#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r95 n SER 2 N 0.00 -2.89 -4.59 3.17 2.88 -1.26 -4.80 113.62 106.13 1r95 n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1r95 n SER 2 Cb 0.00 -1.52 -0.11 0.00 -0.75 0.00 0.00 64.21 61.84 1r95 n SER 2 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1r95 s ILE 3 N -1.96 4.93 0.24 2.46 1.01 -1.26 -1.54 121.20 125.08 1r95 s ILE 3 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.78 1r95 s ILE 3 Cb 0.00 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1r95 s ILE 3 CO 0.00 0.37 -0.18 0.42 0.00 0.00 0.00 174.94 175.55 1r95 s THR 4 N 1.08 2.14 -0.00 2.92 -4.23 -0.62 -4.79 115.64 112.14 1r95 s THR 4 Ca 0.06 -2.32 0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1r95 s THR 4 Cb -0.14 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1r95 s THR 4 CO 0.04 -0.49 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.62 1r95 s LEU 5 N -3.41 2.09 0.69 4.79 1.02 -1.26 -1.15 118.68 121.45 1r95 s LEU 5 Ca 0.26 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.80 1r95 s LEU 5 Cb -0.03 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.87 1r95 s LEU 5 CO 0.11 0.30 1.08 -0.94 0.02 0.00 0.00 176.35 176.92 1r95 s SER 6 N -0.79 5.57 0.17 2.29 1.04 -0.38 -4.84 113.70 116.76 1r95 s SER 6 Ca 0.10 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.59 1r95 s SER 6 Cb -0.10 -2.12 0.10 0.00 0.10 0.00 0.00 66.02 64.01 1r95 s SER 6 CO -0.00 -1.27 1.62 0.44 0.98 0.00 0.00 173.24 175.01 1r95 h ASP 7 N -0.60 -0.79 -0.49 7.02 3.32 -1.99 -0.00 116.42 122.87 1r95 h ASP 7 Ca -0.45 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1r95 h ASP 7 Cb 1.24 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 41.17 1r95 h ASP 7 CO 0.63 -0.26 0.28 0.77 -1.72 0.00 0.00 179.24 178.94 1r95 h SER 8 N -0.16 0.63 -0.14 6.45 4.64 -1.93 0.12 113.55 123.16 1r95 h SER 8 Ca 0.20 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1r95 h SER 8 Cb 0.47 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1r95 h SER 8 CO -0.51 0.52 -0.19 0.00 -0.87 0.00 0.00 176.83 175.78 1r95 h ALA 9 N 1.59 0.21 -0.18 5.18 0.00 -1.61 0.44 119.26 124.89 1r95 h ALA 9 Ca 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r95 h ALA 9 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1r95 h ALA 9 CO -0.03 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.44 1r95 h ALA 10 N 0.58 0.21 -0.42 0.00 0.00 -0.68 0.33 119.26 119.28 1r95 h ALA 10 Ca 0.02 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1r95 h ALA 10 Cb 0.74 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1r95 h ALA 10 CO 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 179.25 178.97 1r95 h ALA 11 N 1.10 0.41 -0.69 0.00 0.00 -0.77 0.38 119.26 119.68 1r95 h ALA 11 Ca 0.07 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1r95 h ALA 11 Cb 0.02 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1r95 h ALA 11 CO -0.06 -0.38 0.24 -0.09 0.00 0.00 0.00 179.25 178.97 1r95 h ARG 12 N 0.13 1.05 -0.19 0.00 9.65 -0.21 0.36 114.38 125.18 1r95 h ARG 12 Ca 0.21 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1r95 h ARG 12 Cb 0.29 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1r95 h ARG 12 CO -0.33 0.89 -0.08 0.28 2.80 0.00 0.00 179.97 183.53 1r95 h VAL 13 N 1.00 1.31 -0.77 0.20 2.07 0.21 -0.88 116.25 119.38 1r95 h VAL 13 Ca 0.23 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1r95 h VAL 13 Cb 0.26 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1r95 h VAL 13 CO -0.01 0.34 0.50 0.78 0.02 0.00 0.00 177.57 179.20 1r95 h ASN 14 N 0.08 0.89 -0.05 0.57 2.35 0.10 0.16 115.58 119.69 1r95 h ASN 14 Ca 0.04 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1r95 h ASN 14 Cb 0.56 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1r95 h ASN 14 CO 0.03 0.65 -0.43 0.74 -1.65 0.00 0.00 177.43 176.77 1r95 h THR 15 N 1.04 0.14 -0.39 2.81 2.02 -0.18 0.19 112.91 118.53 1r95 h THR 15 Ca 0.28 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.54 1r95 h THR 15 Cb -0.11 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 1r95 h THR 15 CO -0.06 0.00 -0.07 -0.26 0.37 0.00 0.00 175.52 175.50 1r95 h PHE 16 N -0.55 -0.15 -0.25 3.16 -1.00 -0.44 -1.55 116.94 116.15 1r95 h PHE 16 Ca 0.05 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1r95 h PHE 16 Cb 0.65 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1r95 h PHE 16 CO -0.45 -0.14 0.08 -0.07 -1.61 0.00 0.00 178.31 176.11 1r95 h LEU 17 N 0.03 0.31 0.01 1.54 3.38 -0.30 -2.29 115.31 117.99 1r95 h LEU 17 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1r95 h LEU 17 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1r95 h LEU 17 CO -0.38 0.31 -0.01 0.00 0.09 0.00 0.00 178.44 178.46 1r95 h ALA 18 N 1.74 -0.02 -0.90 1.53 0.00 0.14 -2.64 119.26 119.11 1r95 h ALA 18 Ca 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1r95 h ALA 18 Cb 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1r95 h ALA 18 CO -0.01 -0.20 0.59 -0.91 0.00 0.00 0.00 179.25 178.73 1r95 h ASN 19 N -0.64 0.98 -0.55 0.00 2.35 -1.24 -2.25 115.58 114.23 1r95 h ASN 19 Ca -0.00 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1r95 h ASN 19 Cb 0.62 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1r95 h ASN 19 CO 0.00 0.68 0.11 -0.09 -1.65 0.00 0.00 177.43 176.49 1r95 h ARG 20 N 1.15 0.94 0.00 0.81 2.43 -1.48 -3.47 114.38 114.75 1r95 h ARG 20 Ca 0.35 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1r95 h ARG 20 Cb -0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1r95 h ARG 20 CO -0.10 0.86 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 1r95 n GLY 21 N -0.73 0.78 3.62 2.80 0.00 -0.85 -5.00 105.19 105.81 1r95 n GLY 21 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1r95 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r95 s LYS 22 N -0.72 1.51 0.00 1.61 -2.85 -1.25 -5.05 119.74 112.99 1r95 s LYS 22 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1r95 s LYS 22 Cb 0.00 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 1r95 s LYS 22 CO 0.00 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.18 1r95 n GLY 23 N -0.41 4.43 0.16 0.59 0.00 -1.26 -4.89 105.19 103.81 1r95 n GLY 23 Ca -0.11 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1r95 n GLY 23 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r95 h PHE 24 N 0.00 0.68 0.00 1.61 3.57 -0.76 -3.49 116.94 118.55 1r95 h PHE 24 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1r95 h PHE 24 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1r95 h PHE 24 CO 0.00 1.19 0.00 0.41 -2.23 0.00 0.00 178.31 177.68 1r95 n GLY 25 N 0.96 -0.39 3.40 2.40 0.00 -1.09 -4.47 105.19 105.99 1r95 n GLY 25 Ca -0.07 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1r95 n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r95 s LEU 26 N 0.00 2.72 -0.25 0.99 2.96 0.62 -1.82 118.68 123.90 1r95 s LEU 26 Ca 0.00 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1r95 s LEU 26 Cb 0.00 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1r95 s LEU 26 CO 0.00 0.21 0.11 -0.60 -1.32 0.00 0.00 176.35 174.75 1r95 s ARG 27 N 0.10 3.80 -0.16 1.98 3.52 0.16 0.12 118.95 128.47 1r95 s ARG 27 Ca -0.06 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 1r95 s ARG 27 Cb -0.15 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1r95 s ARG 27 CO 0.05 -0.13 0.25 -0.51 -0.81 0.00 0.00 175.30 174.15 1r95 s LEU 28 N 1.51 4.25 0.00 -0.88 1.02 -0.69 -1.65 118.68 122.23 1r95 s LEU 28 Ca 0.06 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.67 1r95 s LEU 28 Cb -0.15 -2.30 -0.00 0.00 0.02 0.00 0.00 46.19 43.76 1r95 s LEU 28 CO 0.06 0.14 0.05 0.61 0.02 0.00 0.00 176.35 177.23 1r95 n GLY 29 N 3.33 3.71 3.31 -3.19 0.00 0.27 -4.44 105.19 108.18 1r95 n GLY 29 Ca -0.13 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1r95 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r95 s VAL 30 N -2.27 0.02 0.14 1.61 1.01 -1.26 -1.13 120.40 118.52 1r95 s VAL 30 Ca 0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1r95 s VAL 30 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1r95 s VAL 30 CO 0.05 -0.08 0.39 0.00 0.00 0.00 0.00 175.10 175.45 1r95 s ARG 31 N -0.41 1.13 0.14 2.72 1.70 0.75 -4.88 118.95 120.10 1r95 s ARG 31 Ca -0.05 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.07 1r95 s ARG 31 Cb -0.03 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 1r95 s ARG 31 CO 0.03 -0.44 1.12 0.95 -1.08 0.00 0.00 175.30 175.87 1r95 s THR 32 N -3.85 3.97 0.03 4.99 -4.23 -1.26 0.13 115.64 115.43 1r95 s THR 32 Ca 0.07 1.60 0.08 0.00 -1.18 0.00 0.00 61.69 62.26 1r95 s THR 32 Cb 0.02 -4.02 -0.23 0.00 1.34 0.00 0.00 72.50 69.61 1r95 s THR 32 CO -0.08 0.23 0.96 -1.28 -0.54 0.00 0.00 174.62 173.91 1r95 h SER 33 N 5.63 0.05 0.00 3.99 0.87 -1.34 -3.43 113.55 119.31 1r95 h SER 33 Ca -0.43 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1r95 h SER 33 Cb 1.21 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1r95 h SER 33 CO 0.75 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.71 1r95 n GLY 34 N 1.48 3.05 5.00 5.77 0.00 -1.25 -4.97 105.19 114.27 1r95 n GLY 34 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1r95 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r95 n SER 36 N 2.68 1.32 -3.62 0.00 3.41 -1.26 -5.10 113.62 111.04 1r95 n SER 36 Ca 0.00 -3.09 -0.15 0.00 -0.26 0.00 0.00 58.87 55.37 1r95 n SER 36 Cb 0.00 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1r95 n SER 36 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r95 s GLY 37 N -2.58 -0.54 -0.06 5.00 0.00 -1.25 -5.04 107.32 102.86 1r95 s GLY 37 Ca 0.41 1.87 0.06 0.00 0.00 0.00 0.00 44.72 47.05 1r95 s GLY 37 CO -0.09 1.58 -0.23 -0.29 0.00 0.00 0.00 173.10 174.07 1r95 s MET 38 N 0.10 2.42 -0.10 2.90 -2.45 -1.26 -0.99 119.30 119.92 1r95 s MET 38 Ca -0.02 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.60 1r95 s MET 38 Cb -0.04 -2.05 -0.01 0.00 1.25 0.00 0.00 34.83 33.98 1r95 s MET 38 CO 0.03 0.35 -0.20 0.00 1.05 0.00 0.00 175.02 176.24 1r95 s ALA 39 N -0.10 2.36 0.31 4.11 0.00 0.35 -4.69 121.76 124.11 1r95 s ALA 39 Ca -0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 1r95 s ALA 39 Cb -0.14 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 21.96 1r95 s ALA 39 CO 0.04 0.33 1.19 0.71 0.00 0.00 0.00 175.76 178.02 1r95 s TYR 40 N 0.15 3.31 0.03 0.00 1.51 -1.26 -0.18 117.35 120.90 1r95 s TYR 40 Ca -0.11 1.57 0.05 0.00 -1.01 0.00 0.00 57.07 57.57 1r95 s TYR 40 Cb -0.16 -3.46 -0.02 0.00 -0.11 0.00 0.00 41.96 38.21 1r95 s TYR 40 CO 0.06 -1.17 -0.15 0.08 -1.11 0.00 0.00 175.55 173.26 1r95 s VAL 41 N -1.18 1.21 -0.09 0.71 1.01 -0.29 -4.90 120.40 116.87 1r95 s VAL 41 Ca 0.48 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1r95 s VAL 41 Cb -0.35 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1r95 s VAL 41 CO 0.46 0.10 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 1r95 s LEU 42 N -0.99 2.20 0.07 3.92 1.43 -1.26 -0.56 118.68 123.49 1r95 s LEU 42 Ca 0.03 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1r95 s LEU 42 Cb -0.08 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1r95 s LEU 42 CO 0.01 0.19 0.15 -1.61 0.23 0.00 0.00 176.35 175.32 1r95 s GLU 43 N 0.14 0.76 0.51 1.70 2.02 -0.66 -4.98 118.70 118.20 1r95 s GLU 43 Ca -0.12 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 53.78 1r95 s GLU 43 Cb -0.16 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.29 1r95 s GLU 43 CO 0.07 -0.22 1.00 -0.06 0.02 0.00 0.00 175.26 176.06 1r95 s PHE 44 N -3.53 3.30 -0.04 1.61 0.40 -1.26 0.40 117.98 118.86 1r95 s PHE 44 Ca 0.03 1.51 0.03 0.00 -0.60 0.00 0.00 56.93 57.90 1r95 s PHE 44 Cb 0.04 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.70 1r95 s PHE 44 CO -0.09 -0.49 -0.14 0.08 0.70 0.00 0.00 175.22 175.28 1r95 s VAL 45 N -2.46 1.19 -0.16 -0.44 1.01 -0.76 -4.72 120.40 114.07 1r95 s VAL 45 Ca 0.61 -0.57 0.14 0.00 0.00 0.00 0.00 61.98 62.17 1r95 s VAL 45 Cb -0.11 -1.05 -0.20 0.00 0.00 0.00 0.00 36.38 35.02 1r95 s VAL 45 CO 0.28 0.36 0.05 0.47 0.00 0.00 0.00 175.10 176.26 1r95 n ASP 46 N 3.36 1.06 -3.65 3.32 8.00 -1.26 -0.19 116.55 127.18 1r95 n ASP 46 Ca -0.19 -0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 1r95 n ASP 46 Cb 0.53 0.88 -0.17 0.00 -0.02 0.00 0.00 41.12 42.34 1r95 n ASP 46 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1r95 s GLU 47 N -2.39 -0.00 0.21 -1.24 0.41 -1.26 -4.29 118.70 110.14 1r95 s GLU 47 Ca -0.08 0.42 -0.32 0.00 -0.41 0.00 0.00 54.97 54.58 1r95 s GLU 47 Cb 0.05 -0.55 -0.12 0.00 -1.78 0.00 0.00 34.13 31.73 1r95 s GLU 47 CO 0.66 -0.37 1.72 -2.14 -0.49 0.00 0.00 175.26 174.64 1r95 s PRO 48 N 2.23 4.12 0.75 0.39 0.02 -1.26 -5.02 135.00 136.24 1r95 s PRO 48 Ca 0.04 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 1r95 s PRO 48 Cb -0.13 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.37 1r95 s PRO 48 CO -0.05 -0.75 1.09 0.95 -0.33 0.00 0.00 177.00 177.92 1r95 s THR 49 N 1.13 3.29 0.41 0.99 -4.23 -1.26 -4.95 115.64 111.02 1r95 s THR 49 Ca 0.74 0.42 0.37 0.00 -1.18 0.00 0.00 61.69 62.04 1r95 s THR 49 Cb -0.50 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.47 1r95 s THR 49 CO 0.33 -0.55 2.17 -0.65 -0.54 0.00 0.00 174.62 175.38 1r95 h PRO 50 N -0.89 0.00 0.00 3.99 0.11 -2.04 -0.81 132.00 132.36 1r95 h PRO 50 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1r95 h PRO 50 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1r95 h PRO 50 CO 0.61 0.03 -0.00 0.93 -0.21 0.00 0.00 178.00 179.36 1r95 h GLU 51 N 0.00 0.00 -7.23 1.05 3.07 -1.99 -3.47 114.58 106.01 1r95 h GLU 51 Ca -0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1r95 h GLU 51 Cb 0.26 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1r95 h GLU 51 CO 0.00 0.00 0.39 -0.51 -1.40 0.00 0.00 179.01 177.49 1r95 s ASP 52 N -5.85 6.48 -0.08 1.42 1.01 -0.31 -2.12 116.67 117.23 1r95 s ASP 52 Ca 0.03 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.86 1r95 s ASP 52 Cb 0.08 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1r95 s ASP 52 CO 0.58 -0.69 -0.14 -0.63 0.21 0.00 0.00 175.17 174.50 1r95 s ILE 53 N -2.75 3.00 -0.03 0.77 -1.09 0.37 -4.83 121.20 116.65 1r95 s ILE 53 Ca 0.58 -0.72 0.06 0.00 -2.23 0.00 0.00 60.65 58.34 1r95 s ILE 53 Cb -0.10 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1r95 s ILE 53 CO 0.37 0.57 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.75 1r95 s VAL 54 N -0.34 1.66 0.27 2.92 1.01 -1.26 -1.21 120.40 123.45 1r95 s VAL 54 Ca 0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1r95 s VAL 54 Cb -0.13 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1r95 s VAL 54 CO 0.02 0.47 0.44 2.22 0.00 0.00 0.00 175.10 178.25 1r95 n PHE 55 N 2.74 -1.48 -3.79 5.22 1.16 -0.65 -4.93 117.46 115.73 1r95 n PHE 55 Ca -0.16 -1.63 -0.15 0.00 -1.87 0.00 0.00 57.45 53.65 1r95 n PHE 55 Cb 0.53 0.51 -0.16 0.00 -1.61 0.00 0.00 39.48 38.75 1r95 n PHE 55 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1r95 s GLU 56 N -2.41 -0.02 -0.01 3.97 2.12 -1.26 -0.00 118.70 121.08 1r95 s GLU 56 Ca 0.18 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1r95 s GLU 56 Cb -0.02 -0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.15 1r95 s GLU 56 CO 0.13 -0.15 -0.00 0.34 -0.54 0.00 0.00 175.26 175.04 1r95 s ASP 57 N 0.96 0.19 -1.53 -1.70 2.15 -1.08 -4.90 116.67 110.76 1r95 s ASP 57 Ca -0.08 -0.01 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 1r95 s ASP 57 Cb -0.12 -0.06 0.05 0.00 -0.30 0.00 0.00 42.92 42.49 1r95 s ASP 57 CO -0.03 -0.03 0.39 0.29 -0.17 0.00 0.00 175.17 175.62 1r95 n LYS 58 N 3.44 -2.48 -4.03 4.34 4.76 -1.26 -0.75 118.16 122.18 1r95 n LYS 58 Ca -0.18 0.30 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 1r95 n LYS 58 Cb 0.56 -4.40 -0.03 0.00 -1.84 0.00 0.00 35.03 29.33 1r95 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r95 n GLY 59 N -1.98 -0.35 2.92 0.72 0.00 -1.26 -4.99 105.19 100.25 1r95 n GLY 59 Ca -0.21 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1r95 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r95 s VAL 60 N -3.97 0.88 -0.18 1.61 1.01 0.07 -5.04 120.40 114.78 1r95 s VAL 60 Ca 0.11 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1r95 s VAL 60 Cb -0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1r95 s VAL 60 CO 0.92 0.32 1.34 -0.54 0.00 0.00 0.00 175.10 177.14 1r95 s LYS 61 N 1.26 4.14 -0.22 2.72 -0.14 -1.26 -2.65 119.74 123.59 1r95 s LYS 61 Ca -0.04 1.65 -0.09 0.00 -1.36 0.00 0.00 55.97 56.13 1r95 s LYS 61 Cb -0.14 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.14 1r95 s LYS 61 CO -0.03 -0.84 0.11 0.08 -0.76 0.00 0.00 175.35 173.92 1r95 s VAL 62 N 3.84 4.98 -0.19 3.17 1.01 1.00 -0.27 120.40 133.93 1r95 s VAL 62 Ca 0.58 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1r95 s VAL 62 Cb -0.22 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1r95 s VAL 62 CO 0.19 0.38 0.01 -0.69 0.00 0.00 0.00 175.10 174.99 1r95 s VAL 63 N 0.92 4.13 -0.07 2.92 1.01 0.33 -1.64 120.40 128.01 1r95 s VAL 63 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1r95 s VAL 63 Cb -0.13 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1r95 s VAL 63 CO 0.03 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1r95 s VAL 64 N 0.79 0.66 0.27 2.92 1.01 -0.35 -1.70 120.40 124.01 1r95 s VAL 64 Ca 0.01 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1r95 s VAL 64 Cb -0.14 -0.70 -0.14 0.00 0.00 0.00 0.00 36.38 35.40 1r95 s VAL 64 CO 0.02 0.28 1.19 -0.67 0.00 0.00 0.00 175.10 175.91 1r95 n ASP 65 N 4.45 1.96 -0.29 3.32 -0.08 -1.26 -0.48 116.55 124.16 1r95 n ASP 65 Ca -0.18 1.17 -0.04 0.00 -1.51 0.00 0.00 54.79 54.23 1r95 n ASP 65 Cb 0.51 -1.35 0.08 0.00 2.34 0.00 0.00 41.12 42.69 1r95 n ASP 65 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1r95 h GLY 66 N 2.83 1.14 2.00 0.27 0.00 -1.75 -0.80 103.07 106.76 1r95 h GLY 66 Ca -0.43 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1r95 h GLY 66 CO 0.66 0.40 -0.05 0.50 0.00 0.00 0.00 176.54 178.05 1r95 h LYS 67 N 1.08 0.00 -0.01 4.80 1.57 -1.90 -2.85 116.57 119.25 1r95 h LYS 67 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1r95 h LYS 67 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1r95 h LYS 67 CO -0.07 0.05 -0.10 0.43 -0.57 0.00 0.00 179.45 179.19 1r95 n SER 68 N -3.73 1.46 0.18 0.86 7.64 -0.32 -4.38 113.62 115.34 1r95 n SER 68 Ca -0.02 -1.33 0.02 0.00 1.01 0.00 0.00 58.87 58.54 1r95 n SER 68 Cb 0.14 0.06 0.33 0.00 -1.01 0.00 0.00 64.21 63.74 1r95 n SER 68 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1r95 h LEU 69 N 2.14 0.00 -0.76 -3.43 5.85 -1.39 -2.67 115.31 115.06 1r95 h LEU 69 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1r95 h LEU 69 Cb 0.55 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1r95 h LEU 69 CO 0.00 0.41 0.50 0.06 -0.34 0.00 0.00 178.44 179.06 1r95 h GLN 70 N 0.00 0.98 -0.09 1.25 3.07 -1.80 -1.96 115.11 116.56 1r95 h GLN 70 Ca -0.00 -0.06 -0.17 0.00 0.09 0.00 0.00 58.65 58.51 1r95 h GLN 70 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.06 1r95 h GLN 70 CO 0.05 0.65 -0.66 0.74 0.09 0.00 0.00 178.83 179.71 1r95 h PHE 71 N 1.01 0.47 0.00 0.06 -1.00 -1.79 -3.35 116.94 112.34 1r95 h PHE 71 Ca 0.28 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1r95 h PHE 71 Cb -0.10 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1r95 h PHE 71 CO -0.02 0.91 -1.11 1.28 -1.61 0.00 0.00 178.31 177.75 1r95 n LEU 72 N -3.87 0.59 -4.72 1.54 4.77 -1.06 -4.92 117.00 109.34 1r95 n LEU 72 Ca -0.03 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1r95 n LEU 72 Cb 0.66 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1r95 n LEU 72 CO 0.46 0.03 1.35 -0.67 -1.33 0.00 0.00 177.39 177.24 1r95 n ASP 73 N -2.02 3.93 0.00 -1.43 4.64 -0.75 -1.69 116.55 119.22 1r95 n ASP 73 Ca 0.01 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.49 1r95 n ASP 73 Cb 0.45 -1.57 0.00 0.00 -1.04 0.00 0.00 41.12 38.96 1r95 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1r95 n GLY 74 N 3.76 0.72 3.74 0.27 0.00 -0.59 -5.00 105.19 108.10 1r95 n GLY 74 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1r95 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r95 s THR 75 N -2.36 2.73 -0.30 2.61 2.01 -0.68 -4.49 115.64 115.15 1r95 s THR 75 Ca 0.00 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 1r95 s THR 75 Cb 0.00 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1r95 s THR 75 CO 0.00 0.09 0.04 -1.58 -0.69 0.00 0.00 174.62 172.48 1r95 s GLN 76 N -0.28 2.79 -0.25 4.92 -0.44 -0.41 -1.58 119.66 124.39 1r95 s GLN 76 Ca 0.59 -1.05 -0.27 0.00 -2.50 0.00 0.00 55.36 52.14 1r95 s GLN 76 Cb -0.41 -3.28 0.01 0.00 -1.64 0.00 0.00 33.01 27.69 1r95 s GLN 76 CO 0.42 -0.53 0.95 -1.17 0.50 0.00 0.00 175.29 175.47 1r95 s LEU 77 N 1.39 4.07 0.29 3.68 2.96 -0.30 -1.14 118.68 129.62 1r95 s LEU 77 Ca -0.01 1.15 0.11 0.00 -0.22 0.00 0.00 54.13 55.16 1r95 s LEU 77 Cb -0.18 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1r95 s LEU 77 CO 0.00 -0.65 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.67 1r95 s ASP 78 N 1.35 4.01 -0.14 3.68 -1.08 0.44 -1.25 116.67 123.68 1r95 s ASP 78 Ca 0.40 -0.90 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 1r95 s ASP 78 Cb -0.15 -0.52 0.02 0.00 -1.46 0.00 0.00 42.92 40.81 1r95 s ASP 78 CO 0.08 -0.02 -0.14 0.12 0.52 0.00 0.00 175.17 175.73 1r95 s PHE 79 N -2.45 2.11 0.11 -5.34 5.36 -1.26 -0.88 117.98 115.63 1r95 s PHE 79 Ca 0.31 -1.15 0.07 0.00 -0.96 0.00 0.00 56.93 55.21 1r95 s PHE 79 Cb -0.04 -1.55 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 1r95 s PHE 79 CO 0.17 -0.63 -0.18 0.14 -1.46 0.00 0.00 175.22 173.27 1r95 s VAL 80 N 1.40 1.52 -0.27 3.12 -7.23 -0.66 -4.72 120.40 113.56 1r95 s VAL 80 Ca 0.03 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1r95 s VAL 80 Cb -0.13 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.37 1r95 s VAL 80 CO -0.09 -0.20 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.72 1r95 s LYS 81 N -2.12 2.73 -0.26 4.82 2.20 -1.26 -1.44 119.74 124.41 1r95 s LYS 81 Ca 0.06 -1.05 -0.01 0.00 -0.36 0.00 0.00 55.97 54.60 1r95 s LYS 81 Cb -0.09 -3.07 0.08 0.00 -1.51 0.00 0.00 37.83 33.25 1r95 s LYS 81 CO 0.04 -0.47 0.06 -2.00 -0.36 0.00 0.00 175.35 172.62 1r95 s GLU 82 N 1.31 0.78 7.79 4.03 2.56 0.34 -4.99 118.70 130.52 1r95 s GLU 82 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.97 54.12 1r95 s GLU 82 Cb -0.18 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 33.88 1r95 s GLU 82 CO -0.03 -0.83 0.00 0.41 -0.56 0.00 0.00 175.26 174.25 1r95 n GLY 83 N 4.90 3.05 0.62 -1.50 0.00 -1.26 -0.73 105.19 110.27 1r95 n GLY 83 Ca -0.05 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1r95 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r95 n LEU 84 N 0.00 1.85 -4.47 0.99 7.99 -1.26 -4.89 117.00 117.21 1r95 n LEU 84 Ca 0.00 -0.78 -0.33 0.00 -0.01 0.00 0.00 56.01 54.88 1r95 n LEU 84 Cb 0.00 -0.13 -0.13 0.00 -0.11 0.00 0.00 43.42 43.06 1r95 n LEU 84 CO 0.00 0.39 -0.42 0.20 -1.51 0.00 0.00 177.39 176.05 1r95 s ASN 85 N -1.53 4.29 -0.04 -1.43 0.01 0.09 -5.09 114.94 111.25 1r95 s ASN 85 Ca 0.32 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 52.27 1r95 s ASN 85 Cb 0.18 -1.33 0.03 0.00 0.41 0.00 0.00 41.25 40.54 1r95 s ASN 85 CO 0.26 0.26 0.07 -0.70 -1.51 0.00 0.00 177.10 175.49 1r95 s GLU 86 N -0.21 -0.01 0.00 -0.60 2.12 -1.26 0.13 118.70 118.87 1r95 s GLU 86 Ca 0.02 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.63 1r95 s GLU 86 Cb -0.13 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 33.99 1r95 s GLU 86 CO 0.03 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1r95 n GLY 87 N 4.41 -1.52 3.79 -1.50 0.00 -0.52 -5.01 105.19 104.84 1r95 n GLY 87 Ca -0.23 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1r95 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r95 s PHE 88 N -2.08 2.93 -0.07 1.61 0.40 -1.26 -1.65 117.98 117.86 1r95 s PHE 88 Ca 0.00 1.57 -0.03 0.00 -0.60 0.00 0.00 56.93 57.86 1r95 s PHE 88 Cb 0.00 -3.10 0.04 0.00 0.51 0.00 0.00 43.02 40.46 1r95 s PHE 88 CO 0.00 -0.99 0.16 0.21 0.70 0.00 0.00 175.22 175.30 1r95 s LYS 89 N -3.30 0.11 -0.13 0.44 2.20 -0.06 -4.90 119.74 114.11 1r95 s LYS 89 Ca 0.68 0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 56.62 1r95 s LYS 89 Cb -0.18 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 1r95 s LYS 89 CO 0.22 -0.15 0.04 -0.06 -0.36 0.00 0.00 175.35 175.05 1r95 s PHE 90 N 1.07 3.26 0.08 4.03 0.40 -1.26 -0.42 117.98 125.15 1r95 s PHE 90 Ca -0.08 0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.49 1r95 s PHE 90 Cb -0.10 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1r95 s PHE 90 CO -0.06 0.37 -0.18 0.99 0.70 0.00 0.00 175.22 177.04 1r95 s THR 91 N -0.38 1.46 -0.02 0.64 2.01 -0.30 -4.97 115.64 114.08 1r95 s THR 91 Ca 0.09 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1r95 s THR 91 Cb -0.12 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1r95 s THR 91 CO 0.02 -0.10 -0.00 0.21 -0.69 0.00 0.00 174.62 174.06 1r95 s ASN 92 N -1.76 0.36 0.09 3.53 3.84 -1.26 -1.29 114.94 118.44 1r95 s ASN 92 Ca 0.03 -0.02 -0.28 0.00 0.21 0.00 0.00 52.86 52.79 1r95 s ASN 92 Cb -0.10 -0.18 -0.15 0.00 -0.55 0.00 0.00 41.25 40.28 1r95 s ASN 92 CO 0.03 -0.08 1.66 1.55 -2.79 0.00 0.00 177.10 177.47 1r95 h PRO 93 N 7.06 -0.50 -0.88 0.43 0.13 -1.99 -3.23 132.00 133.02 1r95 h PRO 93 Ca -0.41 0.03 0.23 0.00 -0.87 0.00 0.00 66.00 64.99 1r95 h PRO 93 Cb 1.14 0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1r95 h PRO 93 CO 0.48 -0.34 0.28 -0.91 -0.23 0.00 0.00 178.00 177.29 1r95 h ASN 94 N -0.52 0.09 -4.02 1.44 -0.26 -1.96 -3.41 115.58 106.93 1r95 h ASN 94 Ca -0.03 0.18 -0.47 0.00 -0.56 0.00 0.00 56.30 55.42 1r95 h ASN 94 Cb 0.44 0.23 0.08 0.00 -1.06 0.00 0.00 38.32 38.00 1r95 h ASN 94 CO 0.03 -0.11 0.28 -0.69 -1.06 0.00 0.00 177.43 175.87 1r95 s VAL 95 N -5.92 2.72 0.31 2.81 1.01 -1.22 -5.11 120.40 115.00 1r95 s VAL 95 Ca -0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1r95 s VAL 95 Cb 0.26 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1r95 s VAL 95 CO 0.77 -0.20 0.51 -1.59 0.00 0.00 0.00 175.10 174.59 1r95 s LYS 96 N -5.28 1.82 0.00 2.72 -2.85 -1.26 -4.79 119.74 110.10 1r95 s LYS 96 Ca 0.59 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 1r95 s LYS 96 Cb -0.11 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1r95 s LYS 96 CO 0.47 -0.77 0.00 -3.47 0.10 0.00 0.00 175.35 171.68