#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 3.67 -0.10 6.43 9.92 -1.26 -4.12 116.55 131.08 1sn6 n ASP 2 Ca 0.00 -2.18 -0.22 0.00 -0.53 0.00 0.00 54.79 51.85 1sn6 n ASP 2 Cb 0.00 -0.99 -0.11 0.00 -0.64 0.00 0.00 41.12 39.37 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1sn6 n VAL 3 N 2.64 1.54 -0.07 2.53 0.31 -1.26 -3.98 118.33 120.04 1sn6 n VAL 3 Ca 0.30 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1sn6 n VAL 3 Cb 0.64 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 1sn6 n VAL 3 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1sn6 h TYR 4 N -0.98 0.43 -0.76 3.52 -1.99 -1.96 -2.50 116.97 112.73 1sn6 h TYR 4 Ca -0.38 -0.10 0.18 0.00 2.00 0.00 0.00 58.73 60.43 1sn6 h TYR 4 Cb 1.34 -0.10 -0.13 0.00 2.00 0.00 0.00 36.73 39.84 1sn6 h TYR 4 CO 0.08 0.65 0.04 0.00 -0.00 0.00 0.00 178.16 178.94 1sn6 h GLU 6 N 0.13 -0.04 0.32 0.00 5.08 -1.66 -1.93 114.58 116.48 1sn6 h GLU 6 Ca 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1sn6 h GLU 6 Cb 0.76 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1sn6 h GLU 6 CO -0.65 0.13 -0.15 0.28 -1.00 0.00 0.00 179.01 177.62 1sn6 h VAL 7 N -0.20 0.00 0.00 3.13 2.07 -0.50 -2.53 116.25 118.22 1sn6 h VAL 7 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1sn6 h VAL 7 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1sn6 h VAL 7 CO 0.01 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.05 1sn6 h GLU 9 N 0.00 0.24 0.00 0.00 4.81 -0.91 -3.03 114.58 115.69 1sn6 h GLU 9 Ca 0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1sn6 h GLU 9 Cb 0.90 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1sn6 h GLU 9 CO 0.00 1.20 -0.06 0.35 -0.73 0.00 0.00 179.01 179.76 1sn6 h PHE 10 N -0.28 0.00 0.00 0.92 3.57 -0.42 -2.96 116.94 117.77 1sn6 h PHE 10 Ca -0.32 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.05 1sn6 h PHE 10 Cb 1.78 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 1sn6 h PHE 10 CO 0.12 0.06 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.47 1sn6 h LEU 11 N 0.00 0.00 -2.16 0.59 3.38 -1.61 -2.80 115.31 112.71 1sn6 h LEU 11 Ca -0.00 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1sn6 h LEU 11 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1sn6 h LEU 11 CO 0.01 1.23 0.08 1.62 0.09 0.00 0.00 178.44 181.47 1sn6 h VAL 12 N -1.00 0.75 0.14 1.22 3.04 -1.60 0.24 116.25 119.04 1sn6 h VAL 12 Ca -0.19 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.18 1sn6 h VAL 12 Cb 1.09 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1sn6 h VAL 12 CO -0.12 0.00 -1.62 0.50 -1.01 0.00 0.00 177.57 175.32 1sn6 h LYS 13 N 0.00 0.30 0.06 4.17 3.64 -1.65 -2.95 116.57 120.14 1sn6 h LYS 13 Ca 0.05 -0.52 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sn6 h LYS 13 Cb 0.21 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1sn6 h LYS 13 CO -0.00 1.18 -0.03 1.49 -2.27 0.00 0.00 179.45 179.82 1sn6 h GLU 14 N 0.08 -0.08 -0.79 1.90 4.57 -1.11 -2.67 114.58 116.49 1sn6 h GLU 14 Ca -0.28 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.05 1sn6 h GLU 14 Cb 2.05 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 30.56 1sn6 h GLU 14 CO 0.17 0.52 0.34 -0.24 -1.18 0.00 0.00 179.01 178.62 1sn6 h VAL 15 N -0.80 0.66 -0.47 0.32 3.04 -0.73 0.13 116.25 118.39 1sn6 h VAL 15 Ca -0.01 -0.16 0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1sn6 h VAL 15 Cb 0.63 0.14 -0.07 0.00 -2.01 0.00 0.00 31.29 29.98 1sn6 h VAL 15 CO 0.01 0.09 0.05 0.71 -1.01 0.00 0.00 177.57 177.42 1sn6 h THR 16 N 0.48 0.69 -1.17 3.17 1.35 -1.49 0.99 112.91 116.93 1sn6 h THR 16 Ca 0.44 -0.06 0.34 0.00 -0.55 0.00 0.00 66.41 66.58 1sn6 h THR 16 Cb 0.67 0.50 -0.11 0.00 -1.73 0.00 0.00 68.15 67.48 1sn6 h THR 16 CO -0.40 0.03 0.76 0.11 -0.25 0.00 0.00 175.52 175.77 1sn6 h LYS 17 N 0.18 0.23 0.06 4.72 1.57 -0.38 2.85 116.57 125.79 1sn6 h LYS 17 Ca 0.24 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.63 1sn6 h LYS 17 Cb 0.33 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1sn6 h LYS 17 CO -0.35 0.15 -2.19 1.47 -0.57 0.00 0.00 179.45 177.96 1sn6 n LEU 18 N -4.63 2.43 0.25 2.94 -0.00 0.19 -4.06 117.00 114.11 1sn6 n LEU 18 Ca 0.30 0.08 0.16 0.00 -0.00 0.00 0.00 56.01 56.55 1sn6 n LEU 18 Cb 1.14 -0.81 0.62 0.00 -0.00 0.00 0.00 43.42 44.37 1sn6 n LEU 18 CO 0.24 0.82 0.96 0.40 -0.00 0.00 0.00 177.39 179.81 1sn6 h ILE 19 N 0.03 0.00 -0.88 1.47 2.04 0.27 -2.79 117.51 117.66 1sn6 h ILE 19 Ca -0.48 -0.48 0.19 0.00 1.00 0.00 0.00 64.86 65.08 1sn6 h ILE 19 Cb 2.00 1.44 -0.17 0.00 -0.74 0.00 0.00 36.82 39.35 1sn6 h ILE 19 CO 0.01 0.00 -0.18 -0.90 0.00 0.00 0.00 178.15 177.08 1sn6 n ASP 20 N -2.92 -0.28 0.00 1.72 5.75 0.94 -4.16 116.55 117.59 1sn6 n ASP 20 Ca 0.01 1.51 0.00 0.00 -0.01 0.00 0.00 54.79 56.30 1sn6 n ASP 20 Cb 0.30 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1sn6 n ASP 20 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sn6 n ASN 21 N -5.41 0.00 -0.28 -1.12 4.13 -1.24 -4.94 115.26 106.40 1sn6 n ASN 21 Ca 0.15 -0.80 0.09 0.00 1.68 0.00 0.00 54.58 55.70 1sn6 n ASN 21 Cb 0.48 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.95 1sn6 n ASN 21 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1sn6 h ASN 22 N 0.00 -0.01 -3.97 6.41 -0.00 -1.65 -3.38 115.58 112.97 1sn6 h ASN 22 Ca 0.00 0.17 -0.69 0.00 -0.00 0.00 0.00 56.30 55.79 1sn6 h ASN 22 Cb 0.40 0.24 -0.24 0.00 -0.00 0.00 0.00 38.32 38.72 1sn6 h ASN 22 CO 0.00 -0.10 -0.77 -1.59 -0.00 0.00 0.00 177.43 174.97 1sn6 s LYS 23 N -6.00 2.58 0.00 4.14 0.00 -1.26 -5.12 119.74 114.08 1sn6 s LYS 23 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 55.97 55.15 1sn6 s LYS 23 Cb 0.24 -2.40 0.00 0.00 0.00 0.00 0.00 37.83 35.67 1sn6 s LYS 23 CO 0.76 0.59 0.00 0.25 0.00 0.00 0.00 175.35 176.95 1sn6 n THR 24 N 2.42 0.00 0.81 3.79 -2.24 -1.26 -4.99 114.28 112.80 1sn6 n THR 24 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1sn6 n THR 24 Cb 0.52 -1.23 0.19 0.00 -2.10 0.00 0.00 70.33 67.72 1sn6 n THR 24 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sn6 n GLU 25 N -0.96 1.89 0.05 -0.78 0.00 -1.26 -3.99 120.64 115.59 1sn6 n GLU 25 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 57.16 55.57 1sn6 n GLU 25 Cb 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 31.44 29.98 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1sn6 h LYS 26 N 2.28 0.33 0.00 3.44 1.57 -1.99 -2.80 116.57 119.39 1sn6 h LYS 26 Ca 0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1sn6 h LYS 26 Cb 0.52 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1sn6 h LYS 26 CO 0.00 1.27 0.00 0.93 -0.57 0.00 0.00 179.45 181.08 1sn6 h GLU 27 N -0.15 0.00 0.00 3.15 5.08 -1.98 -2.97 114.58 117.72 1sn6 h GLU 27 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1sn6 h GLU 27 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1sn6 h GLU 27 CO 0.13 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.25 1sn6 n ILE 28 N -2.49 0.00 -0.33 3.13 2.08 -1.23 -2.75 119.36 117.77 1sn6 n ILE 28 Ca 0.04 0.40 0.36 0.00 0.56 0.00 0.00 62.75 64.10 1sn6 n ILE 28 Cb 0.36 -1.23 0.73 0.00 -0.75 0.00 0.00 39.64 38.75 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 -0.27 1.39 3.38 -1.64 1.61 115.31 119.78 1sn6 h LEU 29 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 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 -0.25 0.44 0.09 0.00 0.00 178.44 178.72 1sn6 h ASP 30 N 0.00 0.69 -0.83 -0.43 3.32 -1.65 -2.79 116.42 114.72 1sn6 h ASP 30 Ca 0.58 -0.46 0.16 0.00 0.02 0.00 0.00 57.03 57.32 1sn6 h ASP 30 Cb 2.48 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 41.73 1sn6 h ASP 30 CO -0.01 1.01 0.39 0.00 -1.72 0.00 0.00 179.24 178.92 1sn6 h ALA 31 N 0.70 1.25 -0.18 3.45 0.00 0.25 0.50 119.26 125.23 1sn6 h ALA 31 Ca 0.05 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1sn6 h ALA 31 Cb 0.81 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sn6 h ALA 31 CO 0.06 -0.18 -0.25 0.74 0.00 0.00 0.00 179.25 179.62 1sn6 h PHE 32 N 0.53 0.37 0.00 0.00 -1.00 -1.32 1.24 116.94 116.75 1sn6 h PHE 32 Ca 0.47 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.18 1sn6 h PHE 32 Cb 0.73 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1sn6 h PHE 32 CO -0.12 0.56 0.00 -3.47 -1.61 0.00 0.00 178.31 173.67 1sn6 n ASP 33 N -4.14 0.00 0.00 2.17 2.03 0.16 -1.37 116.55 115.40 1sn6 n ASP 33 Ca -0.01 -0.49 -0.00 0.00 0.52 0.00 0.00 54.79 54.81 1sn6 n ASP 33 Cb 0.38 -0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sn6 n LYS 34 N -1.06 0.01 -0.23 -0.67 5.02 0.62 -4.40 118.16 117.46 1sn6 n LYS 34 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1sn6 n LYS 34 Cb 0.09 -0.12 0.04 0.00 -0.02 0.00 0.00 35.03 35.02 1sn6 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1sn6 h MET 35 N -0.01 0.94 -0.13 1.97 1.85 0.13 -0.47 114.93 119.21 1sn6 h MET 35 Ca 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 1sn6 h MET 35 Cb 0.01 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 31.88 1sn6 h MET 35 CO 0.00 0.78 0.00 0.00 -0.40 0.00 0.00 176.91 177.29 1sn6 h SER 37 N 0.60 0.12 0.55 0.00 0.87 -0.99 -3.31 113.55 111.38 1sn6 h SER 37 Ca 0.00 -0.86 -0.05 0.00 -1.23 0.00 0.00 61.79 59.65 1sn6 h SER 37 Cb 0.15 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1sn6 h SER 37 CO 0.00 1.26 -0.26 0.07 -0.53 0.00 0.00 176.83 177.38 1sn6 h LYS 38 N -0.81 0.00 -6.28 2.24 2.10 -1.61 -3.45 116.57 108.76 1sn6 h LYS 38 Ca -0.15 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.88 1sn6 h LYS 38 Cb 1.28 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.74 1sn6 h LYS 38 CO -0.02 0.26 -0.35 -0.11 -2.00 0.00 0.00 179.45 177.22 1sn6 n LEU 39 N -3.71 -0.06 -4.64 7.07 7.94 -1.25 -4.77 117.00 117.59 1sn6 n LEU 39 Ca -0.01 1.00 -0.47 0.00 -1.11 0.00 0.00 56.01 55.41 1sn6 n LEU 39 Cb 0.37 -1.11 -0.04 0.00 0.53 0.00 0.00 43.42 43.17 1sn6 n LEU 39 CO 0.34 -2.69 1.00 -2.65 -1.11 0.00 0.00 177.39 172.28 1sn6 n PRO 40 N 0.74 1.77 -0.31 1.96 -0.02 -1.26 -4.48 135.00 133.40 1sn6 n PRO 40 Ca 0.12 0.63 0.20 0.00 -2.02 0.00 0.00 63.50 62.44 1sn6 n PRO 40 Cb 0.35 -2.30 0.38 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.49 -0.07 0.27 -0.52 4.81 -1.26 0.61 118.16 124.49 1sn6 n LYS 41 Ca 0.15 1.32 -0.14 0.00 -0.87 0.00 0.00 58.31 58.77 1sn6 n LYS 41 Cb 0.27 -2.21 -0.07 0.00 0.02 0.00 0.00 35.03 33.04 1sn6 n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sn6 h SER 42 N 0.00 -0.99 0.15 3.14 0.87 -2.01 -1.25 113.55 113.46 1sn6 h SER 42 Ca 0.64 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1sn6 h SER 42 Cb 1.51 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1sn6 h SER 42 CO -0.80 -0.53 0.00 0.18 -0.53 0.00 0.00 176.83 175.15 1sn6 n LEU 43 N -4.70 0.00 0.08 2.23 4.77 -0.06 -2.40 117.00 116.92 1sn6 n LEU 43 Ca -0.10 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1sn6 n LEU 43 Cb 0.36 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1sn6 n LEU 43 CO 0.23 -0.01 0.00 0.77 -1.33 0.00 0.00 177.39 177.05 1sn6 h SER 44 N 0.00 0.00 0.74 -1.43 4.64 0.86 -1.76 113.55 116.60 1sn6 h SER 44 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1sn6 h SER 44 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1sn6 h SER 44 CO 0.00 0.42 -1.27 -0.33 -0.87 0.00 0.00 176.83 174.78 1sn6 h GLU 45 N 0.00 0.09 0.00 4.77 5.08 -0.89 -2.87 114.58 120.77 1sn6 h GLU 45 Ca -0.09 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 1sn6 h GLU 45 Cb 1.39 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1sn6 h GLU 45 CO 0.04 0.97 -1.03 0.93 -1.00 0.00 0.00 179.01 178.92 1sn6 h GLU 46 N 0.03 0.00 0.00 2.33 3.07 -1.57 -2.12 114.58 116.31 1sn6 h GLU 46 Ca -0.12 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 1sn6 h GLU 46 Cb 1.89 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.78 1sn6 h GLU 46 CO 0.14 0.78 -0.77 0.00 -1.40 0.00 0.00 179.01 177.76 1sn6 h GLN 48 N 0.00 0.00 0.08 0.00 1.08 -1.56 -3.09 115.11 111.63 1sn6 h GLN 48 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1sn6 h GLN 48 Cb 1.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1sn6 h GLN 48 CO 0.10 0.00 -0.04 1.49 -0.95 0.00 0.00 178.83 179.43 1sn6 h GLU 49 N 0.00 -0.11 -0.69 1.46 4.81 -1.12 -2.98 114.58 115.96 1sn6 h GLU 49 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1sn6 h GLU 49 Cb 0.85 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1sn6 h GLU 49 CO 0.00 0.31 0.24 0.28 -0.73 0.00 0.00 179.01 179.11 1sn6 h VAL 50 N -0.56 1.25 -0.71 0.32 2.07 -1.60 -2.83 116.25 114.19 1sn6 h VAL 50 Ca -0.01 -0.84 0.12 0.00 0.82 0.00 0.00 66.70 66.79 1sn6 h VAL 50 Cb 0.47 0.50 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 1sn6 h VAL 50 CO 0.02 0.33 -0.37 0.58 0.02 0.00 0.00 177.57 178.14 1sn6 h VAL 51 N 0.99 0.10 -0.90 2.57 2.07 -1.50 3.86 116.25 123.45 1sn6 h VAL 51 Ca 0.22 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.93 1sn6 h VAL 51 Cb 0.27 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1sn6 h VAL 51 CO -0.01 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.61 1sn6 h ASP 52 N -0.12 0.52 1.41 0.57 3.32 -1.35 0.76 116.42 121.54 1sn6 h ASP 52 Ca 0.26 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 1sn6 h ASP 52 Cb 0.56 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1sn6 h ASP 52 CO -0.78 0.23 -0.60 0.74 -1.72 0.00 0.00 179.24 177.11 1sn6 h THR 53 N 0.53 0.75 -2.35 0.35 2.02 0.44 -3.38 112.91 111.26 1sn6 h THR 53 Ca 0.47 -2.09 -0.59 0.00 0.77 0.00 0.00 66.41 64.97 1sn6 h THR 53 Cb 0.99 2.33 -0.40 0.00 -1.74 0.00 0.00 68.15 69.33 1sn6 h THR 53 CO -0.21 0.43 -0.84 -1.22 0.37 0.00 0.00 175.52 174.05 1sn6 n TYR 54 N -3.16 1.22 0.08 3.16 4.02 1.09 -4.84 117.16 118.72 1sn6 n TYR 54 Ca 0.01 -3.80 0.00 0.00 -0.01 0.00 0.00 57.90 54.10 1sn6 n TYR 54 Cb 0.73 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 1.73 -0.37 0.19 2.72 0.00 0.73 -4.44 105.19 105.76 1sn6 n GLY 55 Ca 0.25 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.29 113.55 114.67 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1sn6 n SER 57 N -2.86 0.00 -0.10 4.97 7.64 -1.26 -2.67 113.62 119.34 1sn6 n SER 57 Ca 0.04 0.10 0.04 0.00 1.01 0.00 0.00 58.87 60.05 1sn6 n SER 57 Cb 0.47 -0.21 0.07 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.58 -0.12 -0.03 0.44 3.06 -1.26 0.27 119.36 120.15 1sn6 n ILE 58 Ca 0.00 0.62 -0.16 0.00 -2.50 0.00 0.00 62.75 60.72 1sn6 n ILE 58 Cb 0.00 -0.90 -0.13 0.00 0.54 0.00 0.00 39.64 39.15 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 0.18 -0.15 9.51 3.38 -1.76 -3.29 115.31 123.19 1sn6 h LEU 59 Ca 0.16 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1sn6 h LEU 59 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sn6 h LEU 59 CO -0.27 1.05 0.00 -0.24 0.09 0.00 0.00 178.44 179.07 1sn6 n SER 60 N -4.48 0.22 -0.05 -0.43 2.88 0.76 -4.20 113.62 108.32 1sn6 n SER 60 Ca -0.11 -1.22 -0.04 0.00 -1.33 0.00 0.00 58.87 56.17 1sn6 n SER 60 Cb 0.55 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1sn6 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sn6 n ILE 61 N -0.75 0.94 0.00 2.46 0.00 0.60 -4.16 119.36 118.45 1sn6 n ILE 61 Ca 0.20 0.30 0.00 0.00 0.00 0.00 0.00 62.75 63.25 1sn6 n ILE 61 Cb 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 39.64 37.70 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 -3.78 0.00 -0.10 9.51 4.32 -1.24 -2.00 117.00 123.72 1sn6 n LEU 62 Ca -0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.77 1sn6 n LEU 62 Cb 0.24 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.97 1sn6 n LEU 62 CO 0.10 0.00 -0.65 0.18 -1.22 0.00 0.00 177.39 175.80 1sn6 n LEU 63 N -0.76 1.87 0.06 2.23 4.77 -1.26 -4.58 117.00 119.34 1sn6 n LEU 63 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1sn6 n LEU 63 Cb 0.00 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1sn6 n LEU 63 CO 0.00 -0.01 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.34 1sn6 n GLU 64 N -4.47 0.00 0.18 3.23 1.02 -0.85 -4.76 120.64 115.00 1sn6 n GLU 64 Ca -0.25 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.92 1sn6 n GLU 64 Cb 0.55 -0.23 0.16 0.00 -0.02 0.00 0.00 31.44 31.90 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sn6 h GLU 65 N 0.00 0.00 -3.69 3.49 5.08 -1.76 -3.39 114.58 114.31 1sn6 h GLU 65 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1sn6 h GLU 65 Cb 0.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 1sn6 h GLU 65 CO 0.00 0.00 -0.27 0.54 -1.00 0.00 0.00 179.01 178.28 1sn6 s VAL 66 N -3.23 0.10 0.02 3.13 0.11 -1.20 -5.05 120.40 114.30 1sn6 s VAL 66 Ca -0.01 -1.05 -0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1sn6 s VAL 66 Cb 0.02 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1sn6 s VAL 66 CO 0.05 -0.47 0.14 -0.44 -3.33 0.00 0.00 175.10 171.05 1sn6 s SER 67 N -2.87 6.03 0.65 3.54 0.01 -1.26 -4.41 113.70 115.39 1sn6 s SER 67 Ca 0.07 0.21 0.30 0.00 1.31 0.00 0.00 55.95 57.84 1sn6 s SER 67 Cb 0.04 -1.80 1.65 0.00 0.21 0.00 0.00 66.02 66.12 1sn6 s SER 67 CO -0.09 0.23 1.93 -0.65 0.41 0.00 0.00 173.24 175.07 1sn6 h PRO 68 N 3.62 0.00 0.01 12.44 0.10 -1.87 -1.57 132.00 144.73 1sn6 h PRO 68 Ca -0.48 0.00 -0.10 0.00 0.10 0.00 0.00 66.00 65.53 1sn6 h PRO 68 Cb 1.17 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.26 1sn6 h PRO 68 CO 0.68 0.00 -0.53 1.49 0.10 0.00 0.00 178.00 179.75 1sn6 h GLU 69 N 0.00 0.02 0.00 1.05 4.22 -1.92 -3.16 114.58 114.78 1sn6 h GLU 69 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1sn6 h GLU 69 Cb 0.61 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1sn6 h GLU 69 CO 0.00 1.01 0.00 -0.11 -2.18 0.00 0.00 179.01 177.73 1sn6 n LEU 70 N -4.51 0.58 0.05 1.64 7.94 -0.66 -2.57 117.00 119.47 1sn6 n LEU 70 Ca -0.19 0.76 -0.02 0.00 -1.11 0.00 0.00 56.01 55.45 1sn6 n LEU 70 Cb 0.58 -0.82 -0.01 0.00 0.53 0.00 0.00 43.42 43.70 1sn6 n LEU 70 CO 0.29 -0.93 0.13 0.58 -1.11 0.00 0.00 177.39 176.36 1sn6 h VAL 71 N 0.00 0.00 0.00 1.96 2.07 -1.38 1.03 116.25 119.93 1sn6 h VAL 71 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1sn6 h VAL 71 Cb 0.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1sn6 h VAL 71 CO 0.00 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.89 1sn6 n SER 73 N -2.04 1.82 -0.26 0.00 2.88 -1.06 -3.22 113.62 111.75 1sn6 n SER 73 Ca -0.01 0.59 0.05 0.00 -1.33 0.00 0.00 58.87 58.17 1sn6 n SER 73 Cb 0.32 -0.88 0.18 0.00 -0.75 0.00 0.00 64.21 63.08 1sn6 n SER 73 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1sn6 h MET 74 N -1.00 0.45 0.00 -1.46 4.05 0.30 1.01 114.93 118.27 1sn6 h MET 74 Ca -0.06 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1sn6 h MET 74 Cb 0.65 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1sn6 h MET 74 CO -0.03 0.30 -0.02 -0.07 0.23 0.00 0.00 176.91 177.31 1sn6 h LEU 75 N 0.46 0.00 -2.72 3.39 3.38 0.10 -3.46 115.31 116.46 1sn6 h LEU 75 Ca 0.41 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.83 1sn6 h LEU 75 Cb 0.60 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1sn6 h LEU 75 CO -0.39 0.02 -0.95 1.41 0.09 0.00 0.00 178.44 178.62 1sn6 n HIS 76 N -4.25 -1.52 0.05 1.13 8.25 0.35 -4.84 115.22 114.38 1sn6 n HIS 76 Ca -0.03 0.48 0.01 0.00 -0.26 0.00 0.00 57.72 57.92 1sn6 n HIS 76 Cb 0.10 -3.18 -0.07 0.00 1.12 0.00 0.00 29.99 27.97 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1sn6 h LEU 77 N -2.05 0.00 -1.17 2.41 8.10 -1.83 -3.29 115.31 117.48 1sn6 h LEU 77 Ca -0.67 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.32 1sn6 h LEU 77 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.61 1sn6 h LEU 77 CO 0.59 0.54 0.28 0.00 -4.11 0.00 0.00 178.44 175.74 1sn6 n SER 79 N -2.25 2.31 0.13 0.00 7.64 -1.24 -4.75 113.62 115.45 1sn6 n SER 79 Ca -0.01 0.07 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1sn6 n SER 79 Cb 0.30 -1.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.16 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1sn6 h GLY 80 N 15.16 0.00 -0.25 0.23 0.00 -1.95 -3.47 103.07 112.79 1sn6 h GLY 80 Ca -0.28 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.79 1sn6 h GLY 80 CO 1.08 0.00 -0.20 1.47 0.00 0.00 0.00 176.54 178.89 1sn6 n LEU 81 N -2.73 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 106.30 1sn6 n LEU 81 Ca 0.01 -1.35 -0.42 0.00 -0.00 0.00 0.00 56.01 54.25 1sn6 n LEU 81 Cb 0.54 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 44.23 1sn6 n LEU 81 CO 0.38 -0.20 0.63 0.68 -0.00 0.00 0.00 177.39 178.88 1sn6 s VAL 82 N -2.00 4.89 -0.24 1.47 -7.23 -1.26 -4.93 120.40 111.10 1sn6 s VAL 82 Ca 0.05 1.95 -0.41 0.00 -1.81 0.00 0.00 61.98 61.75 1sn6 s VAL 82 Cb 0.00 -4.27 -0.17 0.00 0.56 0.00 0.00 36.38 32.50 1sn6 s VAL 82 CO 0.03 0.18 1.57 -2.65 -0.31 0.00 0.00 175.10 173.92 1sn6 n PRO 83 N 3.84 0.74 0.00 4.82 -0.02 -1.26 -5.19 135.00 137.93 1sn6 n PRO 83 Ca 0.05 0.27 0.16 0.00 -2.02 0.00 0.00 63.50 61.95 1sn6 n PRO 83 Cb 0.51 -1.88 0.91 0.00 -0.02 0.00 0.00 33.50 33.02 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02