#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poi n PHE 23 N 0.00 0.00 0.22 4.31 0.99 -1.26 -2.88 117.46 118.84 2poi n PHE 23 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 2poi n PHE 23 Cb 0.00 0.00 0.50 0.00 -1.00 0.00 0.00 39.48 38.98 2poi n PHE 23 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2poi h VAL 24 N 0.00 1.07 -3.24 -4.37 2.07 -2.00 -3.40 116.25 106.37 2poi h VAL 24 Ca 0.00 -0.80 -0.58 0.00 0.82 0.00 0.00 66.70 66.15 2poi h VAL 24 Cb 0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2poi h VAL 24 CO 0.00 0.22 0.52 -0.70 0.02 0.00 0.00 177.57 177.64 2poi s GLU 25 N -4.43 4.29 0.28 1.57 2.56 -1.14 -4.95 118.70 116.89 2poi s GLU 25 Ca -0.03 1.14 0.01 0.00 0.00 0.00 0.00 54.97 56.09 2poi s GLU 25 Cb 0.15 -3.60 0.55 0.00 2.00 0.00 0.00 34.13 33.23 2poi s GLU 25 CO 0.68 -0.43 1.84 1.49 -0.56 0.00 0.00 175.26 178.29 2poi h GLU 26 N 7.38 0.98 -0.78 4.30 4.81 -1.90 -1.91 114.58 127.46 2poi h GLU 26 Ca -0.26 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2poi h GLU 26 Cb 1.11 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 2poi h GLU 26 CO 0.88 0.65 0.42 0.35 -0.73 0.00 0.00 179.01 180.58 2poi h PHE 27 N 1.01 1.06 0.00 0.92 3.57 -1.94 0.72 116.94 122.28 2poi h PHE 27 Ca 0.49 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.90 2poi h PHE 27 Cb 0.46 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2poi h PHE 27 CO -0.00 0.74 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.59 2poi h ASN 28 N 1.09 0.00 -0.11 0.41 2.35 -1.64 -1.45 115.58 116.22 2poi h ASN 28 Ca 0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.92 2poi h ASN 28 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2poi h ASN 28 CO -0.04 0.32 -0.34 0.03 -1.65 0.00 0.00 177.43 175.74 2poi h ARG 29 N 0.00 0.43 -0.73 0.81 3.08 -1.03 -3.19 114.38 113.74 2poi h ARG 29 Ca -0.00 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 59.80 2poi h ARG 29 Cb 0.57 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2poi h ARG 29 CO 0.04 0.93 0.48 1.25 -1.07 0.00 0.00 179.97 181.61 2poi h LEU 30 N 0.00 0.66 -2.41 3.04 5.85 -0.40 -1.65 115.31 120.40 2poi h LEU 30 Ca -0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2poi h LEU 30 Cb 0.97 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2poi h LEU 30 CO 0.07 0.42 -0.00 0.11 -0.34 0.00 0.00 178.44 178.70 2poi h LYS 31 N 0.75 0.00 0.00 1.25 1.57 -1.27 -1.86 116.57 117.01 2poi h LYS 31 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2poi h LYS 31 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2poi h LYS 31 CO -0.11 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.02 2poi n THR 32 N -3.09 0.23 0.50 -0.16 -2.24 -0.62 -3.79 114.28 105.11 2poi n THR 32 Ca -0.02 0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2poi n THR 32 Cb 0.16 -0.63 0.13 0.00 -2.10 0.00 0.00 70.33 67.89 2poi n THR 32 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2poi n PHE 33 N -1.37 0.64 -2.01 4.78 3.01 -0.70 -4.33 117.46 117.49 2poi n PHE 33 Ca 0.10 -0.23 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 2poi n PHE 33 Cb 0.24 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 2poi n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2poi s ALA 34 N -1.60 3.55 -0.52 4.37 0.00 -1.25 -1.88 121.76 124.43 2poi s ALA 34 Ca 0.18 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2poi s ALA 34 Cb 0.13 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2poi s ALA 34 CO 0.06 -0.78 0.00 0.09 0.00 0.00 0.00 175.76 175.14 2poi n ASN 35 N 1.12 -4.21 -4.74 0.00 5.03 -1.26 -4.98 115.26 106.22 2poi n ASN 35 Ca 0.02 0.12 -0.41 0.00 0.87 0.00 0.00 54.58 55.18 2poi n ASN 35 Cb 0.41 -2.14 -0.03 0.00 -1.02 0.00 0.00 39.78 36.99 2poi n ASN 35 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2poi s PHE 36 N -1.97 3.44 -0.19 3.10 5.36 -0.79 -4.91 117.98 122.02 2poi s PHE 36 Ca 0.00 1.42 -0.37 0.00 -0.96 0.00 0.00 56.93 57.02 2poi s PHE 36 Cb 0.00 -3.42 -0.13 0.00 -0.34 0.00 0.00 43.02 39.12 2poi s PHE 36 CO 0.00 -1.18 1.84 -0.35 -1.46 0.00 0.00 175.22 174.07 2poi n PRO 37 N 2.63 1.66 0.27 10.12 -0.04 -1.26 -4.85 135.00 143.52 2poi n PRO 37 Ca 0.05 0.60 0.16 0.00 -0.04 0.00 0.00 63.50 64.26 2poi n PRO 37 Cb 0.45 -2.40 0.70 0.00 -0.04 0.00 0.00 33.50 32.21 2poi n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2poi h SER 38 N 8.56 0.00 -0.00 3.54 4.64 -1.97 -2.63 113.55 125.69 2poi h SER 38 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2poi h SER 38 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2poi h SER 38 CO 0.96 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2poi n GLY 39 N -0.17 -0.98 3.76 -0.77 0.00 -1.26 -4.87 105.19 100.91 2poi n GLY 39 Ca -0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2poi n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2poi s SER 40 N -1.91 7.13 0.42 1.61 0.15 -0.99 -4.93 113.70 115.19 2poi s SER 40 Ca 0.44 2.37 0.30 0.00 0.70 0.00 0.00 55.95 59.76 2poi s SER 40 Cb 0.20 -2.63 1.39 0.00 -1.71 0.00 0.00 66.02 63.27 2poi s SER 40 CO 0.34 -0.25 1.89 1.55 1.20 0.00 0.00 173.24 177.97 2poi h PRO 41 N 3.79 0.00 -6.20 5.44 0.13 -1.89 -3.41 132.00 129.86 2poi h PRO 41 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 2poi h PRO 41 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 2poi h PRO 41 CO 0.67 0.00 -0.80 0.14 -0.23 0.00 0.00 178.00 177.78 2poi s VAL 42 N -3.61 2.77 0.50 1.56 -7.23 -1.26 -4.85 120.40 108.28 2poi s VAL 42 Ca 0.00 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2poi s VAL 42 Cb 0.09 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2poi s VAL 42 CO 0.39 0.58 0.86 -0.94 -0.31 0.00 0.00 175.10 175.68 2poi s SER 43 N -0.50 6.37 0.22 4.85 1.04 -1.26 -4.95 113.70 119.48 2poi s SER 43 Ca 0.06 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.59 2poi s SER 43 Cb -0.12 -2.35 0.25 0.00 0.10 0.00 0.00 66.02 63.90 2poi s SER 43 CO 0.01 -0.60 1.85 0.00 0.98 0.00 0.00 173.24 175.48 2poi h ALA 44 N 0.47 1.02 -0.72 5.32 0.00 -1.96 -1.62 119.26 121.78 2poi h ALA 44 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2poi h ALA 44 Cb 1.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2poi h ALA 44 CO 0.62 0.23 0.35 0.66 0.00 0.00 0.00 179.25 181.11 2poi h SER 45 N 0.89 0.94 -0.50 0.00 4.64 -1.95 -0.07 113.55 117.50 2poi h SER 45 Ca 0.32 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2poi h SER 45 Cb 0.09 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2poi h SER 45 CO -0.14 0.81 0.13 0.74 -0.87 0.00 0.00 176.83 177.49 2poi h THR 46 N 1.00 1.24 -0.39 2.95 2.02 -1.86 -1.06 112.91 116.82 2poi h THR 46 Ca 0.25 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 2poi h THR 46 Cb 0.12 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2poi h THR 46 CO -0.03 0.30 0.04 -0.07 0.37 0.00 0.00 175.52 176.12 2poi h LEU 47 N 0.68 0.64 -0.89 2.58 3.38 -1.04 -2.17 115.31 118.49 2poi h LEU 47 Ca 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2poi h LEU 47 Cb 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2poi h LEU 47 CO -0.00 0.76 0.56 0.00 0.09 0.00 0.00 178.44 179.85 2poi h ALA 48 N 0.90 1.13 -0.24 1.53 0.00 -0.87 -1.77 119.26 119.94 2poi h ALA 48 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2poi h ALA 48 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2poi h ALA 48 CO 0.01 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.93 2poi h ARG 49 N 1.22 0.33 -0.20 0.00 3.08 -0.90 -0.95 114.38 116.96 2poi h ARG 49 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2poi h ARG 49 Cb -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2poi h ARG 49 CO -0.06 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 2poi n ALA 50 N -2.50 2.49 -0.49 0.04 0.00 -0.82 -4.88 120.51 114.36 2poi n ALA 50 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2poi n ALA 50 Cb 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2poi n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2poi n GLY 51 N 0.73 0.75 3.88 0.00 0.00 -0.36 -4.92 105.19 105.28 2poi n GLY 51 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2poi n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2poi s PHE 52 N -2.31 3.46 0.00 1.61 0.40 -0.73 -2.41 117.98 118.00 2poi s PHE 52 Ca 0.00 0.91 0.08 0.00 -0.60 0.00 0.00 56.93 57.32 2poi s PHE 52 Cb 0.00 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 2poi s PHE 52 CO 0.00 0.04 -0.25 -0.51 0.70 0.00 0.00 175.22 175.20 2poi s LEU 53 N -3.59 2.09 -0.08 -0.37 1.43 0.22 -4.19 118.68 114.20 2poi s LEU 53 Ca 0.49 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 2poi s LEU 53 Cb -0.10 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 2poi s LEU 53 CO 0.29 0.28 0.91 -0.47 0.23 0.00 0.00 176.35 177.59 2poi s TYR 54 N -0.66 3.55 -0.60 0.29 6.04 -1.26 -0.54 117.35 124.17 2poi s TYR 54 Ca 0.10 1.50 0.25 0.00 0.04 0.00 0.00 57.07 58.97 2poi s TYR 54 Cb -0.10 -3.07 0.89 0.00 -1.04 0.00 0.00 41.96 38.64 2poi s TYR 54 CO 0.00 -0.11 1.75 1.79 -1.54 0.00 0.00 175.55 177.44 2poi h THR 55 N 4.97 0.00 0.00 4.34 1.35 -1.72 -3.46 112.91 118.39 2poi h THR 55 Ca -0.35 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2poi h THR 55 Cb 1.17 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2poi h THR 55 CO 0.80 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 2poi n GLY 56 N 0.73 0.80 3.33 5.82 0.00 -1.26 -5.05 105.19 109.56 2poi n GLY 56 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2poi n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2poi s GLU 57 N -0.80 3.38 3.78 1.61 -1.05 -1.26 -5.03 118.70 119.33 2poi s GLU 57 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2poi s GLU 57 Cb 0.00 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 2poi s GLU 57 CO 0.00 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.60 2poi n GLY 58 N 4.25 3.13 0.61 -3.83 0.00 -1.26 -1.72 105.19 106.37 2poi n GLY 58 Ca -0.18 0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.99 2poi n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poi n ASP 59 N 4.07 2.11 -4.66 1.61 5.75 -1.26 -4.56 116.55 119.60 2poi n ASP 59 Ca 0.00 -3.66 -0.41 0.00 -0.01 0.00 0.00 54.79 50.71 2poi n ASP 59 Cb 0.00 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.52 2poi n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2poi s THR 60 N -3.14 4.87 0.25 2.12 2.01 -0.70 -4.49 115.64 116.57 2poi s THR 60 Ca 0.38 1.62 0.12 0.00 0.31 0.00 0.00 61.69 64.12 2poi s THR 60 Cb 0.36 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2poi s THR 60 CO -0.03 -0.00 -0.21 0.68 -0.69 0.00 0.00 174.62 174.37 2poi s VAL 61 N 2.34 2.44 -0.01 3.82 -7.23 -0.66 -1.97 120.40 119.14 2poi s VAL 61 Ca 0.37 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2poi s VAL 61 Cb -0.16 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2poi s VAL 61 CO 0.11 -0.31 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.98 2poi s ARG 62 N -3.25 0.11 0.19 4.82 3.52 0.30 -0.59 118.95 124.04 2poi s ARG 62 Ca 0.27 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 2poi s ARG 62 Cb -0.06 -0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.09 2poi s ARG 62 CO 0.13 -0.01 1.28 0.00 -0.81 0.00 0.00 175.30 175.89 2poi h PHE 64 N 5.45 0.00 0.00 0.00 -5.15 -1.82 -1.82 116.94 113.59 2poi h PHE 64 Ca -0.44 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.18 2poi h PHE 64 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.36 2poi h PHE 64 CO 0.62 0.19 -1.09 0.45 -2.00 0.00 0.00 178.31 176.49 2poi n SER 65 N -3.59 1.86 -0.32 -0.68 2.88 -1.26 -4.59 113.62 107.91 2poi n SER 65 Ca -0.01 0.49 0.11 0.00 -1.33 0.00 0.00 58.87 58.13 2poi n SER 65 Cb 0.33 -0.90 0.07 0.00 -0.75 0.00 0.00 64.21 62.96 2poi n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2poi n HIS 67 N -0.52 0.00 -2.42 0.00 -0.00 -0.68 -4.97 115.22 106.63 2poi n HIS 67 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.40 2poi n HIS 67 Cb 0.41 -1.43 -0.04 0.00 -0.00 0.00 0.00 29.99 28.94 2poi n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2poi s ALA 68 N -1.31 3.42 0.02 -1.41 0.00 -1.26 -4.65 121.76 116.56 2poi s ALA 68 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 2poi s ALA 68 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2poi s ALA 68 CO 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 175.76 175.59 2poi s ALA 69 N -0.28 3.76 -0.03 0.00 0.00 -1.26 -1.38 121.76 122.57 2poi s ALA 69 Ca 0.51 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2poi s ALA 69 Cb -0.32 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.14 2poi s ALA 69 CO 0.37 0.74 -0.02 0.08 0.00 0.00 0.00 175.76 176.93 2poi s VAL 70 N -1.32 0.33 0.00 0.00 1.01 0.24 -4.98 120.40 115.69 2poi s VAL 70 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2poi s VAL 70 Cb -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2poi s VAL 70 CO 0.19 0.16 0.00 -0.90 0.00 0.00 0.00 175.10 174.55 2poi n ASP 71 N 3.86 0.17 -3.83 3.32 5.68 -1.26 -1.65 116.55 122.84 2poi n ASP 71 Ca -0.24 -0.54 -0.24 0.00 -0.50 0.00 0.00 54.79 53.27 2poi n ASP 71 Cb 0.52 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.51 2poi n ASP 71 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2poi n ARG 72 N 0.00 -4.13 -2.20 0.11 1.74 -1.26 -4.91 116.66 106.00 2poi n ARG 72 Ca 0.00 0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 57.19 2poi n ARG 72 Cb 0.00 -4.87 -0.02 0.00 -1.02 0.00 0.00 32.46 26.54 2poi n ARG 72 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2poi s TRP 73 N -3.80 3.16 0.12 -1.55 0.52 -1.26 -5.03 118.94 111.10 2poi s TRP 73 Ca 0.03 1.49 0.03 0.00 0.02 0.00 0.00 56.10 57.66 2poi s TRP 73 Cb -0.01 -3.58 -0.04 0.00 -1.15 0.00 0.00 33.47 28.69 2poi s TRP 73 CO 0.85 -1.55 -0.08 -0.65 0.02 0.00 0.00 176.95 175.54 2poi s GLN 74 N -1.76 0.92 0.18 4.98 -0.21 -1.26 -4.73 119.66 117.78 2poi s GLN 74 Ca 0.49 -1.36 -0.33 0.00 0.02 0.00 0.00 55.36 54.18 2poi s GLN 74 Cb -0.37 -0.41 -0.15 0.00 1.00 0.00 0.00 33.01 33.08 2poi s GLN 74 CO 0.49 0.03 1.28 0.98 -2.12 0.00 0.00 175.29 175.96 2poi n TYR 75 N -0.02 1.65 0.00 0.91 9.36 -1.26 -1.56 117.16 126.23 2poi n TYR 75 Ca -0.12 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.67 2poi n TYR 75 Cb 0.60 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 2poi n TYR 75 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2poi n GLY 76 N 2.21 1.36 3.76 2.98 0.00 -1.26 -5.04 105.19 109.20 2poi n GLY 76 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2poi n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2poi s ASP 77 N -2.74 5.77 -0.21 1.61 1.11 -0.60 -5.01 116.67 116.59 2poi s ASP 77 Ca 0.00 2.65 -0.07 0.00 0.18 0.00 0.00 52.55 55.31 2poi s ASP 77 Cb 0.00 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 2poi s ASP 77 CO 0.00 -1.22 0.06 -0.55 1.18 0.00 0.00 175.17 174.64 2poi s SER 78 N -0.95 5.31 0.17 0.27 0.15 -1.26 -4.96 113.70 112.43 2poi s SER 78 Ca 0.65 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 57.07 2poi s SER 78 Cb -0.37 -1.93 0.06 0.00 -1.71 0.00 0.00 66.02 62.07 2poi s SER 78 CO 0.46 0.07 1.81 0.00 1.20 0.00 0.00 173.24 176.77 2poi h ALA 79 N 7.49 0.58 -0.36 5.45 0.00 -1.95 -0.09 119.26 130.38 2poi h ALA 79 Ca -0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2poi h ALA 79 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2poi h ALA 79 CO 0.63 -0.03 -0.35 0.28 0.00 0.00 0.00 179.25 179.77 2poi h VAL 80 N 0.56 1.28 -0.07 0.00 2.07 -1.91 -2.14 116.25 116.03 2poi h VAL 80 Ca 0.18 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2poi h VAL 80 Cb 0.00 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2poi h VAL 80 CO -0.08 0.50 0.04 1.23 0.02 0.00 0.00 177.57 179.29 2poi h GLY 81 N 0.89 0.09 1.34 2.17 0.00 -1.86 -1.04 103.07 104.65 2poi h GLY 81 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2poi h GLY 81 CO 0.08 0.03 0.12 3.21 0.00 0.00 0.00 176.54 179.98 2poi h ARG 82 N 0.08 0.83 -0.33 4.80 2.47 -1.02 -1.83 114.38 119.38 2poi h ARG 82 Ca 0.03 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2poi h ARG 82 Cb -0.00 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 2poi h ARG 82 CO -0.01 0.75 0.19 1.25 0.56 0.00 0.00 179.97 182.72 2poi h HIS 83 N 0.80 0.44 -0.69 3.04 2.76 -1.09 -1.47 115.15 118.93 2poi h HIS 83 Ca 0.17 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2poi h HIS 83 Cb 0.31 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 2poi h HIS 83 CO 0.02 0.33 0.22 0.00 -1.30 0.00 0.00 177.93 177.20 2poi h ARG 84 N 0.42 1.08 -0.29 5.26 3.08 -0.90 -0.63 114.38 122.39 2poi h ARG 84 Ca 0.12 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2poi h ARG 84 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2poi h ARG 84 CO -0.02 0.93 0.17 -0.22 -1.07 0.00 0.00 179.97 179.75 2poi h LYS 85 N 1.02 0.40 -0.01 0.04 3.64 -1.04 -1.59 116.57 119.03 2poi h LYS 85 Ca 0.22 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 2poi h LYS 85 Cb 0.30 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2poi h LYS 85 CO -0.01 0.33 -0.80 0.28 -2.27 0.00 0.00 179.45 176.99 2poi h VAL 86 N 0.36 1.51 -2.20 2.00 2.07 -1.17 -3.39 116.25 115.43 2poi h VAL 86 Ca 0.10 -2.55 -0.56 0.00 0.82 0.00 0.00 66.70 64.52 2poi h VAL 86 Cb 0.04 2.39 -0.37 0.00 -1.52 0.00 0.00 31.29 31.84 2poi h VAL 86 CO -0.02 0.74 -0.97 -0.24 0.02 0.00 0.00 177.57 177.10 2poi n SER 87 N -3.67 -0.57 0.33 0.57 2.88 -0.25 -5.00 113.62 107.91 2poi n SER 87 Ca -0.02 -2.47 0.21 0.00 -1.33 0.00 0.00 58.87 55.26 2poi n SER 87 Cb 0.76 -0.41 1.12 0.00 -0.75 0.00 0.00 64.21 64.92 2poi n SER 87 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2poi h PRO 88 N 5.29 0.00 -0.33 -1.46 0.13 -1.50 -2.61 132.00 131.52 2poi h PRO 88 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2poi h PRO 88 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2poi h PRO 88 CO 0.37 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.23 2poi n ASN 89 N -3.09 3.72 -4.68 1.44 3.02 -1.26 -4.99 115.26 109.41 2poi n ASN 89 Ca -0.03 -2.63 -0.45 0.00 -0.03 0.00 0.00 54.58 51.44 2poi n ASN 89 Cb 0.14 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2poi n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2poi h ARG 91 N 6.73 0.76 0.09 0.00 3.08 -1.92 -2.37 114.38 120.75 2poi h ARG 91 Ca -0.45 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.38 2poi h ARG 91 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2poi h ARG 91 CO 0.91 0.79 -0.04 0.35 -1.07 0.00 0.00 179.97 180.91 2poi h PHE 92 N 0.70 -0.12 -0.03 3.04 3.57 -1.95 0.25 116.94 122.41 2poi h PHE 92 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2poi h PHE 92 Cb 0.48 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2poi h PHE 92 CO 0.02 0.06 -0.00 0.82 -2.23 0.00 0.00 178.31 176.98 2poi h ILE 93 N -0.27 1.02 -0.06 1.41 1.08 -1.91 -0.76 117.51 118.03 2poi h ILE 93 Ca -0.01 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2poi h ILE 93 Cb 0.23 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2poi h ILE 93 CO 0.02 0.03 0.00 -3.20 -0.69 0.00 0.00 178.15 174.31 2poi n ASN 94 N -4.51 0.53 -0.19 1.72 4.05 -0.90 -4.90 115.26 111.07 2poi n ASN 94 Ca -0.02 -1.58 -0.02 0.00 0.45 0.00 0.00 54.58 53.41 2poi n ASN 94 Cb 0.11 -0.04 -0.01 0.00 1.23 0.00 0.00 39.78 41.07 2poi n ASN 94 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2poi n GLY 95 N 0.87 0.44 0.24 8.20 0.00 -0.29 -4.95 105.19 109.69 2poi n GLY 95 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.31 2poi n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2poi h PHE 96 N 0.00 0.00 -0.49 1.61 3.04 -1.12 -2.75 116.94 117.23 2poi h PHE 96 Ca -0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2poi h PHE 96 Cb 0.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.00 2poi h PHE 96 CO 0.06 0.16 0.00 0.66 -2.02 0.00 0.00 178.31 177.17 2poi n TYR 97 N -4.11 0.65 -1.95 0.41 4.02 -1.26 -4.93 117.16 109.99 2poi n TYR 97 Ca -0.02 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.12 2poi n TYR 97 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 2poi n TYR 97 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2poi s LEU 98 N -1.06 4.36 0.00 7.72 1.43 -1.04 -5.18 118.68 124.91 2poi s LEU 98 Ca 0.34 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 2poi s LEU 98 Cb 0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2poi s LEU 98 CO 0.24 -0.88 0.35 1.21 0.23 0.00 0.00 176.35 177.51