58 Cb 1.17 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3i1s h ILE 58 CO -0.19 0.00 -0.58 0.11 0.00 0.00 0.00 178.15 177.49 3i1s h LYS 59 N 0.00 0.45 -0.46 2.37 1.57 -1.52 -3.29 116.57 115.69 3i1s h LYS 59 Ca 0.29 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3i1s h LYS 59 Cb 1.54 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.94 3i1s h LYS 59 CO -0.00 1.09 -0.07 0.00 -0.57 0.00 0.00 179.45 179.90 3i1s h ARG 60 N -0.02 0.80 0.00 3.15 3.08 -0.32 -2.20 114.38 118.88 3i1s h ARG 60 Ca -0.06 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3i1s h ARG 60 Cb 1.27 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3i1s h ARG 60 CO 0.12 0.85 0.05 0.00 -1.07 0.00 0.00 179.97 179.92 3i1s h ALA 61 N 1.19 1.05 0.00 0.04 0.00 -1.18 -1.39 119.26 118.96 3i1s h ALA 61 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 3i1s h ALA 61 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3i1s h ALA 61 CO 0.03 -0.05 -1.62 0.00 0.00 0.00 0.00 179.25 177.61 3i1s h ARG 62 N 0.00 0.00 0.00 0.00 3.08 -1.46 0.24 114.38 116.24 3i1s h ARG 62 Ca 0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3i1s h ARG 62 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3i1s h ARG 62 CO 0.00 0.56 -0.50 1.88 -1.07 0.00 0.00 179.97 180.84 3i1s h TYR 63 N 0.00 0.00 -0.14 3.04 -1.99 -1.22 -2.52 116.97 114.14 3i1s h TYR 63 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3i1s h TYR 63 Cb 1.98 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.71 3i1s h TYR 63 CO 0.00 0.50 0.00 1.28 -0.00 0.00 0.00 178.16 179.94 3i1s n LEU 64 N -3.82 2.22 0.00 3.88 4.77 -0.87 -4.93 117.00 118.24 3i1s n LEU 64 Ca -0.01 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3i1s n LEU 64 Cb 0.54 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3i1s n LEU 64 CO 0.40 0.43 0.00 -0.24 -1.33 0.00 0.00 177.39 176.65 3i1s n SER 65 N 0.70 -1.48 0.17 -1.43 2.88 -0.92 -4.84 113.62 108.69 3i1s n SER 65 Ca 0.17 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.57 3i1s n SER 65 Cb 0.44 -1.58 -0.07 0.00 -0.75 0.00 0.00 64.21 62.25 3i1s n SER 65 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3i1s h LEU 66 N 0.00 -0.55 -9.69 2.46 3.38 -0.91 -3.43 115.31 106.58 3i1s h LEU 66 Ca 0.00 0.05 -0.64 0.00 0.09 0.00 0.00 57.88 57.38 3i1s h LEU 66 Cb 0.17 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3i1s h LEU 66 CO 0.00 -0.31 -0.36 -0.76 0.09 0.00 0.00 178.44 177.10 3i1s s LEU 67 N -10.21 4.41 0.16 1.67 1.43 0.02 -5.00 118.68 111.17 3i1s s LEU 67 Ca -0.15 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3i1s s LEU 67 Cb 0.06 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 3i1s s LEU 67 CO 0.65 0.34 1.26 -2.16 0.23 0.00 0.00 176.35 176.67 3i1s s PRO 68 N -1.23 4.42 0.00 1.29 0.04 -1.26 -4.25 135.00 134.01 3i1s s PRO 68 Ca 0.21 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3i1s s PRO 68 Cb -0.14 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3i1s s PRO 68 CO 0.10 -0.23 0.00 0.66 0.04 0.00 0.00 177.00 177.58 3i1s n TYR 69 N 3.03 0.00 0.00 0.56 4.02 -1.26 -4.83 117.16 118.68 3i1s n TYR 69 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3i1s n TYR 69 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 3i1s n TYR 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3i1s n THR 70 N 0.00 0.00 0.01 -0.72 5.66 -1.26 -4.47 114.28 113.50 3i1s n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1s n THR 70 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i1s n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3i1s n ASP 71 N 0.00 -0.04 -0.29 1.09 4.64 -1.25 -4.22 116.55 116.48 3i1s n ASP 71 Ca 0.00 0.02 0.10 0.00 -1.38 0.00 0.00 54.79 53.53 3i1s n ASP 71 Cb 0.00 0.16 0.26 0.00 -1.04 0.00 0.00 41.12 40.50 3i1s n ASP 71 CO 0.00 0.00 0.00 0.08 -0.82 0.00 0.00 177.20 176.46 3i1s h ARG 72 N 0.00 0.43 -0.01 -0.67 -0.00 -1.97 -3.51 114.38 108.65 3i1s h ARG 72 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 3i1s h ARG 72 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 29.87 3i1s h ARG 72 CO 0.00 0.28 0.00 0.72 -0.00 0.00 0.00 179.97 180.97