#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl h LYS 2 N 0.00 0.05 0.00 1.96 1.57 -2.06 -3.45 116.57 114.64 1snl h LYS 2 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1snl h LYS 2 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1snl h LYS 2 CO 0.00 0.90 0.00 0.39 -0.57 0.00 0.00 179.45 180.17 1snl n GLU 3 N -3.54 2.52 0.00 3.15 -0.58 -1.26 -5.06 120.64 115.88 1snl n GLU 3 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1snl n GLU 3 Cb 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.70 1snl n GLU 3 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1snl n VAL 4 N -0.01 0.00 -0.58 2.62 0.24 -1.26 -4.68 118.33 114.66 1snl n VAL 4 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1snl n VAL 4 Cb 0.00 -0.82 -0.06 0.00 -1.47 0.00 0.00 33.84 31.50 1snl n VAL 4 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1snl n TRP 5 N -0.28 0.53 -3.92 6.34 8.01 -1.26 -4.32 117.44 122.55 1snl n TRP 5 Ca 0.00 -1.22 -0.26 0.00 -1.31 0.00 0.00 57.50 54.71 1snl n TRP 5 Cb 0.00 -1.25 -0.01 0.00 -2.01 0.00 0.00 31.31 28.04 1snl n TRP 5 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1snl n GLU 6 N 3.40 -3.85 0.00 -0.99 -0.58 -1.26 -4.45 120.64 112.91 1snl n GLU 6 Ca 0.30 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1snl n GLU 6 Cb 0.32 -4.82 0.00 0.00 -0.57 0.00 0.00 31.44 26.37 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1snl n GLU 7 N -4.39 0.00 -3.64 3.49 4.07 -1.26 -4.61 120.64 114.30 1snl n GLU 7 Ca -0.24 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 56.83 1snl n GLU 7 Cb 0.65 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.98 1snl n GLU 7 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1snl s LEU 8 N 0.00 -1.07 0.65 4.31 2.96 -1.26 -5.08 118.68 119.19 1snl s LEU 8 Ca 0.00 1.53 -0.17 0.00 -0.22 0.00 0.00 54.13 55.27 1snl s LEU 8 Cb 0.00 2.30 -0.06 0.00 0.50 0.00 0.00 46.19 48.94 1snl s LEU 8 CO 0.00 -0.22 0.60 -0.67 -1.32 0.00 0.00 176.35 174.74 1snl n ASP 9 N 5.11 -0.81 0.14 3.68 -0.08 -1.26 -4.91 116.55 118.42 1snl n ASP 9 Ca -0.14 0.68 -0.24 0.00 -1.51 0.00 0.00 54.79 53.58 1snl n ASP 9 Cb 0.52 -1.23 -0.16 0.00 2.34 0.00 0.00 41.12 42.59 1snl n ASP 9 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1snl h GLY 10 N -0.03 0.58 -5.28 0.27 0.00 -2.01 -3.42 103.07 93.19 1snl h GLY 10 Ca -0.46 -1.49 -0.31 0.00 0.00 0.00 0.00 47.33 45.07 1snl h GLY 10 CO 0.45 1.31 -0.66 -0.10 0.00 0.00 0.00 176.54 177.54 1snl n LEU 11 N -3.69 -1.63 -1.38 3.11 7.94 -1.26 -5.12 117.00 114.97 1snl n LEU 11 Ca -0.17 -3.96 0.16 0.00 -1.11 0.00 0.00 56.01 50.93 1snl n LEU 11 Cb 1.10 0.85 -0.08 0.00 0.53 0.00 0.00 43.42 45.82 1snl n LEU 11 CO 0.60 2.10 -0.55 0.47 -1.11 0.00 0.00 177.39 178.90 1snl n ASP 12 N 0.71 -7.46 0.16 1.96 9.92 -1.26 -3.48 116.55 117.10 1snl n ASP 12 Ca 0.12 1.24 0.09 0.00 -0.53 0.00 0.00 54.79 55.71 1snl n ASP 12 Cb 0.66 -4.67 0.49 0.00 -0.64 0.00 0.00 41.12 36.96 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1snl n PRO 13 N -4.22 0.12 -0.13 -0.24 -0.04 -1.26 -2.56 135.00 126.67 1snl n PRO 13 Ca -0.07 0.61 -0.06 0.00 -0.04 0.00 0.00 63.50 63.93 1snl n PRO 13 Cb 0.65 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1snl n PRO 13 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1snl h ASN 14 N 0.00 -0.93 0.00 3.54 4.21 -2.00 -3.42 115.58 116.98 1snl h ASN 14 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1snl h ASN 14 Cb 0.21 0.46 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1snl h ASN 14 CO 0.00 -0.29 0.00 0.54 -1.29 0.00 0.00 177.43 176.39 1snl n ARG 15 N -5.41 0.00 0.00 0.81 1.74 -1.06 -4.51 116.66 108.23 1snl n ARG 15 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1snl n ARG 15 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 1snl n ARG 15 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1snl n PHE 16 N 0.00 0.00 -3.49 -1.55 3.72 -1.26 -5.00 117.46 109.88 1snl n PHE 16 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1snl n PHE 16 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1snl n ASN 17 N 0.00 -6.07 0.24 4.37 4.05 -1.26 -4.81 115.26 111.79 1snl n ASN 17 Ca 0.00 -0.65 0.17 0.00 0.45 0.00 0.00 54.58 54.54 1snl n ASN 17 Cb 0.00 -3.46 0.79 0.00 1.23 0.00 0.00 39.78 38.33 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1snl h PRO 18 N -0.44 0.00 -0.62 1.20 0.13 -1.94 -2.90 132.00 127.43 1snl h PRO 18 Ca -0.41 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1snl h PRO 18 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1snl h PRO 18 CO 0.37 0.00 0.41 -0.22 -0.23 0.00 0.00 178.00 178.33 1snl h LYS 19 N 0.00 0.54 -0.21 0.86 3.64 -2.01 -2.28 116.57 117.12 1snl h LYS 19 Ca 0.00 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1snl h LYS 19 Cb 0.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1snl h LYS 19 CO 0.00 0.36 -0.57 1.15 -2.27 0.00 0.00 179.45 178.13 1snl h THR 20 N 0.56 1.30 -0.70 1.00 2.02 -1.86 -2.93 112.91 112.30 1snl h THR 20 Ca 0.27 -1.78 0.07 0.00 0.77 0.00 0.00 66.41 65.75 1snl h THR 20 Cb 0.35 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 1snl h THR 20 CO -0.08 0.56 0.37 0.15 0.37 0.00 0.00 175.52 176.89 1snl h PHE 21 N 0.48 0.68 -0.52 3.16 3.04 -1.59 -0.23 116.94 121.96 1snl h PHE 21 Ca -0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1snl h PHE 21 Cb 1.18 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.47 1snl h PHE 21 CO 0.09 0.29 0.27 0.35 -2.02 0.00 0.00 178.31 177.29 1snl h PHE 22 N 0.66 0.70 0.30 0.41 3.04 -1.44 -1.89 116.94 118.73 1snl h PHE 22 Ca 0.33 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1snl h PHE 22 Cb 0.27 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1snl h PHE 22 CO -0.09 0.50 -0.15 0.82 -2.02 0.00 0.00 178.31 177.38 1snl h ILE 23 N 0.73 0.00 -1.20 1.41 2.04 -0.93 -2.54 117.51 117.02 1snl h ILE 23 Ca 0.19 -0.60 0.35 0.00 1.00 0.00 0.00 64.86 65.79 1snl h ILE 23 Cb 0.04 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.03 1snl h ILE 23 CO -0.03 0.00 0.80 0.25 0.00 0.00 0.00 178.15 179.17 1snl h LEU 24 N -1.01 0.27 -0.02 1.44 5.85 -1.09 1.39 115.31 122.14 1snl h LEU 24 Ca -0.04 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1snl h LEU 24 Cb 0.31 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1snl h LEU 24 CO 0.07 -0.02 0.00 0.45 -0.34 0.00 0.00 178.44 178.60 1snl h HIS 25 N 0.20 0.00 -1.33 1.25 3.86 -1.35 -3.40 115.15 114.37 1snl h HIS 25 Ca 0.67 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.33 1snl h HIS 25 Cb 2.08 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.47 1snl h HIS 25 CO -0.00 0.00 1.32 0.34 0.86 0.00 0.00 177.93 180.45 1snl s ASP 26 N -4.93 6.23 -0.06 2.45 -1.08 0.48 -4.82 116.67 114.94 1snl s ASP 26 Ca 0.10 -1.10 -0.27 0.00 -0.52 0.00 0.00 52.55 50.76 1snl s ASP 26 Cb 0.11 -2.57 -0.22 0.00 -1.46 0.00 0.00 42.92 38.78 1snl s ASP 26 CO 0.61 -1.75 1.10 0.40 0.52 0.00 0.00 175.17 176.05 1snl h ILE 27 N 6.71 1.53 -0.25 4.11 2.04 -1.80 -3.23 117.51 126.62 1snl h ILE 27 Ca 0.08 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1snl h ILE 27 Cb 1.02 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1snl h ILE 27 CO 1.37 0.42 0.00 0.59 0.00 0.00 0.00 178.15 180.52 1snl n ASN 28 N -4.74 1.55 -3.86 1.72 5.03 -1.26 -4.94 115.26 108.76 1snl n ASN 28 Ca -0.09 -1.89 -0.38 0.00 0.87 0.00 0.00 54.58 53.09 1snl n ASN 28 Cb 0.34 -0.16 0.03 0.00 -1.02 0.00 0.00 39.78 38.97 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1snl n SER 29 N 0.31 -4.82 -0.73 6.41 3.41 -1.22 -4.85 113.62 112.13 1snl n SER 29 Ca 0.12 -1.14 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 1snl n SER 29 Cb 0.27 -2.58 0.06 0.00 -0.26 0.00 0.00 64.21 61.69 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1snl n ASP 30 N -2.42 2.50 0.00 4.04 2.03 -1.26 -4.94 116.55 116.50 1snl n ASP 30 Ca -0.10 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.46 1snl n ASP 30 Cb 0.58 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 31 N 1.28 1.22 3.23 0.27 0.00 -1.26 -4.97 105.19 104.96 1snl n GLY 31 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.47 0.50 -0.17 1.61 -7.23 -1.26 -3.43 120.40 106.95 1snl s VAL 32 Ca 0.00 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1snl s VAL 32 Cb 0.00 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1snl s VAL 32 CO 0.00 -0.41 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.01 1snl s LEU 33 N -3.16 2.42 0.46 1.32 2.96 -0.15 -4.97 118.68 117.56 1snl s LEU 33 Ca 0.26 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1snl s LEU 33 Cb 0.07 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 1snl s LEU 33 CO 0.05 0.05 0.40 1.51 -1.32 0.00 0.00 176.35 177.03 1snl s ASP 34 N 1.04 4.89 0.04 3.68 -4.77 -1.26 -1.69 116.67 118.59 1snl s ASP 34 Ca -0.01 -0.91 0.02 0.00 -3.30 0.00 0.00 52.55 48.35 1snl s ASP 34 Cb -0.15 -0.24 0.14 0.00 -1.09 0.00 0.00 42.92 41.58 1snl s ASP 34 CO -0.04 -0.81 1.05 1.21 0.70 0.00 0.00 175.17 177.28 1snl n GLU 35 N -1.63 0.02 -0.06 2.11 2.13 -1.25 -1.66 120.64 120.30 1snl n GLU 35 Ca 0.03 0.49 -0.17 0.00 0.66 0.00 0.00 57.16 58.16 1snl n GLU 35 Cb 0.63 -1.59 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1snl h GLN 36 N 0.00 0.05 -0.01 5.31 1.08 -1.93 0.18 115.11 119.78 1snl h GLN 36 Ca 0.00 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1snl h GLN 36 Cb 0.06 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1snl h GLN 36 CO 0.00 1.04 -0.37 0.93 -0.95 0.00 0.00 178.83 179.48 1snl h GLU 37 N -0.88 0.03 0.07 1.46 3.07 -1.75 -0.01 114.58 116.57 1snl h GLU 37 Ca -0.13 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.46 1snl h GLU 37 Cb 1.20 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1snl h GLU 37 CO -0.03 0.40 -1.29 1.25 -1.40 0.00 0.00 179.01 177.93 1snl h LEU 38 N 0.02 0.24 -0.12 1.33 5.85 -1.40 -2.20 115.31 119.04 1snl h LEU 38 Ca -0.00 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1snl h LEU 38 Cb 0.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1snl h LEU 38 CO 0.05 1.24 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.90 1snl h GLU 39 N 0.04 0.48 -0.00 1.25 4.81 -0.31 -2.69 114.58 118.17 1snl h GLU 39 Ca -0.14 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 1snl h GLU 39 Cb 1.92 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 1snl h GLU 39 CO 0.16 0.99 -0.72 0.00 -0.73 0.00 0.00 179.01 178.71 1snl h ALA 40 N 0.50 0.81 0.00 2.92 0.00 -1.11 -3.00 119.26 119.37 1snl h ALA 40 Ca -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1snl h ALA 40 Cb 1.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1snl h ALA 40 CO 0.09 0.89 -0.15 -0.07 0.00 0.00 0.00 179.25 180.00 1snl h LEU 41 N 0.01 0.00 0.00 0.00 3.38 -1.43 -2.72 115.31 114.55 1snl h LEU 41 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1snl h LEU 41 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1snl h LEU 41 CO 0.09 0.15 -0.00 -0.26 0.09 0.00 0.00 178.44 178.51 1snl h PHE 42 N 0.00 -0.00 -0.82 1.13 -1.00 -1.36 -2.44 116.94 112.44 1snl h PHE 42 Ca -0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1snl h PHE 42 Cb 0.89 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 1snl h PHE 42 CO 0.00 0.85 0.45 1.15 -1.61 0.00 0.00 178.31 179.15 1snl h THR 43 N -0.88 1.24 -0.04 -1.55 2.02 -1.58 -2.95 112.91 109.17 1snl h THR 43 Ca -0.00 -0.60 -0.22 0.00 0.77 0.00 0.00 66.41 66.36 1snl h THR 43 Cb 0.85 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1snl h THR 43 CO 0.00 0.27 -0.88 0.11 0.37 0.00 0.00 175.52 175.39 1snl h LYS 44 N 1.15 0.49 -0.02 6.66 1.57 -1.58 -3.11 116.57 121.73 1snl h LYS 44 Ca 0.29 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1snl h LYS 44 Cb 0.03 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1snl h LYS 44 CO -0.05 1.12 -0.12 0.93 -0.57 0.00 0.00 179.45 180.76 1snl h GLU 45 N 0.30 0.03 -0.05 3.15 5.08 -1.27 -1.56 114.58 120.27 1snl h GLU 45 Ca -0.07 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1snl h GLU 45 Cb 1.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1snl h GLU 45 CO 0.16 0.16 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.62 1snl h LEU 46 N 0.03 0.23 -0.63 1.33 3.38 -1.49 -2.79 115.31 115.38 1snl h LEU 46 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1snl h LEU 46 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1snl h LEU 46 CO 0.02 0.81 0.18 -0.62 0.09 0.00 0.00 178.44 178.91 1snl n GLU 47 N -3.84 0.06 -1.95 1.13 -0.58 -0.59 -0.79 120.64 114.09 1snl n GLU 47 Ca -0.02 0.50 -0.26 0.00 -0.42 0.00 0.00 57.16 56.96 1snl n GLU 47 Cb 0.64 -1.88 0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1snl n LYS 48 N -1.81 3.49 0.18 3.49 5.02 -1.05 -4.36 118.16 123.12 1snl n LYS 48 Ca -0.01 -4.07 0.00 0.00 -2.02 0.00 0.00 58.31 52.22 1snl n LYS 48 Cb 0.19 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.73 0.00 0.02 -0.18 0.31 0.02 -4.93 118.33 112.85 1snl n VAL 49 Ca 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.77 1snl n VAL 49 Cb 0.91 -0.26 -0.10 0.00 -0.91 0.00 0.00 33.84 33.48 1snl n VAL 49 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1snl h TYR 50 N 0.00 0.00 -5.12 3.52 0.05 -1.84 -3.49 116.97 110.09 1snl h TYR 50 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1snl h TYR 50 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1snl h TYR 50 CO 0.00 0.70 -0.09 -3.47 -1.05 0.00 0.00 178.16 174.25 1snl n ASP 51 N -2.95 -7.27 -3.84 3.88 -0.08 -1.26 -4.97 116.55 100.07 1snl n ASP 51 Ca -0.11 0.05 -0.30 0.00 -1.51 0.00 0.00 54.79 52.92 1snl n ASP 51 Cb 0.90 -4.91 0.28 0.00 2.34 0.00 0.00 41.12 39.72 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1snl s PRO 52 N -2.89 -2.20 0.00 -0.67 0.02 -1.26 -4.95 135.00 123.05 1snl s PRO 52 Ca 0.05 0.37 0.00 0.00 0.02 0.00 0.00 61.00 61.44 1snl s PRO 52 Cb -0.01 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 33.07 1snl s PRO 52 CO 0.68 -4.46 0.00 0.36 -0.33 0.00 0.00 177.00 173.25 1snl n LYS 53 N -5.37 0.00 0.12 5.54 2.85 -1.26 -4.93 118.16 115.11 1snl n LYS 53 Ca 0.09 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.46 1snl n LYS 53 Cb 0.58 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.00 1snl n LYS 53 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1snl h ASN 54 N 0.00 0.00 -4.07 -5.58 -0.26 -2.01 -3.50 115.58 100.16 1snl h ASN 54 Ca 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1snl h ASN 54 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1snl h ASN 54 CO 0.00 0.01 -0.75 -0.62 -1.06 0.00 0.00 177.43 175.01 1snl n GLU 55 N -2.70 -3.79 -3.92 0.81 -0.58 -1.26 -4.71 120.64 104.49 1snl n GLU 55 Ca 0.01 2.82 -0.26 0.00 -0.42 0.00 0.00 57.16 59.31 1snl n GLU 55 Cb 0.54 -3.17 -0.00 0.00 -0.57 0.00 0.00 31.44 28.23 1snl n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1snl n GLU 56 N -0.87 -3.91 0.00 3.49 -0.58 -1.26 -4.86 120.64 112.65 1snl n GLU 56 Ca 0.00 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1snl n GLU 56 Cb 0.00 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.02 1snl n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1snl n ASP 57 N -2.95 0.00 0.05 1.62 2.03 -1.26 -4.88 116.55 111.15 1snl n ASP 57 Ca -0.23 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.10 1snl n ASP 57 Cb 0.65 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.13 1snl n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1snl n ASP 58 N 0.00 0.08 -0.70 1.67 2.03 -1.26 -0.11 116.55 118.26 1snl n ASP 58 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1snl n ASP 58 Cb 0.00 -0.31 0.03 0.00 -0.72 0.00 0.00 41.12 40.12 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1snl n MET 59 N -1.47 1.29 0.04 -0.67 2.81 -1.26 -3.80 117.12 114.05 1snl n MET 59 Ca -0.00 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1snl n MET 59 Cb 0.27 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1snl n MET 59 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1snl n ARG 60 N 0.11 0.00 0.23 0.03 1.74 0.84 -4.59 116.66 115.02 1snl n ARG 60 Ca 0.03 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 1snl n ARG 60 Cb 0.38 -0.26 0.14 0.00 -1.02 0.00 0.00 32.46 31.70 1snl n ARG 60 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1snl h GLU 61 N 0.00 0.00 -0.15 5.56 4.81 -1.69 2.33 114.58 125.45 1snl h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1snl h GLU 61 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1snl h GLU 61 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1snl n MET 62 N -2.12 1.73 0.29 1.92 0.00 -1.26 -4.65 117.12 113.03 1snl n MET 62 Ca -0.00 -1.50 0.04 0.00 0.00 0.00 0.00 57.70 56.23 1snl n MET 62 Cb 0.71 -1.17 0.13 0.00 0.00 0.00 0.00 33.22 32.89 1snl n MET 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1snl h GLU 63 N 1.48 0.00 0.00 3.17 4.11 0.37 1.99 114.58 125.69 1snl h GLU 63 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1snl h GLU 63 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1snl h GLU 63 CO 0.00 0.00 -0.25 0.93 0.07 0.00 0.00 179.01 179.76 1snl h GLU 64 N 0.00 0.00 -0.07 1.06 5.08 -1.83 -2.39 114.58 116.43 1snl h GLU 64 Ca 0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.16 1snl h GLU 64 Cb 1.92 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.18 1snl h GLU 64 CO -0.00 0.25 -0.88 1.49 -1.00 0.00 0.00 179.01 178.87 1snl h GLU 65 N 0.00 0.72 -0.47 2.33 4.57 0.28 0.41 114.58 122.43 1snl h GLU 65 Ca -0.00 -0.68 -0.06 0.00 -1.18 0.00 0.00 59.36 57.44 1snl h GLU 65 Cb 0.47 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1snl h GLU 65 CO 0.03 1.27 0.04 0.00 -1.18 0.00 0.00 179.01 179.18 1snl h ARG 66 N 0.42 0.74 0.00 1.92 3.08 -1.56 -1.09 114.38 117.89 1snl h ARG 66 Ca -0.09 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.60 1snl h ARG 66 Cb 1.52 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 1snl h ARG 66 CO 0.18 0.72 -0.97 -0.07 -1.07 0.00 0.00 179.97 178.76 1snl h LEU 67 N 0.70 0.00 -0.36 3.04 3.38 -1.42 -1.79 115.31 118.86 1snl h LEU 67 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1snl h LEU 67 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1snl h LEU 67 CO 0.01 0.85 -0.67 -0.09 0.09 0.00 0.00 178.44 178.63 1snl h ARG 68 N 0.00 0.60 0.10 1.13 1.12 -0.50 -1.05 114.38 115.79 1snl h ARG 68 Ca -0.05 -0.45 -0.31 0.00 -1.11 0.00 0.00 59.98 58.07 1snl h ARG 68 Cb 1.69 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.71 1snl h ARG 68 CO 0.10 1.07 -1.59 0.52 -3.11 0.00 0.00 179.97 176.96 1snl h MET 69 N 0.43 0.21 -0.09 0.20 0.00 -1.29 -2.72 114.93 111.68 1snl h MET 69 Ca -0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 59.70 59.16 1snl h MET 69 Cb 1.26 0.14 -0.01 0.00 0.00 0.00 0.00 31.60 32.98 1snl h MET 69 CO 0.13 1.04 -0.61 -0.09 0.00 0.00 0.00 176.91 177.38 1snl h ARG 70 N 0.06 0.31 0.06 1.72 2.43 -1.38 -2.39 114.38 115.19 1snl h ARG 70 Ca -0.26 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 1snl h ARG 70 Cb 2.01 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.60 1snl h ARG 70 CO 0.14 0.82 -0.46 0.93 -1.51 0.00 0.00 179.97 179.90 1snl h GLU 71 N 0.23 0.21 -0.43 0.20 4.39 -1.30 -2.68 114.58 115.20 1snl h GLU 71 Ca -0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1snl h GLU 71 Cb 1.13 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1snl h GLU 71 CO 0.10 1.09 0.27 1.25 -1.16 0.00 0.00 179.01 180.56 1snl h HIS 72 N -0.52 0.54 0.15 4.33 2.76 -1.53 0.85 115.15 121.73 1snl h HIS 72 Ca -0.07 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1snl h HIS 72 Cb 1.29 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1snl h HIS 72 CO 0.21 0.36 -0.07 0.28 -1.30 0.00 0.00 177.93 177.40 1snl h VAL 73 N 0.58 0.65 0.00 5.26 2.07 -1.50 -2.89 116.25 120.43 1snl h VAL 73 Ca 0.16 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1snl h VAL 73 Cb -0.04 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1snl h VAL 73 CO -0.03 0.19 0.00 0.24 0.02 0.00 0.00 177.57 177.99 1snl h MET 74 N -0.95 0.00 0.20 1.57 2.07 -1.39 0.35 114.93 116.78 1snl h MET 74 Ca -0.02 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.27 1snl h MET 74 Cb 0.46 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.21 1snl h MET 74 CO 0.03 0.00 -1.58 -0.22 1.07 0.00 0.00 176.91 176.21 1snl h LYS 75 N 0.00 0.43 0.00 1.72 1.63 -0.85 -3.21 116.57 116.29 1snl h LYS 75 Ca 0.00 -0.73 -0.06 0.00 -0.85 0.00 0.00 60.65 59.01 1snl h LYS 75 Cb 0.17 0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1snl h LYS 75 CO 0.00 1.34 -1.87 0.27 -3.45 0.00 0.00 179.45 175.74 1snl n ASN 76 N -3.62 0.97 -0.06 4.20 2.04 -1.04 -4.59 115.26 113.16 1snl n ASN 76 Ca -0.19 0.00 -0.15 0.00 -0.44 0.00 0.00 54.58 53.80 1snl n ASN 76 Cb 1.08 1.64 -0.14 0.00 -2.53 0.00 0.00 39.78 39.83 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -2.21 1.58 -1.43 3.53 0.31 0.12 -4.85 118.33 115.39 1snl n VAL 77 Ca -0.08 -0.71 -0.49 0.00 -0.01 0.00 0.00 64.34 63.06 1snl n VAL 77 Cb 0.57 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 1snl n VAL 77 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1snl n ASP 78 N -3.16 1.48 0.00 4.52 -0.08 -1.21 -4.84 116.55 113.25 1snl n ASP 78 Ca -0.32 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1snl n ASP 78 Cb 1.06 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1snl n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1snl n THR 79 N 7.23 0.00 -1.23 5.18 5.66 -1.26 -4.48 114.28 125.37 1snl n THR 79 Ca 0.49 0.55 -0.07 0.00 -3.05 0.00 0.00 64.05 61.96 1snl n THR 79 Cb 0.17 -1.34 0.23 0.00 -1.55 0.00 0.00 70.33 67.85 1snl n THR 79 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1snl n ASN 80 N -1.62 3.54 -3.60 1.09 2.04 -1.26 -4.98 115.26 110.47 1snl n ASN 80 Ca 0.00 -3.49 -0.21 0.00 -0.44 0.00 0.00 54.58 50.45 1snl n ASN 80 Cb 0.00 -0.69 0.00 0.00 -2.53 0.00 0.00 39.78 36.56 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1snl n GLN 81 N -0.81 -1.55 -0.37 -3.83 1.13 -1.26 -4.88 117.38 105.81 1snl n GLN 81 Ca 0.39 0.99 0.02 0.00 -1.94 0.00 0.00 57.00 56.46 1snl n GLN 81 Cb 1.24 -3.03 0.02 0.00 0.11 0.00 0.00 30.24 28.59 1snl n GLN 81 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1snl n ASP 82 N -2.20 0.45 0.00 1.08 9.92 -1.26 -4.94 116.55 119.59 1snl n ASP 82 Ca -0.23 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1snl n ASP 82 Cb 0.65 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1snl n ARG 83 N -0.26 0.00 -5.25 -1.24 1.74 -1.26 -4.89 116.66 105.50 1snl n ARG 83 Ca 0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 1snl n ARG 83 Cb 0.66 -4.31 -0.17 0.00 -1.02 0.00 0.00 32.46 27.63 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.08 -0.14 0.55 1.43 -1.26 -3.74 118.68 117.60 1snl s LEU 84 Ca 0.00 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1snl s LEU 84 Cb 0.00 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1snl s LEU 84 CO 0.00 0.22 -0.04 -0.69 0.23 0.00 0.00 176.35 176.07 1snl s VAL 85 N -0.03 3.87 0.24 -1.59 1.01 -0.68 -4.76 120.40 118.45 1snl s VAL 85 Ca -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1snl s VAL 85 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1snl s VAL 85 CO 0.05 0.51 0.40 0.42 0.00 0.00 0.00 175.10 176.48 1snl s THR 86 N 0.15 5.22 0.30 3.92 -4.23 -1.26 -0.98 115.64 118.76 1snl s THR 86 Ca -0.02 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1snl s THR 86 Cb -0.14 -3.80 0.17 0.00 1.34 0.00 0.00 72.50 70.07 1snl s THR 86 CO 0.03 -0.30 1.86 0.25 -0.54 0.00 0.00 174.62 175.92 1snl h LEU 87 N 1.48 0.74 0.00 4.79 7.12 -1.95 -1.68 115.31 125.81 1snl h LEU 87 Ca -0.50 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.40 1snl h LEU 87 Cb 1.21 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1snl h LEU 87 CO 0.64 0.70 0.00 -0.62 -0.13 0.00 0.00 178.44 179.03 1snl n GLU 88 N -4.30 0.00 0.10 1.25 4.71 -1.26 -1.76 120.64 119.38 1snl n GLU 88 Ca 0.04 0.45 0.04 0.00 -0.01 0.00 0.00 57.16 57.68 1snl n GLU 88 Cb 0.20 -1.41 0.47 0.00 -1.01 0.00 0.00 31.44 29.68 1snl n GLU 88 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1snl h GLU 89 N 0.00 0.32 -0.25 3.49 4.39 -1.98 -2.41 114.58 118.14 1snl h GLU 89 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1snl h GLU 89 Cb 0.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1snl h GLU 89 CO 0.00 0.28 0.05 0.35 -1.16 0.00 0.00 179.01 178.53 1snl h PHE 90 N 0.32 0.09 -0.53 4.33 3.57 -1.26 -1.75 116.94 121.71 1snl h PHE 90 Ca 0.08 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1snl h PHE 90 Cb 0.08 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 1snl h PHE 90 CO 0.00 0.03 0.06 -0.07 -2.23 0.00 0.00 178.31 176.10 1snl h LEU 91 N 0.15 -0.11 -0.86 0.59 3.38 -0.82 -1.93 115.31 115.71 1snl h LEU 91 Ca 0.11 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1snl h LEU 91 Cb 0.11 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 1snl h LEU 91 CO -0.14 -0.03 -0.49 0.00 0.09 0.00 0.00 178.44 177.87 1snl h ALA 92 N 1.45 -0.28 -0.81 1.53 0.00 -1.24 1.70 119.26 121.61 1snl h ALA 92 Ca 0.27 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.52 1snl h ALA 92 Cb 0.40 1.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1snl h ALA 92 CO -0.40 -0.83 0.55 1.03 0.00 0.00 0.00 179.25 179.60 1snl h SER 93 N -0.08 0.32 -0.63 0.00 0.87 -1.24 0.45 113.55 113.25 1snl h SER 93 Ca 0.22 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 1snl h SER 93 Cb 0.52 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.35 1snl h SER 93 CO -0.88 0.15 0.17 0.35 -0.53 0.00 0.00 176.83 176.09 1snl n THR 94 N -4.46 2.82 -3.71 2.23 -2.24 0.51 -4.92 114.28 104.51 1snl n THR 94 Ca 0.16 -1.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.12 1snl n THR 94 Cb 0.65 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1snl n THR 94 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1snl s GLN 95 N -2.95 0.55 0.00 -0.78 -0.21 0.26 -4.98 119.66 111.55 1snl s GLN 95 Ca 0.53 0.62 0.00 0.00 0.02 0.00 0.00 55.36 56.53 1snl s GLN 95 Cb 0.42 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.70 1snl s GLN 95 CO 0.13 -0.07 0.67 0.54 -2.12 0.00 0.00 175.29 174.44 1snl n ARG 96 N 2.75 0.00 -0.53 2.91 5.12 -1.26 -4.61 116.66 121.04 1snl n ARG 96 Ca -0.14 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.19 1snl n ARG 96 Cb 0.57 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.50 1snl n ARG 96 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1snl n LYS 97 N 0.00 -0.40 -1.38 5.56 5.02 -1.26 -4.77 118.16 120.94 1snl n LYS 97 Ca 0.00 0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1snl n LYS 97 Cb 0.59 -4.23 -0.08 0.00 -0.02 0.00 0.00 35.03 31.29 1snl n LYS 97 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1snl n GLU 98 N -1.16 2.31 -0.19 1.97 1.02 -1.26 -5.35 120.64 117.98 1snl n GLU 98 Ca 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1snl n GLU 98 Cb 0.09 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1snl n GLU 98 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50