#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 4.12 0.12 6.43 9.92 -1.26 -3.80 116.55 132.07 1sn6 n ASP 2 Ca 0.00 -2.09 0.10 0.00 -0.53 0.00 0.00 54.79 52.27 1sn6 n ASP 2 Cb 0.00 -0.88 0.02 0.00 -0.64 0.00 0.00 41.12 39.62 1sn6 n ASP 2 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1sn6 h VAL 3 N 1.27 0.06 0.00 2.53 3.04 -2.00 -3.29 116.25 117.86 1sn6 h VAL 3 Ca 0.01 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 1sn6 h VAL 3 Cb 0.79 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1sn6 h VAL 3 CO 0.01 0.03 0.00 1.88 -1.01 0.00 0.00 177.57 178.49 1sn6 h TYR 4 N 0.00 0.00 -0.49 3.17 0.05 -1.87 -0.76 116.97 117.08 1sn6 h TYR 4 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1sn6 h TYR 4 Cb 1.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1sn6 h TYR 4 CO 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 178.16 177.06 1sn6 h GLU 6 N 0.78 0.00 0.08 0.00 4.39 -1.39 -2.73 114.58 115.71 1sn6 h GLU 6 Ca 0.14 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.54 1sn6 h GLU 6 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1sn6 h GLU 6 CO 0.03 0.73 -1.59 0.28 -1.16 0.00 0.00 179.01 177.30 1sn6 h VAL 7 N 0.00 1.06 0.00 3.13 2.07 -1.24 -2.80 116.25 118.46 1sn6 h VAL 7 Ca -0.07 -2.76 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 1sn6 h VAL 7 Cb 1.70 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 34.12 1sn6 h VAL 7 CO 0.10 0.76 -0.15 0.00 0.02 0.00 0.00 177.57 178.31 1sn6 n GLU 9 N -3.10 0.63 0.07 0.00 1.02 -1.03 -2.58 120.64 115.65 1sn6 n GLU 9 Ca 0.03 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1sn6 n GLU 9 Cb 0.57 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 1sn6 n GLU 9 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sn6 h PHE 10 N 0.00 0.26 0.04 -0.32 3.57 -1.54 -2.78 116.94 116.17 1sn6 h PHE 10 Ca -0.20 -0.19 -0.18 0.00 3.53 0.00 0.00 57.97 60.93 1sn6 h PHE 10 Cb 1.64 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1sn6 h PHE 10 CO 0.00 1.16 -0.95 -0.07 -2.23 0.00 0.00 178.31 176.23 1sn6 h LEU 11 N 0.04 0.12 -1.72 0.59 3.38 -1.64 -2.68 115.31 113.40 1sn6 h LEU 11 Ca -0.11 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.07 1sn6 h LEU 11 Cb 1.90 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1sn6 h LEU 11 CO 0.16 1.39 -0.17 0.58 0.09 0.00 0.00 178.44 180.50 1sn6 h VAL 12 N -0.78 0.99 0.14 1.22 2.07 -1.66 -0.00 116.25 118.24 1sn6 h VAL 12 Ca -0.23 -0.59 -0.30 0.00 0.82 0.00 0.00 66.70 66.40 1sn6 h VAL 12 Cb 1.36 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1sn6 h VAL 12 CO -0.06 0.16 -1.40 0.50 0.02 0.00 0.00 177.57 176.78 1sn6 h LYS 13 N 0.00 0.31 0.40 1.57 3.64 -1.62 -2.96 116.57 117.91 1sn6 h LYS 13 Ca -0.00 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1sn6 h LYS 13 Cb 0.32 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1sn6 h LYS 13 CO 0.02 1.21 -0.19 1.49 -2.27 0.00 0.00 179.45 179.71 1sn6 h GLU 14 N 0.08 -0.52 -1.03 1.90 4.81 -1.10 -2.85 114.58 115.88 1sn6 h GLU 14 Ca -0.20 0.04 0.34 0.00 -0.13 0.00 0.00 59.36 59.41 1sn6 h GLU 14 Cb 2.02 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 31.37 1sn6 h GLU 14 CO 0.20 -0.34 0.59 -0.24 -0.73 0.00 0.00 179.01 178.49 1sn6 h VAL 15 N -1.06 0.25 -0.61 0.32 3.04 -1.17 2.07 116.25 119.10 1sn6 h VAL 15 Ca -0.05 -0.09 0.08 0.00 -1.01 0.00 0.00 66.70 65.62 1sn6 h VAL 15 Cb 0.41 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 29.59 1sn6 h VAL 15 CO 0.09 0.05 0.27 0.71 -1.01 0.00 0.00 177.57 177.67 1sn6 h THR 16 N 0.27 0.84 -1.16 3.17 1.35 -1.44 1.09 112.91 117.01 1sn6 h THR 16 Ca 0.75 -0.17 0.34 0.00 -0.55 0.00 0.00 66.41 66.79 1sn6 h THR 16 Cb 1.82 0.31 -0.10 0.00 -1.73 0.00 0.00 68.15 68.45 1sn6 h THR 16 CO -0.60 0.09 0.75 0.11 -0.25 0.00 0.00 175.52 175.62 1sn6 h LYS 17 N 0.48 0.24 0.00 4.72 1.79 0.36 2.91 116.57 127.07 1sn6 h LYS 17 Ca 0.30 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.57 1sn6 h LYS 17 Cb 0.31 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1sn6 h LYS 17 CO -0.26 0.16 -1.26 1.28 -1.08 0.00 0.00 179.45 178.29 1sn6 n LEU 18 N -4.63 1.88 0.10 2.94 4.77 0.55 -4.03 117.00 118.58 1sn6 n LEU 18 Ca 0.30 0.46 0.20 0.00 -0.03 0.00 0.00 56.01 56.94 1sn6 n LEU 18 Cb 1.12 -0.88 0.74 0.00 -2.33 0.00 0.00 43.42 42.08 1sn6 n LEU 18 CO 0.24 0.04 1.18 0.40 -1.33 0.00 0.00 177.39 177.92 1sn6 h ILE 19 N -1.00 0.34 -0.47 -0.08 2.04 0.17 -0.14 117.51 118.37 1sn6 h ILE 19 Ca -0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.67 1sn6 h ILE 19 Cb 1.09 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.71 1sn6 h ILE 19 CO -0.16 0.00 -0.42 -0.78 0.00 0.00 0.00 178.15 176.79 1sn6 h ASP 20 N 0.00 -1.41 -0.27 1.72 3.58 0.51 -3.37 116.42 117.17 1sn6 h ASP 20 Ca 0.19 0.23 -0.27 0.00 0.42 0.00 0.00 57.03 57.60 1sn6 h ASP 20 Cb 1.09 0.63 -0.19 0.00 1.72 0.00 0.00 39.33 42.59 1sn6 h ASP 20 CO -0.00 -0.35 -0.54 0.59 -2.88 0.00 0.00 179.24 176.06 1sn6 n ASN 21 N -5.41 -1.69 -0.06 2.28 4.13 -0.62 -4.96 115.26 108.93 1sn6 n ASN 21 Ca 0.00 -3.25 -0.12 0.00 1.68 0.00 0.00 54.58 52.90 1sn6 n ASN 21 Cb 0.35 1.29 -0.04 0.00 -1.54 0.00 0.00 39.78 39.83 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 0.07 1.15 -4.12 6.41 5.03 -0.16 -4.96 115.26 118.68 1sn6 n ASN 22 Ca 0.06 0.11 -0.33 0.00 0.87 0.00 0.00 54.58 55.29 1sn6 n ASN 22 Cb 0.74 -0.31 -0.16 0.00 -1.02 0.00 0.00 39.78 39.03 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 -2.21 2.94 0.00 3.52 0.00 -1.26 -5.08 119.74 117.65 1sn6 s LYS 23 Ca -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 54.95 1sn6 s LYS 23 Cb 0.06 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.27 1sn6 s LYS 23 CO 0.21 -0.24 0.00 0.25 0.00 0.00 0.00 175.35 175.56 1sn6 n THR 24 N 4.61 0.00 1.14 3.79 -2.24 -1.26 -4.94 114.28 115.38 1sn6 n THR 24 Ca -0.20 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1sn6 n THR 24 Cb 0.49 -1.68 0.09 0.00 -2.10 0.00 0.00 70.33 67.13 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 -0.99 1.61 -0.04 -0.78 4.71 -1.26 -3.84 120.64 120.05 1sn6 n GLU 25 Ca 0.00 -0.74 -0.19 0.00 -0.01 0.00 0.00 57.16 56.22 1sn6 n GLU 25 Cb 0.00 -1.30 -0.13 0.00 -1.01 0.00 0.00 31.44 29.00 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 1.12 0.12 0.00 3.49 6.56 -2.00 -3.00 116.57 122.86 1sn6 h LYS 26 Ca 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1sn6 h LYS 26 Cb 0.43 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1sn6 h LYS 26 CO 0.04 1.10 0.00 0.39 -2.06 0.00 0.00 179.45 178.91 1sn6 n GLU 27 N -4.28 0.09 0.00 3.15 -0.58 -1.25 -2.78 120.64 114.99 1sn6 n GLU 27 Ca -0.21 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1sn6 n GLU 27 Cb 0.71 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sn6 n ILE 28 N -1.80 0.00 -0.17 -3.67 2.08 -1.24 -2.50 119.36 112.06 1sn6 n ILE 28 Ca 0.04 0.34 0.29 0.00 0.56 0.00 0.00 62.75 63.99 1sn6 n ILE 28 Cb 0.26 -1.10 0.67 0.00 -0.75 0.00 0.00 39.64 38.72 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 -0.12 1.39 3.38 -1.65 1.76 115.31 120.07 1sn6 h LEU 29 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1sn6 h LEU 29 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sn6 h LEU 29 CO 0.00 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.47 1sn6 h ASP 30 N 0.00 0.65 -0.16 -0.43 5.19 -1.66 -3.00 116.42 117.01 1sn6 h ASP 30 Ca 0.44 -0.63 0.05 0.00 -0.62 0.00 0.00 57.03 56.27 1sn6 h ASP 30 Cb 2.15 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 41.40 1sn6 h ASP 30 CO -0.00 1.17 -0.40 0.00 -3.12 0.00 0.00 179.24 176.88 1sn6 h ALA 31 N 0.50 -0.53 -1.07 3.45 0.00 0.30 0.59 119.26 122.49 1sn6 h ALA 31 Ca -0.03 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.18 1sn6 h ALA 31 Cb 1.14 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.59 1sn6 h ALA 31 CO 0.11 -0.89 0.68 0.74 0.00 0.00 0.00 179.25 179.88 1sn6 h PHE 32 N -0.46 0.67 0.00 0.00 -1.00 -1.41 3.18 116.94 117.92 1sn6 h PHE 32 Ca 0.09 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1sn6 h PHE 32 Cb 0.61 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1sn6 h PHE 32 CO -0.48 0.01 0.26 0.22 -1.61 0.00 0.00 178.31 176.71 1sn6 h ASP 33 N 0.36 0.00 0.00 2.17 1.82 0.33 0.77 116.42 121.87 1sn6 h ASP 33 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 1sn6 h ASP 33 Cb 1.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1sn6 h ASP 33 CO -0.34 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 177.58 1sn6 n LYS 34 N -2.60 0.00 -0.13 0.28 4.01 1.05 -4.22 118.16 116.55 1sn6 n LYS 34 Ca -0.02 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.71 1sn6 n LYS 34 Cb 0.30 -0.42 0.01 0.00 -0.51 0.00 0.00 35.03 34.40 1sn6 n LYS 34 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 1sn6 h MET 35 N 0.00 0.52 -0.44 1.97 2.86 -1.39 0.97 114.93 119.42 1sn6 h MET 35 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1sn6 h MET 35 Cb 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1sn6 h MET 35 CO 0.00 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.32 1sn6 n SER 37 N -0.10 1.88 0.25 0.00 3.41 0.33 -4.26 113.62 115.13 1sn6 n SER 37 Ca 0.00 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.17 1sn6 n SER 37 Cb 0.11 -0.91 0.55 0.00 -0.26 0.00 0.00 64.21 63.70 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1sn6 h LYS 38 N -1.00 0.00 -6.30 4.33 2.10 -1.60 -3.46 116.57 110.65 1sn6 h LYS 38 Ca -0.39 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.66 1sn6 h LYS 38 Cb 1.29 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.77 1sn6 h LYS 38 CO -0.23 0.10 -0.54 -0.11 -2.00 0.00 0.00 179.45 176.67 1sn6 n LEU 39 N -3.22 -0.54 -4.72 7.07 7.94 -1.23 -4.79 117.00 117.51 1sn6 n LEU 39 Ca 0.01 0.83 -0.43 0.00 -1.11 0.00 0.00 56.01 55.31 1sn6 n LEU 39 Cb 0.38 -1.07 -0.02 0.00 0.53 0.00 0.00 43.42 43.24 1sn6 n LEU 39 CO 0.30 -3.27 1.16 -2.65 -1.11 0.00 0.00 177.39 171.83 1sn6 n PRO 40 N 0.62 2.48 -0.33 1.96 -0.02 -1.26 -4.54 135.00 133.91 1sn6 n PRO 40 Ca 0.11 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.50 1sn6 n PRO 40 Cb 0.42 -2.62 0.09 0.00 -0.02 0.00 0.00 33.50 31.37 1sn6 n PRO 40 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sn6 n LYS 41 N 2.05 -0.13 0.01 -0.52 4.81 -1.26 0.80 118.16 123.91 1sn6 n LYS 41 Ca 0.09 1.40 -0.12 0.00 -0.87 0.00 0.00 58.31 58.82 1sn6 n LYS 41 Cb 0.35 -2.09 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 1sn6 n LYS 41 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sn6 h SER 42 N 0.00 -1.31 0.25 3.14 0.02 -2.00 0.59 113.55 114.24 1sn6 h SER 42 Ca 0.39 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1sn6 h SER 42 Cb 0.61 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1sn6 h SER 42 CO -0.92 -0.38 -0.01 0.18 -1.14 0.00 0.00 176.83 174.57 1sn6 n LEU 43 N -4.75 0.07 0.07 5.07 4.32 -0.30 -2.68 117.00 118.81 1sn6 n LEU 43 Ca -0.05 0.10 -0.04 0.00 -0.02 0.00 0.00 56.01 56.01 1sn6 n LEU 43 Cb 0.29 -0.12 -0.08 0.00 -1.62 0.00 0.00 43.42 41.89 1sn6 n LEU 43 CO 0.07 0.01 0.08 0.77 -1.22 0.00 0.00 177.39 177.10 1sn6 h SER 44 N 0.10 0.00 0.84 -1.43 4.64 0.21 0.14 113.55 118.06 1sn6 h SER 44 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1sn6 h SER 44 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1sn6 h SER 44 CO 0.00 0.80 -0.99 -0.33 -0.87 0.00 0.00 176.83 175.43 1sn6 h GLU 45 N 0.00 0.08 0.00 4.77 4.39 -0.74 -2.96 114.58 120.12 1sn6 h GLU 45 Ca -0.07 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 1sn6 h GLU 45 Cb 1.67 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.34 1sn6 h GLU 45 CO 0.09 1.00 -0.91 0.93 -1.16 0.00 0.00 179.01 178.96 1sn6 h GLU 46 N 0.03 0.00 0.00 2.33 5.08 -1.47 -2.56 114.58 117.99 1sn6 h GLU 46 Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1sn6 h GLU 46 Cb 1.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1sn6 h GLU 46 CO 0.14 0.29 -0.56 0.00 -1.00 0.00 0.00 179.01 177.88 1sn6 n GLN 48 N -3.49 0.61 -0.03 0.00 1.13 -1.12 -2.94 117.38 111.54 1sn6 n GLN 48 Ca 0.00 0.15 -0.15 0.00 -1.94 0.00 0.00 57.00 55.06 1sn6 n GLN 48 Cb 0.65 -1.82 -0.09 0.00 0.11 0.00 0.00 30.24 29.09 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 0.43 -0.40 -1.09 4.57 -1.24 -3.03 114.58 113.82 1sn6 h GLU 49 Ca -0.05 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.69 1sn6 h GLU 49 Cb 1.19 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1sn6 h GLU 49 CO 0.02 0.97 -0.12 -0.24 -1.18 0.00 0.00 179.01 178.46 1sn6 h VAL 50 N -0.02 1.28 -0.70 0.32 3.04 -1.39 -2.89 116.25 115.89 1sn6 h VAL 50 Ca -0.02 -1.22 0.14 0.00 -1.01 0.00 0.00 66.70 64.58 1sn6 h VAL 50 Cb 1.04 1.24 -0.13 0.00 -2.01 0.00 0.00 31.29 31.43 1sn6 h VAL 50 CO 0.08 0.41 -0.14 0.58 -1.01 0.00 0.00 177.57 177.49 1sn6 h VAL 51 N 0.60 0.32 -0.74 1.51 2.07 -1.55 4.05 116.25 122.50 1sn6 h VAL 51 Ca 0.10 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.75 1sn6 h VAL 51 Cb 0.65 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1sn6 h VAL 51 CO 0.04 0.00 0.49 -0.78 0.02 0.00 0.00 177.57 177.35 1sn6 h ASP 52 N 0.02 0.43 1.32 0.57 1.82 -1.39 0.52 116.42 119.70 1sn6 h ASP 52 Ca 0.34 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.92 1sn6 h ASP 52 Cb 0.54 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1sn6 h ASP 52 CO -0.70 0.23 -0.71 0.74 -1.61 0.00 0.00 179.24 177.19 1sn6 h THR 53 N 0.46 0.44 -2.68 2.25 2.02 0.53 -3.39 112.91 112.53 1sn6 h THR 53 Ca 0.36 -1.68 -0.60 0.00 0.77 0.00 0.00 66.41 65.25 1sn6 h THR 53 Cb 0.75 2.07 -0.40 0.00 -1.74 0.00 0.00 68.15 68.83 1sn6 h THR 53 CO -0.12 0.25 -0.80 -0.31 0.37 0.00 0.00 175.52 174.91 1sn6 s TYR 54 N -3.08 2.19 0.00 3.16 1.51 1.12 -4.88 117.35 117.37 1sn6 s TYR 54 Ca 0.02 -2.78 0.00 0.00 -1.01 0.00 0.00 57.07 53.30 1sn6 s TYR 54 Cb 0.08 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1sn6 s TYR 54 CO 0.75 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1sn6 n GLY 55 N 2.45 0.35 0.29 0.71 0.00 -0.17 -4.39 105.19 104.42 1sn6 n GLY 55 Ca 0.25 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.47 1sn6 n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 0.87 -1.87 -2.04 113.55 112.12 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sn6 h SER 56 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1sn6 n SER 57 N -2.53 0.00 -0.11 6.23 7.64 -1.26 -2.83 113.62 120.76 1sn6 n SER 57 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.92 1sn6 n SER 57 Cb 0.59 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.87 -0.13 0.01 0.44 3.06 -1.18 0.24 119.36 120.92 1sn6 n ILE 58 Ca 0.00 0.69 -0.11 0.00 -2.50 0.00 0.00 62.75 60.83 1sn6 n ILE 58 Cb 0.00 -1.02 -0.08 0.00 0.54 0.00 0.00 39.64 39.07 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 -0.11 -0.05 9.51 3.38 -1.59 -3.26 115.31 123.20 1sn6 h LEU 59 Ca 0.20 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1sn6 h LEU 59 Cb 0.43 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sn6 h LEU 59 CO -0.29 0.52 0.00 -0.24 0.09 0.00 0.00 178.44 178.52 1sn6 n SER 60 N -4.84 0.08 0.05 -0.43 2.88 0.58 -4.15 113.62 107.78 1sn6 n SER 60 Ca -0.08 -1.10 -0.02 0.00 -1.33 0.00 0.00 58.87 56.34 1sn6 n SER 60 Cb 0.28 -0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 1sn6 n SER 60 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1sn6 h ILE 61 N 0.12 0.00 0.00 2.46 -0.00 0.31 -3.17 117.51 117.23 1sn6 h ILE 61 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 1sn6 h ILE 61 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.84 1sn6 h ILE 61 CO 0.00 0.00 0.47 0.18 -0.00 0.00 0.00 178.15 178.80 1sn6 n LEU 62 N -2.86 0.13 -0.08 2.19 4.77 -1.26 -1.66 117.00 118.22 1sn6 n LEU 62 Ca -0.02 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1sn6 n LEU 62 Cb 0.06 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1sn6 n LEU 62 CO 0.04 -0.38 -0.05 -0.07 -1.33 0.00 0.00 177.39 175.61 1sn6 h LEU 63 N 0.00 0.00 0.00 2.23 4.07 -1.74 -3.41 115.31 116.46 1sn6 h LEU 63 Ca 0.00 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1sn6 h LEU 63 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1sn6 h LEU 63 CO 0.00 1.05 -0.14 -0.62 -1.08 0.00 0.00 178.44 177.65 1sn6 n GLU 64 N -4.58 0.00 0.19 1.13 -0.58 -0.66 -4.76 120.64 111.37 1sn6 n GLU 64 Ca -0.15 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.62 1sn6 n GLU 64 Cb 0.44 -0.25 0.19 0.00 -0.57 0.00 0.00 31.44 31.25 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1sn6 h GLU 65 N 0.00 0.00 -2.65 3.49 4.39 -1.71 -3.35 114.58 114.75 1sn6 h GLU 65 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1sn6 h GLU 65 Cb 0.14 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.51 1sn6 h GLU 65 CO 0.00 0.00 -0.35 0.54 -1.16 0.00 0.00 179.01 178.04 1sn6 s VAL 66 N -3.26 -0.26 0.59 3.13 0.11 -1.16 -5.03 120.40 114.52 1sn6 s VAL 66 Ca -0.01 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.01 1sn6 s VAL 66 Cb 0.02 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1sn6 s VAL 66 CO 0.06 0.06 1.08 -0.44 -3.33 0.00 0.00 175.10 172.53 1sn6 s SER 67 N 1.87 5.63 0.23 3.54 0.01 -1.26 -4.32 113.70 119.40 1sn6 s SER 67 Ca -0.06 1.94 -0.07 0.00 1.31 0.00 0.00 55.95 59.06 1sn6 s SER 67 Cb -0.10 -2.55 0.27 0.00 0.21 0.00 0.00 66.02 63.85 1sn6 s SER 67 CO -0.12 -1.27 1.85 1.55 0.41 0.00 0.00 173.24 175.65 1sn6 h PRO 68 N 0.56 0.88 -0.32 12.44 0.13 -1.87 -2.28 132.00 141.54 1sn6 h PRO 68 Ca -0.48 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1sn6 h PRO 68 Cb 1.23 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1sn6 h PRO 68 CO 0.56 0.58 -0.07 1.05 -0.23 0.00 0.00 178.00 179.89 1sn6 h GLU 69 N 0.90 0.51 -0.28 0.86 4.11 -1.91 -2.71 114.58 116.06 1sn6 h GLU 69 Ca 0.33 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 1sn6 h GLU 69 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1sn6 h GLU 69 CO -0.15 0.59 0.14 1.25 0.07 0.00 0.00 179.01 180.92 1sn6 h LEU 70 N 0.48 0.36 -0.83 3.06 5.85 -1.78 -2.66 115.31 119.79 1sn6 h LEU 70 Ca 0.10 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1sn6 h LEU 70 Cb 0.42 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.22 1sn6 h LEU 70 CO 0.02 0.36 -0.34 0.58 -0.34 0.00 0.00 178.44 178.72 1sn6 h VAL 71 N 0.33 0.08 -0.97 1.05 2.07 -1.28 1.90 116.25 119.43 1sn6 h VAL 71 Ca 0.10 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.88 1sn6 h VAL 71 Cb 0.09 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 29.81 1sn6 h VAL 71 CO -0.01 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.10 1sn6 h SER 73 N 0.45 -0.81 -0.76 0.00 0.87 0.30 -2.31 113.55 111.28 1sn6 h SER 73 Ca 0.64 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 61.37 1sn6 h SER 73 Cb 1.30 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 63.37 1sn6 h SER 73 CO -0.54 -0.46 0.26 0.24 -0.53 0.00 0.00 176.83 175.80 1sn6 h MET 74 N -1.17 0.36 0.00 2.24 2.86 0.59 1.88 114.93 121.69 1sn6 h MET 74 Ca -0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1sn6 h MET 74 Cb 0.76 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1sn6 h MET 74 CO 0.16 0.24 0.00 1.28 1.06 0.00 0.00 176.91 179.65 1sn6 n LEU 75 N -5.07 0.00 -4.22 1.22 4.77 0.26 -4.78 117.00 109.18 1sn6 n LEU 75 Ca 0.15 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.77 1sn6 n LEU 75 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1sn6 n LEU 75 CO 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 176.09 1sn6 n HIS 76 N -0.93 -1.33 0.05 -1.77 1.44 0.64 -4.76 115.22 108.56 1sn6 n HIS 76 Ca 0.05 0.60 -0.02 0.00 -2.01 0.00 0.00 57.72 56.34 1sn6 n HIS 76 Cb 0.02 -1.83 -0.07 0.00 0.12 0.00 0.00 29.99 28.23 1sn6 n HIS 76 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1sn6 h LEU 77 N -0.79 0.00 -2.13 2.39 3.38 -1.68 -3.30 115.31 113.18 1sn6 h LEU 77 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1sn6 h LEU 77 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1sn6 h LEU 77 CO 0.76 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.98 1sn6 n SER 79 N 1.33 3.83 -0.02 0.00 3.41 -1.24 -4.62 113.62 116.30 1sn6 n SER 79 Ca 0.16 -2.83 -0.13 0.00 -0.26 0.00 0.00 58.87 55.81 1sn6 n SER 79 Cb 0.57 -1.62 -0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sn6 h GLY 80 N 10.59 0.74 -0.26 5.00 0.00 -1.90 -3.45 103.07 113.79 1sn6 h GLY 80 Ca 0.55 -0.93 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 1sn6 h GLY 80 CO 1.86 0.83 -0.09 1.47 0.00 0.00 0.00 176.54 180.61 1sn6 n LEU 81 N -3.95 0.00 -4.71 3.11 -0.00 -1.26 -5.07 117.00 105.11 1sn6 n LEU 81 Ca -0.05 -0.89 -0.42 0.00 -0.00 0.00 0.00 56.01 54.66 1sn6 n LEU 81 Cb 0.66 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 44.04 1sn6 n LEU 81 CO 0.49 -0.35 0.66 0.68 -0.00 0.00 0.00 177.39 178.87 1sn6 s VAL 82 N -0.86 4.88 -0.40 1.47 -7.23 -1.26 -4.90 120.40 112.10 1sn6 s VAL 82 Ca 0.09 2.01 -0.42 0.00 -1.81 0.00 0.00 61.98 61.85 1sn6 s VAL 82 Cb -0.01 -4.30 -0.17 0.00 0.56 0.00 0.00 36.38 32.47 1sn6 s VAL 82 CO 0.06 0.17 1.92 -2.65 -0.31 0.00 0.00 175.10 174.29 1sn6 n PRO 83 N 3.87 0.57 0.00 4.82 -0.02 -1.26 -5.17 135.00 137.81 1sn6 n PRO 83 Ca 0.05 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1sn6 n PRO 83 Cb 0.51 -1.88 0.73 0.00 -0.02 0.00 0.00 33.50 32.83 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02