#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn6 n ASP 2 N 0.00 3.45 -0.08 6.43 8.00 -1.26 -4.08 116.55 129.01 1sn6 n ASP 2 Ca 0.00 -2.13 -0.09 0.00 0.71 0.00 0.00 54.79 53.27 1sn6 n ASP 2 Cb 0.00 -0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 40.21 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1sn6 n VAL 3 N 3.56 1.48 0.43 2.53 0.31 -1.26 -4.28 118.33 121.10 1sn6 n VAL 3 Ca 0.30 0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.86 1sn6 n VAL 3 Cb 0.27 -2.27 0.43 0.00 -0.91 0.00 0.00 33.84 31.36 1sn6 n VAL 3 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1sn6 n TYR 4 N -4.38 0.52 -0.02 3.52 4.02 -1.26 -1.95 117.16 117.62 1sn6 n TYR 4 Ca -0.15 0.20 -0.16 0.00 -0.01 0.00 0.00 57.90 57.78 1sn6 n TYR 4 Cb 0.50 -0.83 -0.09 0.00 -0.02 0.00 0.00 39.34 38.91 1sn6 n TYR 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sn6 h GLU 6 N 0.18 0.25 -0.47 0.00 3.07 -1.70 -3.03 114.58 112.88 1sn6 h GLU 6 Ca -0.04 -0.42 0.10 0.00 -0.50 0.00 0.00 59.36 58.49 1sn6 h GLU 6 Cb 1.22 0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 29.18 1sn6 h GLU 6 CO 0.12 1.20 -0.23 0.28 -1.40 0.00 0.00 179.01 178.98 1sn6 h VAL 7 N -0.41 0.33 -0.44 3.13 2.07 -1.51 -0.38 116.25 119.04 1sn6 h VAL 7 Ca -0.21 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1sn6 h VAL 7 Cb 1.64 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1sn6 h VAL 7 CO 0.09 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.85 1sn6 h GLU 9 N 0.58 0.02 0.00 0.00 4.57 -0.95 0.95 114.58 119.75 1sn6 h GLU 9 Ca 0.15 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.19 1sn6 h GLU 9 Cb 0.21 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1sn6 h GLU 9 CO -0.01 0.01 -0.52 0.35 -1.18 0.00 0.00 179.01 177.66 1sn6 h PHE 10 N 0.02 0.52 0.11 0.92 3.57 -1.22 -2.84 116.94 118.02 1sn6 h PHE 10 Ca 0.41 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1sn6 h PHE 10 Cb 0.67 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1sn6 h PHE 10 CO -0.58 1.10 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.49 1sn6 h LEU 11 N -0.21 -0.12 -1.95 0.59 3.38 -0.45 -1.01 115.31 115.54 1sn6 h LEU 11 Ca -0.07 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1sn6 h LEU 11 Cb 1.25 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1sn6 h LEU 11 CO 0.10 0.28 -0.02 0.58 0.09 0.00 0.00 178.44 179.47 1sn6 h VAL 12 N -0.54 1.02 0.13 1.22 2.07 0.76 -0.49 116.25 120.42 1sn6 h VAL 12 Ca -0.01 -0.08 -0.28 0.00 0.82 0.00 0.00 66.70 67.14 1sn6 h VAL 12 Cb 0.44 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1sn6 h VAL 12 CO 0.02 0.02 -1.32 0.50 0.02 0.00 0.00 177.57 176.82 1sn6 h LYS 13 N 0.01 0.28 0.35 1.57 3.64 -1.42 -2.95 116.57 118.05 1sn6 h LYS 13 Ca 0.00 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1sn6 h LYS 13 Cb 0.04 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1sn6 h LYS 13 CO 0.00 1.21 -0.17 0.93 -2.27 0.00 0.00 179.45 179.16 1sn6 h GLU 14 N 0.08 -0.45 -1.00 1.90 4.39 -0.63 -2.94 114.58 115.93 1sn6 h GLU 14 Ca -0.16 0.03 0.35 0.00 0.34 0.00 0.00 59.36 59.92 1sn6 h GLU 14 Cb 1.99 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 30.59 1sn6 h GLU 14 CO 0.20 -0.30 0.55 -0.24 -1.16 0.00 0.00 179.01 178.06 1sn6 h VAL 15 N -0.93 0.19 -0.63 3.13 3.04 -1.27 2.24 116.25 122.03 1sn6 h VAL 15 Ca -0.05 -0.07 0.10 0.00 -1.01 0.00 0.00 66.70 65.67 1sn6 h VAL 15 Cb 0.36 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 29.53 1sn6 h VAL 15 CO 0.08 0.04 0.24 0.71 -1.01 0.00 0.00 177.57 177.63 1sn6 h THR 16 N 0.21 0.77 -1.21 3.17 1.35 -1.47 1.20 112.91 116.93 1sn6 h THR 16 Ca 0.77 -0.15 0.36 0.00 -0.55 0.00 0.00 66.41 66.84 1sn6 h THR 16 Cb 1.86 0.30 -0.10 0.00 -1.73 0.00 0.00 68.15 68.48 1sn6 h THR 16 CO -0.67 0.08 0.79 0.11 -0.25 0.00 0.00 175.52 175.58 1sn6 h LYS 17 N 0.43 0.20 0.00 4.72 1.57 0.39 2.66 116.57 126.55 1sn6 h LYS 17 Ca 0.32 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 1sn6 h LYS 17 Cb 0.39 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1sn6 h LYS 17 CO -0.31 0.13 -1.34 1.28 -0.57 0.00 0.00 179.45 178.64 1sn6 n LEU 18 N -4.59 1.89 0.25 2.94 4.77 0.95 -4.03 117.00 119.19 1sn6 n LEU 18 Ca 0.31 0.43 0.16 0.00 -0.03 0.00 0.00 56.01 56.88 1sn6 n LEU 18 Cb 1.19 -0.85 0.71 0.00 -2.33 0.00 0.00 43.42 42.15 1sn6 n LEU 18 CO 0.25 0.04 1.13 0.40 -1.33 0.00 0.00 177.39 177.88 1sn6 h ILE 19 N -1.00 0.10 -0.32 -0.08 2.04 0.19 -0.11 117.51 118.32 1sn6 h ILE 19 Ca -0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1sn6 h ILE 19 Cb 1.11 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 1sn6 h ILE 19 CO -0.16 0.00 -0.55 -0.78 0.00 0.00 0.00 178.15 176.65 1sn6 h ASP 20 N 0.00 -1.83 -0.09 1.72 3.58 0.45 -3.38 116.42 116.88 1sn6 h ASP 20 Ca 0.07 0.23 -0.19 0.00 0.42 0.00 0.00 57.03 57.56 1sn6 h ASP 20 Cb 0.97 0.74 -0.19 0.00 1.72 0.00 0.00 39.33 42.57 1sn6 h ASP 20 CO -0.00 -0.43 -0.42 0.59 -2.88 0.00 0.00 179.24 176.10 1sn6 n ASN 21 N -5.39 -1.05 -0.09 2.28 4.13 -0.74 -4.97 115.26 109.43 1sn6 n ASN 21 Ca -0.04 -2.24 -0.10 0.00 1.68 0.00 0.00 54.58 53.87 1sn6 n ASN 21 Cb 0.35 0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 39.11 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sn6 n ASN 22 N -1.24 1.90 -4.62 6.41 5.03 -0.13 -4.86 115.26 117.75 1sn6 n ASN 22 Ca -0.12 0.42 -0.40 0.00 0.87 0.00 0.00 54.58 55.36 1sn6 n ASN 22 Cb 0.86 -0.79 -0.08 0.00 -1.02 0.00 0.00 39.78 38.75 1sn6 n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1sn6 s LYS 23 N -2.67 4.08 0.00 3.52 0.00 -1.26 -5.07 119.74 118.34 1sn6 s LYS 23 Ca -0.26 0.27 0.00 0.00 0.00 0.00 0.00 55.97 55.98 1sn6 s LYS 23 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 37.83 34.24 1sn6 s LYS 23 CO 0.38 -0.29 0.00 0.25 0.00 0.00 0.00 175.35 175.69 1sn6 n THR 24 N 5.02 0.00 0.38 3.79 -2.24 -1.26 -4.96 114.28 115.01 1sn6 n THR 24 Ca -0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1sn6 n THR 24 Cb 0.50 -1.66 0.20 0.00 -2.10 0.00 0.00 70.33 67.27 1sn6 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sn6 n GLU 25 N -0.94 2.46 -0.07 -0.78 4.71 -1.26 -4.13 120.64 120.64 1sn6 n GLU 25 Ca 0.00 -1.60 -0.19 0.00 -0.01 0.00 0.00 57.16 55.36 1sn6 n GLU 25 Cb 0.00 -1.57 -0.13 0.00 -1.01 0.00 0.00 31.44 28.73 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1sn6 h LYS 26 N 2.34 0.06 0.00 3.49 1.79 -2.00 -3.02 116.57 119.24 1sn6 h LYS 26 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1sn6 h LYS 26 Cb 0.87 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1sn6 h LYS 26 CO 0.11 1.05 0.00 -0.85 -1.08 0.00 0.00 179.45 178.68 1sn6 n GLU 27 N -4.39 0.03 0.00 3.15 0.28 -1.26 -2.73 120.64 115.72 1sn6 n GLU 27 Ca -0.22 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1sn6 n GLU 27 Cb 0.66 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1sn6 n ILE 28 N -1.61 0.00 -0.24 3.84 2.08 -1.24 -2.24 119.36 119.94 1sn6 n ILE 28 Ca 0.05 0.39 0.32 0.00 0.56 0.00 0.00 62.75 64.07 1sn6 n ILE 28 Cb 0.27 -1.20 0.69 0.00 -0.75 0.00 0.00 39.64 38.65 1sn6 n ILE 28 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1sn6 h LEU 29 N 0.00 0.00 -0.05 1.39 3.38 -1.65 0.94 115.31 119.32 1sn6 h LEU 29 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sn6 h LEU 29 CO 0.00 0.00 -0.13 0.44 0.09 0.00 0.00 178.44 178.84 1sn6 h ASP 30 N 0.00 0.20 -0.52 -0.43 5.19 -1.64 -2.99 116.42 116.23 1sn6 h ASP 30 Ca 0.50 -0.61 0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1sn6 h ASP 30 Cb 2.29 -0.06 -0.11 0.00 0.18 0.00 0.00 39.33 41.63 1sn6 h ASP 30 CO -0.01 0.77 -0.28 0.00 -3.12 0.00 0.00 179.24 176.61 1sn6 h ALA 31 N 0.43 0.04 -1.00 3.45 0.00 0.14 0.98 119.26 123.30 1sn6 h ALA 31 Ca -0.00 0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1sn6 h ALA 31 Cb 0.75 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1sn6 h ALA 31 CO 0.03 -0.62 0.62 0.74 0.00 0.00 0.00 179.25 180.02 1sn6 h PHE 32 N -0.15 0.90 0.00 0.00 0.04 -1.40 2.90 116.94 119.24 1sn6 h PHE 32 Ca 0.23 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1sn6 h PHE 32 Cb 0.52 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1sn6 h PHE 32 CO -0.56 0.15 0.00 -0.25 -0.60 0.00 0.00 178.31 177.05 1sn6 n ASP 33 N -4.73 0.00 0.00 2.17 8.00 0.34 -1.61 116.55 120.72 1sn6 n ASP 33 Ca 0.24 0.37 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1sn6 n ASP 33 Cb 0.69 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sn6 n LYS 34 N -1.41 0.00 0.01 -1.24 5.02 0.96 -4.24 118.16 117.27 1sn6 n LYS 34 Ca 0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 1sn6 n LYS 34 Cb 0.06 -0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 1sn6 n LYS 34 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1sn6 h MET 35 N 0.00 -0.09 0.00 1.97 2.86 -1.31 0.45 114.93 118.81 1sn6 h MET 35 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sn6 h MET 35 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1sn6 h MET 35 CO 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.91 1sn6 h SER 37 N 0.00 0.30 -0.50 0.00 4.64 -0.18 -3.36 113.55 114.44 1sn6 h SER 37 Ca 0.00 -0.81 -0.15 0.00 -0.47 0.00 0.00 61.79 60.36 1sn6 h SER 37 Cb 0.00 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 61.90 1sn6 h SER 37 CO 0.00 1.73 0.19 2.29 -0.87 0.00 0.00 176.83 180.17 1sn6 n LYS 38 N -3.81 2.80 -4.22 4.77 2.85 -0.79 -4.87 118.16 114.89 1sn6 n LYS 38 Ca -0.31 -2.04 -0.30 0.00 -1.05 0.00 0.00 58.31 54.61 1sn6 n LYS 38 Cb 0.93 -1.91 -0.10 0.00 -0.65 0.00 0.00 35.03 33.30 1sn6 n LYS 38 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1sn6 s LEU 39 N -1.97 3.08 0.16 -5.58 0.20 -1.21 -5.05 118.68 108.31 1sn6 s LEU 39 Ca 0.37 -0.36 -0.31 0.00 0.69 0.00 0.00 54.13 54.51 1sn6 s LEU 39 Cb 0.29 -1.87 -0.17 0.00 -0.43 0.00 0.00 46.19 44.01 1sn6 s LEU 39 CO 0.09 0.18 0.79 -2.65 -0.29 0.00 0.00 176.35 174.47 1sn6 n PRO 40 N 0.69 0.33 -0.12 0.98 -0.02 -1.26 -4.53 135.00 131.08 1sn6 n PRO 40 Ca -0.13 0.12 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 1sn6 n PRO 40 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1sn6 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sn6 h LYS 41 N 1.91 -0.18 -0.89 -0.52 3.64 -1.94 0.54 116.57 119.14 1sn6 h LYS 41 Ca -0.37 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1sn6 h LYS 41 Cb 1.41 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 33.16 1sn6 h LYS 41 CO 0.61 -0.12 0.42 0.77 -2.27 0.00 0.00 179.45 178.86 1sn6 h SER 42 N -0.19 0.43 0.44 4.20 0.02 -2.01 2.44 113.55 118.88 1sn6 h SER 42 Ca 0.19 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1sn6 h SER 42 Cb 0.49 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1sn6 h SER 42 CO -0.53 0.09 0.00 0.18 -1.14 0.00 0.00 176.83 175.43 1sn6 n LEU 43 N -4.97 0.00 -0.02 5.07 7.99 0.14 -2.82 117.00 122.39 1sn6 n LEU 43 Ca 0.21 0.23 -0.09 0.00 -0.01 0.00 0.00 56.01 56.35 1sn6 n LEU 43 Cb 0.58 -0.23 -0.14 0.00 -0.11 0.00 0.00 43.42 43.52 1sn6 n LEU 43 CO 0.16 -0.02 -0.52 -1.54 -1.51 0.00 0.00 177.39 173.97 1sn6 n SER 44 N -1.23 0.91 0.16 -1.43 3.41 0.81 -1.75 113.62 114.49 1sn6 n SER 44 Ca 0.15 0.42 0.05 0.00 -0.26 0.00 0.00 58.87 59.23 1sn6 n SER 44 Cb 0.20 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1sn6 n SER 44 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1sn6 h GLU 45 N 0.00 0.00 0.16 4.33 4.11 -1.10 -2.76 114.58 119.32 1sn6 h GLU 45 Ca -0.28 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.80 1sn6 h GLU 45 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1sn6 h GLU 45 CO 0.08 0.37 -1.79 0.93 0.07 0.00 0.00 179.01 178.67 1sn6 h GLU 46 N 0.00 0.35 0.00 1.06 5.08 -1.59 -2.65 114.58 116.83 1sn6 h GLU 46 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1sn6 h GLU 46 Cb 1.27 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1sn6 h GLU 46 CO 0.05 1.28 0.00 0.00 -1.00 0.00 0.00 179.01 179.34 1sn6 n GLN 48 N -2.93 0.62 0.01 0.00 1.13 -1.04 -2.96 117.38 112.21 1sn6 n GLN 48 Ca 0.02 0.23 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1sn6 n GLN 48 Cb 0.35 -1.81 -0.09 0.00 0.11 0.00 0.00 30.24 28.80 1sn6 n GLN 48 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1sn6 h GLU 49 N 0.00 -0.01 -0.41 -1.09 4.22 -1.08 -2.92 114.58 113.28 1sn6 h GLU 49 Ca -0.16 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.20 1sn6 h GLU 49 Cb 1.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1sn6 h GLU 49 CO 0.05 0.32 -0.03 0.28 -2.18 0.00 0.00 179.01 177.45 1sn6 h VAL 50 N -0.33 1.27 -0.75 0.32 2.07 -1.64 -3.00 116.25 114.18 1sn6 h VAL 50 Ca -0.00 -1.07 0.13 0.00 0.82 0.00 0.00 66.70 66.58 1sn6 h VAL 50 Cb 0.33 1.13 -0.14 0.00 -1.52 0.00 0.00 31.29 31.09 1sn6 h VAL 50 CO 0.00 0.36 -0.31 0.58 0.02 0.00 0.00 177.57 178.23 1sn6 h VAL 51 N 0.58 0.14 -0.86 2.57 2.07 -1.49 3.95 116.25 123.20 1sn6 h VAL 51 Ca 0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.78 1sn6 h VAL 51 Cb 0.52 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1sn6 h VAL 51 CO 0.03 0.00 0.56 0.44 0.02 0.00 0.00 177.57 178.62 1sn6 h ASP 52 N -0.08 0.58 1.40 0.57 3.32 -1.39 0.47 116.42 121.30 1sn6 h ASP 52 Ca 0.31 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 1sn6 h ASP 52 Cb 0.57 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1sn6 h ASP 52 CO -0.80 0.29 -0.62 0.74 -1.72 0.00 0.00 179.24 177.13 1sn6 h THR 53 N 0.61 0.66 -2.33 0.35 2.02 0.47 -3.38 112.91 111.30 1sn6 h THR 53 Ca 0.43 -1.97 -0.59 0.00 0.77 0.00 0.00 66.41 65.05 1sn6 h THR 53 Cb 0.78 2.26 -0.40 0.00 -1.74 0.00 0.00 68.15 69.05 1sn6 h THR 53 CO -0.19 0.37 -0.84 -1.22 0.37 0.00 0.00 175.52 174.01 1sn6 n TYR 54 N -3.13 1.26 0.14 3.16 4.02 1.11 -4.80 117.16 118.92 1sn6 n TYR 54 Ca 0.00 -3.80 0.00 0.00 -0.01 0.00 0.00 57.90 54.09 1sn6 n TYR 54 Cb 0.72 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1sn6 n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sn6 n GLY 55 N 1.67 -0.31 0.14 2.72 0.00 0.38 -4.45 105.19 105.34 1sn6 n GLY 55 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1sn6 n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 4.64 -1.85 -3.34 113.55 114.61 1sn6 h SER 56 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sn6 h SER 56 CO 0.00 0.02 0.00 -1.20 -0.87 0.00 0.00 176.83 174.78 1sn6 n SER 57 N -2.69 0.00 -0.13 4.97 7.64 -1.26 -2.77 113.62 119.37 1sn6 n SER 57 Ca 0.02 0.17 0.07 0.00 1.01 0.00 0.00 58.87 60.15 1sn6 n SER 57 Cb 0.52 -0.43 0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1sn6 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sn6 n ILE 58 N -2.13 -0.16 -0.04 0.44 3.06 -1.26 0.24 119.36 119.51 1sn6 n ILE 58 Ca 0.00 0.83 -0.15 0.00 -2.50 0.00 0.00 62.75 60.93 1sn6 n ILE 58 Cb 0.00 -1.24 -0.13 0.00 0.54 0.00 0.00 39.64 38.81 1sn6 n ILE 58 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1sn6 h LEU 59 N 0.00 0.09 -0.08 9.51 3.38 -1.76 -3.22 115.31 123.23 1sn6 h LEU 59 Ca 0.25 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1sn6 h LEU 59 Cb 0.57 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1sn6 h LEU 59 CO -0.35 1.03 0.00 -1.20 0.09 0.00 0.00 178.44 178.01 1sn6 n SER 60 N -4.54 0.12 -0.11 -0.43 7.64 0.66 -4.07 113.62 112.89 1sn6 n SER 60 Ca -0.10 -1.20 -0.16 0.00 1.01 0.00 0.00 58.87 58.41 1sn6 n SER 60 Cb 0.52 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1sn6 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sn6 n ILE 61 N -0.83 1.50 0.00 0.44 0.00 0.58 -4.26 119.36 116.80 1sn6 n ILE 61 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 62.75 62.91 1sn6 n ILE 61 Cb 0.11 -2.18 0.00 0.00 0.00 0.00 0.00 39.64 37.57 1sn6 n ILE 61 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sn6 n LEU 62 N -4.40 0.00 -0.12 9.51 4.77 -1.22 -2.39 117.00 123.15 1sn6 n LEU 62 Ca -0.28 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.44 1sn6 n LEU 62 Cb 0.63 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1sn6 n LEU 62 CO 0.14 0.00 -1.07 0.18 -1.33 0.00 0.00 177.39 175.31 1sn6 n LEU 63 N -0.77 1.95 0.06 2.23 4.77 -1.26 -4.64 117.00 119.34 1sn6 n LEU 63 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1sn6 n LEU 63 Cb 0.00 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1sn6 n LEU 63 CO 0.00 0.47 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.82 1sn6 n GLU 64 N -4.29 0.00 0.07 3.23 -0.58 -1.00 -4.69 120.64 113.37 1sn6 n GLU 64 Ca -0.45 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.31 1sn6 n GLU 64 Cb 0.81 -0.26 0.14 0.00 -0.57 0.00 0.00 31.44 31.56 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sn6 n GLU 65 N -3.23 0.03 -3.80 3.49 -0.58 -1.20 -4.11 120.64 111.24 1sn6 n GLU 65 Ca 0.00 0.39 -0.14 0.00 -0.42 0.00 0.00 57.16 56.99 1sn6 n GLU 65 Cb 0.09 -1.90 -0.15 0.00 -0.57 0.00 0.00 31.44 28.92 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sn6 s VAL 66 N -2.85 -0.03 0.50 2.62 1.01 -1.03 -5.01 120.40 115.61 1sn6 s VAL 66 Ca -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1sn6 s VAL 66 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1sn6 s VAL 66 CO 0.05 0.05 0.82 -0.55 0.00 0.00 0.00 175.10 175.46 1sn6 s SER 67 N 0.67 6.21 0.15 3.32 0.15 -1.26 -4.01 113.70 118.93 1sn6 s SER 67 Ca -0.05 0.96 -0.17 0.00 0.70 0.00 0.00 55.95 57.38 1sn6 s SER 67 Cb -0.08 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1sn6 s SER 67 CO -0.02 -0.64 1.79 1.55 1.20 0.00 0.00 173.24 177.11 1sn6 h PRO 68 N 0.14 0.38 -0.84 5.44 0.13 -1.86 -2.48 132.00 132.92 1sn6 h PRO 68 Ca -0.47 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1sn6 h PRO 68 Cb 1.21 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1sn6 h PRO 68 CO 0.62 0.25 0.55 1.49 -0.23 0.00 0.00 178.00 180.68 1sn6 h GLU 69 N 0.39 1.07 -0.29 0.86 4.57 -1.90 -2.44 114.58 116.85 1sn6 h GLU 69 Ca 0.13 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1sn6 h GLU 69 Cb 0.00 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 28.29 1sn6 h GLU 69 CO -0.06 0.71 -0.09 1.25 -1.18 0.00 0.00 179.01 179.64 1sn6 h LEU 70 N 1.11 -0.32 -0.75 1.64 5.85 -1.83 -1.65 115.31 119.35 1sn6 h LEU 70 Ca 0.32 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.27 1sn6 h LEU 70 Cb -0.09 0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.00 1sn6 h LEU 70 CO -0.08 -0.12 -0.24 0.58 -0.34 0.00 0.00 178.44 178.24 1sn6 h VAL 71 N -0.03 0.19 -1.04 1.05 2.07 -1.17 2.02 116.25 119.35 1sn6 h VAL 71 Ca 0.14 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.94 1sn6 h VAL 71 Cb 0.24 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 1sn6 h VAL 71 CO -0.31 0.00 0.69 0.00 0.02 0.00 0.00 177.57 177.97 1sn6 h SER 73 N 0.28 -0.43 -0.73 0.00 0.87 0.33 0.20 113.55 114.07 1sn6 h SER 73 Ca 0.55 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 61.17 1sn6 h SER 73 Cb 1.63 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 63.60 1sn6 h SER 73 CO -0.19 0.02 0.21 0.24 -0.53 0.00 0.00 176.83 176.57 1sn6 h MET 74 N -1.03 0.30 0.00 2.24 2.86 0.54 0.88 114.93 120.72 1sn6 h MET 74 Ca -0.05 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1sn6 h MET 74 Cb 0.50 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1sn6 h MET 74 CO 0.08 0.20 -0.20 -0.07 1.06 0.00 0.00 176.91 177.98 1sn6 h LEU 75 N 0.31 0.00 -0.26 1.22 3.38 0.40 -3.46 115.31 116.90 1sn6 h LEU 75 Ca 0.41 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.12 1sn6 h LEU 75 Cb 0.68 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.49 1sn6 h LEU 75 CO -0.47 0.20 -0.41 1.57 0.09 0.00 0.00 178.44 179.42 1sn6 n HIS 76 N -3.86 -1.56 0.65 1.13 -0.00 0.31 -4.88 115.22 107.01 1sn6 n HIS 76 Ca -0.02 0.50 0.11 0.00 0.46 0.00 0.00 57.72 58.77 1sn6 n HIS 76 Cb 0.30 -3.40 0.45 0.00 -0.12 0.00 0.00 29.99 27.21 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sn6 n LEU 77 N -3.02 0.25 -2.20 0.27 4.77 -0.92 -3.17 117.00 112.99 1sn6 n LEU 77 Ca -0.03 0.54 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 1sn6 n LEU 77 Cb 0.56 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1sn6 n LEU 77 CO 0.36 -0.23 0.88 0.00 -1.33 0.00 0.00 177.39 177.07 1sn6 s SER 79 N -2.62 4.68 0.02 0.00 1.04 -1.19 -4.71 113.70 110.93 1sn6 s SER 79 Ca 0.59 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 1sn6 s SER 79 Cb 0.46 -2.55 -0.28 0.00 0.10 0.00 0.00 66.02 63.76 1sn6 s SER 79 CO 0.01 -3.08 0.94 1.23 0.98 0.00 0.00 173.24 173.32 1sn6 h GLY 80 N 19.36 0.31 -0.04 7.32 0.00 -1.94 -3.47 103.07 124.61 1sn6 h GLY 80 Ca -0.02 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.36 1sn6 h GLY 80 CO 1.14 0.69 -0.12 1.47 0.00 0.00 0.00 176.54 179.72 1sn6 n LEU 81 N -3.49 0.00 -4.70 3.11 -0.00 -1.26 -5.09 117.00 105.57 1sn6 n LEU 81 Ca -0.14 -0.80 -0.42 0.00 -0.00 0.00 0.00 56.01 54.65 1sn6 n LEU 81 Cb 1.04 0.08 -0.03 0.00 -0.00 0.00 0.00 43.42 44.51 1sn6 n LEU 81 CO 0.52 -0.13 0.65 0.68 -0.00 0.00 0.00 177.39 179.11 1sn6 s VAL 82 N -1.39 4.88 0.37 1.47 -7.23 -1.26 -4.98 120.40 112.26 1sn6 s VAL 82 Ca 0.01 1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 61.84 1sn6 s VAL 82 Cb -0.00 -4.26 -0.12 0.00 0.56 0.00 0.00 36.38 32.56 1sn6 s VAL 82 CO 0.00 0.13 0.99 -2.65 -0.31 0.00 0.00 175.10 173.26 1sn6 n PRO 83 N 4.25 1.33 0.00 4.82 -0.02 -1.26 -5.20 135.00 138.92 1sn6 n PRO 83 Ca 0.05 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 62.17 1sn6 n PRO 83 Cb 0.50 -1.95 0.92 0.00 -0.02 0.00 0.00 33.50 32.95 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02