#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 -0.92 -0.08 -3.46 5.75 -1.26 -4.85 116.55 111.72 1sn6 n ASP 2 Ca 0.00 -1.64 -0.13 0.00 -0.01 0.00 0.00 54.79 53.01 1sn6 n ASP 2 Cb 0.00 0.61 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1sn6 h VAL 3 N 1.12 0.63 -0.89 2.12 2.07 -2.02 -3.38 116.25 115.91 1sn6 h VAL 3 Ca -0.33 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 65.57 1sn6 h VAL 3 Cb 1.18 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1sn6 h VAL 3 CO -0.12 0.21 0.58 1.88 0.02 0.00 0.00 177.57 180.14 1sn6 h TYR 4 N -1.00 1.04 -0.94 1.57 0.05 -1.98 -1.97 116.97 113.75 1sn6 h TYR 4 Ca -0.15 0.03 0.28 0.00 0.05 0.00 0.00 58.73 58.94 1sn6 h TYR 4 Cb 0.85 -0.34 -0.15 0.00 1.01 0.00 0.00 36.73 38.09 1sn6 h TYR 4 CO 0.01 0.57 0.31 0.00 -1.05 0.00 0.00 178.16 178.00 1sn6 h GLU 6 N 0.18 0.76 0.17 0.00 5.08 -1.53 -2.85 114.58 116.38 1sn6 h GLU 6 Ca 0.63 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1sn6 h GLU 6 Cb 1.38 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1sn6 h GLU 6 CO -0.70 1.17 -0.08 0.28 -1.00 0.00 0.00 179.01 178.68 1sn6 h VAL 7 N 0.49 0.00 -1.67 3.13 2.07 -0.08 -2.79 116.25 117.39 1sn6 h VAL 7 Ca -0.02 -0.65 0.49 0.00 0.82 0.00 0.00 66.70 67.34 1sn6 h VAL 7 Cb 1.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1sn6 h VAL 7 CO 0.13 0.00 1.20 0.00 0.02 0.00 0.00 177.57 178.92 1sn6 h GLU 9 N 0.00 0.09 0.00 0.00 5.08 -1.54 -3.03 114.58 115.18 1sn6 h GLU 9 Ca 0.80 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.91 1sn6 h GLU 9 Cb 3.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 32.49 1sn6 h GLU 9 CO -0.02 1.01 -0.47 0.35 -1.00 0.00 0.00 179.01 178.87 1sn6 h PHE 10 N 0.02 0.00 0.00 4.33 3.57 0.18 -2.94 116.94 122.10 1sn6 h PHE 10 Ca -0.09 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1sn6 h PHE 10 Cb 1.87 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.61 1sn6 h PHE 10 CO 0.02 0.47 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.37 1sn6 h LEU 11 N 0.00 0.00 -2.18 0.59 3.38 -1.32 -2.12 115.31 113.66 1sn6 h LEU 11 Ca -0.00 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.35 1sn6 h LEU 11 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1sn6 h LEU 11 CO 0.06 0.91 0.14 1.62 0.09 0.00 0.00 178.44 181.27 1sn6 h VAL 12 N -1.00 0.65 0.15 1.22 3.04 -1.64 0.21 116.25 118.88 1sn6 h VAL 12 Ca -0.03 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.34 1sn6 h VAL 12 Cb 0.76 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1sn6 h VAL 12 CO -0.02 0.00 -1.58 0.50 -1.01 0.00 0.00 177.57 175.46 1sn6 h LYS 13 N 0.00 0.32 0.18 4.17 3.64 -1.60 -2.92 116.57 120.36 1sn6 h LYS 13 Ca 0.08 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1sn6 h LYS 13 Cb 0.36 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1sn6 h LYS 13 CO -0.00 1.21 -0.09 1.49 -2.27 0.00 0.00 179.45 179.79 1sn6 h GLU 14 N 0.09 -0.24 -0.89 1.90 4.81 -0.59 -2.71 114.58 116.95 1sn6 h GLU 14 Ca -0.27 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.18 1sn6 h GLU 14 Cb 2.05 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 31.37 1sn6 h GLU 14 CO 0.18 0.14 0.42 -0.24 -0.73 0.00 0.00 179.01 178.78 1sn6 h VAL 15 N -0.92 0.55 -0.66 0.32 3.04 -0.81 0.51 116.25 118.28 1sn6 h VAL 15 Ca -0.03 -0.16 0.10 0.00 -1.01 0.00 0.00 66.70 65.60 1sn6 h VAL 15 Cb 0.49 0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 29.74 1sn6 h VAL 15 CO 0.04 0.09 0.29 0.71 -1.01 0.00 0.00 177.57 177.69 1sn6 h THR 16 N 0.48 0.80 -1.06 3.17 1.35 -1.48 0.98 112.91 117.15 1sn6 h THR 16 Ca 0.54 -0.17 0.28 0.00 -0.55 0.00 0.00 66.41 66.51 1sn6 h THR 16 Cb 0.95 0.25 -0.10 0.00 -1.73 0.00 0.00 68.15 67.52 1sn6 h THR 16 CO -0.48 0.09 0.67 0.11 -0.25 0.00 0.00 175.52 175.67 1sn6 h LYS 17 N 0.50 0.38 0.08 4.72 1.57 0.36 3.07 116.57 127.25 1sn6 h LYS 17 Ca 0.33 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 1sn6 h LYS 17 Cb 0.39 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1sn6 h LYS 17 CO -0.29 0.25 -2.10 1.47 -0.57 0.00 0.00 179.45 178.21 1sn6 n LEU 18 N -4.69 2.42 0.25 2.94 -0.00 0.28 -4.00 117.00 114.21 1sn6 n LEU 18 Ca 0.27 0.14 0.16 0.00 -0.00 0.00 0.00 56.01 56.58 1sn6 n LEU 18 Cb 0.92 -0.87 0.60 0.00 -0.00 0.00 0.00 43.42 44.08 1sn6 n LEU 18 CO 0.23 0.81 0.95 0.40 -0.00 0.00 0.00 177.39 179.78 1sn6 h ILE 19 N 0.04 0.00 -0.98 1.47 2.04 0.22 -3.29 117.51 117.01 1sn6 h ILE 19 Ca -0.45 -0.52 0.17 0.00 1.00 0.00 0.00 64.86 65.06 1sn6 h ILE 19 Cb 2.01 1.48 -0.17 0.00 -0.74 0.00 0.00 36.82 39.40 1sn6 h ILE 19 CO 0.04 0.00 -0.33 -0.78 0.00 0.00 0.00 178.15 177.08 1sn6 h ASP 20 N 0.00 -1.24 -0.26 1.72 3.58 0.54 -3.34 116.42 117.42 1sn6 h ASP 20 Ca 0.00 0.30 -0.27 0.00 0.42 0.00 0.00 57.03 57.49 1sn6 h ASP 20 Cb 0.55 0.70 -0.17 0.00 1.72 0.00 0.00 39.33 42.12 1sn6 h ASP 20 CO 0.00 -0.30 -0.57 0.59 -2.88 0.00 0.00 179.24 176.08 1sn6 n ASN 21 N -5.53 -2.45 0.00 2.28 4.13 -1.24 -4.97 115.26 107.48 1sn6 n ASN 21 Ca 0.12 -3.27 0.00 0.00 1.68 0.00 0.00 54.58 53.11 1sn6 n ASN 21 Cb 0.43 1.52 0.00 0.00 -1.54 0.00 0.00 39.78 40.20 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 1.49 1.29 -4.21 6.41 5.03 -1.24 -4.98 115.26 119.04 1sn6 n ASN 22 Ca 0.10 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.21 1sn6 n ASN 22 Cb 0.62 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.24 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 -1.98 2.91 0.38 3.52 0.00 -1.26 -5.11 119.74 118.20 1sn6 s LYS 23 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 55.97 54.99 1sn6 s LYS 23 Cb 0.00 -2.99 0.08 0.00 0.00 0.00 0.00 37.83 34.93 1sn6 s LYS 23 CO 0.00 -0.37 0.52 0.25 0.00 0.00 0.00 175.35 175.74 1sn6 n THR 24 N 4.69 0.00 1.18 3.79 -2.24 -1.26 -4.93 114.28 115.50 1sn6 n THR 24 Ca -0.17 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.15 1sn6 n THR 24 Cb 0.48 -1.61 0.07 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.06 1.52 -0.04 -0.78 4.71 -1.26 -3.78 120.64 118.95 1sn6 n GLU 25 Ca 0.07 -0.58 -0.19 0.00 -0.01 0.00 0.00 57.16 56.45 1sn6 n GLU 25 Cb 0.24 -1.32 -0.13 0.00 -1.01 0.00 0.00 31.44 29.22 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 0.86 0.12 0.00 3.49 1.79 -2.00 -2.81 116.57 118.02 1sn6 h LYS 26 Ca 0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1sn6 h LYS 26 Cb 0.43 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1sn6 h LYS 26 CO 0.04 1.10 0.00 0.39 -1.08 0.00 0.00 179.45 179.89 1sn6 n GLU 27 N -4.29 0.16 0.00 3.15 1.02 -1.25 -2.82 120.64 116.61 1sn6 n GLU 27 Ca -0.20 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1sn6 n GLU 27 Cb 0.70 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sn6 n ILE 28 N -2.07 0.00 -0.24 -3.67 2.08 -1.24 -2.89 119.36 111.34 1sn6 n ILE 28 Ca 0.03 0.39 0.31 0.00 0.56 0.00 0.00 62.75 64.04 1sn6 n ILE 28 Cb 0.25 -1.24 0.62 0.00 -0.75 0.00 0.00 39.64 38.53 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 0.08 1.39 3.38 -1.61 0.85 115.31 119.40 1sn6 h LEU 29 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 -0.04 -0.78 0.09 0.00 0.00 178.44 177.71 1sn6 h ASP 30 N 0.00 -0.10 -1.15 -0.43 3.58 -1.67 -2.81 116.42 113.84 1sn6 h ASP 30 Ca 0.50 -0.50 0.33 0.00 0.42 0.00 0.00 57.03 57.78 1sn6 h ASP 30 Cb 2.53 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 43.51 1sn6 h ASP 30 CO -0.01 0.51 0.77 0.00 -2.88 0.00 0.00 179.24 177.63 1sn6 h ALA 31 N -0.00 2.58 -0.14 -0.78 0.00 0.85 2.39 119.26 124.15 1sn6 h ALA 31 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1sn6 h ALA 31 Cb 0.58 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1sn6 h ALA 31 CO 0.02 -1.02 -0.37 0.74 0.00 0.00 0.00 179.25 178.62 1sn6 h PHE 32 N 0.23 0.33 0.00 0.00 0.04 -1.24 0.86 116.94 117.16 1sn6 h PHE 32 Ca 0.64 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.33 1sn6 h PHE 32 Cb 1.95 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 40.03 1sn6 h PHE 32 CO -0.00 0.62 0.00 -3.47 -0.60 0.00 0.00 178.31 174.86 1sn6 n ASP 33 N -4.06 0.00 0.00 2.17 2.03 0.80 -1.62 116.55 115.87 1sn6 n ASP 33 Ca -0.01 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1sn6 n ASP 33 Cb 0.46 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.16 0.00 -0.34 -0.67 5.02 0.39 -4.40 118.16 117.00 1sn6 n LYS 34 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.35 1sn6 n LYS 34 Cb 0.09 -0.08 0.10 0.00 -0.02 0.00 0.00 35.03 35.12 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 0.00 1.27 -0.56 1.97 1.85 0.48 0.15 114.93 120.09 1sn6 h MET 35 Ca 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1sn6 h MET 35 Cb 0.00 -0.26 0.00 0.00 0.43 0.00 0.00 31.60 31.77 1sn6 h MET 35 CO 0.00 0.90 0.00 0.00 -0.40 0.00 0.00 176.91 177.41 1sn6 n SER 37 N 0.33 1.91 0.01 0.00 2.88 0.49 -4.20 113.62 115.04 1sn6 n SER 37 Ca 0.11 0.40 0.07 0.00 -1.33 0.00 0.00 58.87 58.12 1sn6 n SER 37 Cb 0.45 -0.85 0.29 0.00 -0.75 0.00 0.00 64.21 63.35 1sn6 n SER 37 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1sn6 n LYS 38 N -4.39 0.02 -1.68 -1.46 -0.00 -1.09 -4.76 118.16 104.80 1sn6 n LYS 38 Ca -0.34 0.30 -0.39 0.00 -0.00 0.00 0.00 58.31 57.88 1sn6 n LYS 38 Cb 0.67 -1.54 0.04 0.00 -0.00 0.00 0.00 35.03 34.20 1sn6 n LYS 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1sn6 n LEU 39 N -1.58 4.44 -4.65 -5.58 7.94 -1.25 -4.84 117.00 111.48 1sn6 n LEU 39 Ca 0.03 0.93 -0.47 0.00 -1.11 0.00 0.00 56.01 55.39 1sn6 n LEU 39 Cb 0.15 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.58 1sn6 n LEU 39 CO 0.12 -1.16 1.09 -2.65 -1.11 0.00 0.00 177.39 173.69 1sn6 n PRO 40 N -0.82 1.91 -0.28 1.96 -0.02 -1.26 -4.48 135.00 132.00 1sn6 n PRO 40 Ca 0.11 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1sn6 n PRO 40 Cb 0.45 -2.40 0.24 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.96 -0.07 0.23 -0.52 4.81 -1.26 0.65 118.16 124.96 1sn6 n LYS 41 Ca 0.16 1.23 -0.14 0.00 -0.87 0.00 0.00 58.31 58.69 1sn6 n LYS 41 Cb 0.27 -1.95 -0.08 0.00 0.02 0.00 0.00 35.03 33.30 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 -1.09 0.17 3.14 0.02 -2.01 -0.80 113.55 112.98 1sn6 h SER 42 Ca 0.49 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 1sn6 h SER 42 Cb 1.01 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1sn6 h SER 42 CO -0.77 -0.52 0.00 0.18 -1.14 0.00 0.00 176.83 174.57 1sn6 n LEU 43 N -4.81 0.00 0.04 5.07 4.77 0.00 -2.54 117.00 119.53 1sn6 n LEU 43 Ca -0.09 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1sn6 n LEU 43 Cb 0.36 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1sn6 n LEU 43 CO 0.21 -0.01 -0.14 0.77 -1.33 0.00 0.00 177.39 176.89 1sn6 h SER 44 N 0.00 0.00 0.89 -1.43 4.64 0.10 -1.89 113.55 115.87 1sn6 h SER 44 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1sn6 h SER 44 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1sn6 h SER 44 CO 0.00 0.73 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.27 1sn6 h GLU 45 N 0.00 0.06 0.00 4.77 5.08 -0.89 -2.90 114.58 120.69 1sn6 h GLU 45 Ca -0.14 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1sn6 h GLU 45 Cb 1.68 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 1sn6 h GLU 45 CO 0.07 1.02 -0.91 0.93 -1.00 0.00 0.00 179.01 179.12 1sn6 h GLU 46 N 0.02 0.00 0.00 2.33 5.08 -1.57 -2.48 114.58 117.95 1sn6 h GLU 46 Ca -0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1sn6 h GLU 46 Cb 1.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1sn6 h GLU 46 CO 0.14 0.65 -0.73 0.00 -1.00 0.00 0.00 179.01 178.06 1sn6 h GLN 48 N 0.00 0.00 0.04 0.00 1.08 -1.57 -3.08 115.11 111.58 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 1.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1sn6 h GLN 48 CO 0.10 0.00 -0.02 1.49 -0.95 0.00 0.00 178.83 179.45 1sn6 h GLU 49 N 0.00 -0.05 -0.58 1.46 4.57 -1.32 -2.97 114.58 115.69 1sn6 h GLU 49 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1sn6 h GLU 49 Cb 0.99 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1sn6 h GLU 49 CO 0.00 0.36 0.17 0.28 -1.18 0.00 0.00 179.01 178.64 1sn6 h VAL 50 N -0.47 1.24 -0.65 0.32 2.07 -1.62 -2.91 116.25 114.24 1sn6 h VAL 50 Ca -0.00 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.78 1sn6 h VAL 50 Cb 0.43 0.68 -0.12 0.00 -1.52 0.00 0.00 31.29 30.77 1sn6 h VAL 50 CO 0.01 0.32 -0.37 0.58 0.02 0.00 0.00 177.57 178.13 1sn6 h VAL 51 N 0.83 0.13 -0.94 2.57 2.07 -1.50 3.95 116.25 123.36 1sn6 h VAL 51 Ca 0.19 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.93 1sn6 h VAL 51 Cb 0.31 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1sn6 h VAL 51 CO -0.00 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.65 1sn6 h ASP 52 N -0.15 0.38 1.25 0.57 5.19 -1.35 0.91 116.42 123.22 1sn6 h ASP 52 Ca 0.24 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1sn6 h ASP 52 Cb 0.56 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1sn6 h ASP 52 CO -0.73 0.13 -0.78 0.74 -3.12 0.00 0.00 179.24 175.49 1sn6 h THR 53 N 0.37 0.55 -2.70 0.35 2.02 0.47 -3.40 112.91 110.58 1sn6 h THR 53 Ca 0.50 -1.87 -0.60 0.00 0.77 0.00 0.00 66.41 65.20 1sn6 h THR 53 Cb 1.30 2.15 -0.40 0.00 -1.74 0.00 0.00 68.15 69.46 1sn6 h THR 53 CO -0.19 0.31 -0.79 -0.31 0.37 0.00 0.00 175.52 174.92 1sn6 s TYR 54 N -3.03 2.24 0.00 3.16 1.51 1.11 -4.86 117.35 117.48 1sn6 s TYR 54 Ca 0.02 -2.79 0.00 0.00 -1.01 0.00 0.00 57.07 53.28 1sn6 s TYR 54 Cb 0.08 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1sn6 s TYR 54 CO 0.76 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.91 1sn6 n GLY 55 N 2.44 0.67 0.24 0.71 0.00 -0.31 -4.40 105.19 104.54 1sn6 n GLY 55 Ca 0.25 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.88 -2.44 113.55 111.71 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 -2.34 0.00 -0.10 6.23 7.64 -1.26 -2.89 113.62 120.91 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 0.46 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.96 -0.12 -0.00 0.44 3.06 -1.19 0.25 119.36 120.83 1sn6 n ILE 58 Ca 0.00 0.64 -0.12 0.00 -2.50 0.00 0.00 62.75 60.77 1sn6 n ILE 58 Cb 0.00 -0.94 -0.09 0.00 0.54 0.00 0.00 39.64 39.14 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 -0.07 -0.30 9.51 3.38 -1.66 -3.26 115.31 122.91 1sn6 h LEU 59 Ca 0.18 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1sn6 h LEU 59 Cb 0.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sn6 h LEU 59 CO -0.27 0.57 0.00 -0.24 0.09 0.00 0.00 178.44 178.59 1sn6 n SER 60 N -4.82 0.46 0.05 -0.43 2.88 0.68 -4.22 113.62 108.22 1sn6 n SER 60 Ca -0.08 -1.24 -0.03 0.00 -1.33 0.00 0.00 58.87 56.19 1sn6 n SER 60 Cb 0.31 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.69 0.00 0.00 2.46 -0.00 0.31 -3.23 117.51 117.74 1sn6 h ILE 61 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 1sn6 h ILE 61 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.97 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 -3.37 0.17 -0.07 2.19 4.77 -1.26 -1.73 117.00 117.71 1sn6 n LEU 62 Ca -0.02 0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1sn6 n LEU 62 Cb 0.07 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1sn6 n LEU 62 CO 0.05 -0.46 0.11 -0.07 -1.33 0.00 0.00 177.39 175.70 1sn6 h LEU 63 N 0.00 0.00 0.00 2.23 4.07 -1.76 -3.40 115.31 116.45 1sn6 h LEU 63 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.36 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 0.92 -0.14 -0.62 -1.08 0.00 0.00 178.44 177.53 1sn6 n GLU 64 N -4.63 0.00 0.24 1.13 -0.58 -0.70 -4.77 120.64 111.33 1sn6 n GLU 64 Ca -0.10 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.67 1sn6 n GLU 64 Cb 0.37 -0.23 0.19 0.00 -0.57 0.00 0.00 31.44 31.20 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 -3.00 3.49 4.39 -1.73 -3.36 114.58 114.38 1sn6 h GLU 65 Ca 0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1sn6 h GLU 65 Cb 0.14 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.50 1sn6 h GLU 65 CO 0.00 0.00 -0.45 0.54 -1.16 0.00 0.00 179.01 177.94 1sn6 s VAL 66 N -3.54 -0.03 0.44 3.13 0.11 -1.18 -5.04 120.40 114.29 1sn6 s VAL 66 Ca -0.01 0.11 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1sn6 s VAL 66 Cb 0.02 -0.41 -0.08 0.00 -1.53 0.00 0.00 36.38 34.38 1sn6 s VAL 66 CO 0.06 0.05 1.10 -0.44 -3.33 0.00 0.00 175.10 172.54 1sn6 s SER 67 N 1.04 6.41 0.57 3.54 0.01 -1.26 -4.37 113.70 119.64 1sn6 s SER 67 Ca -0.07 2.15 0.28 0.00 1.31 0.00 0.00 55.95 59.61 1sn6 s SER 67 Cb -0.08 -2.59 1.53 0.00 0.21 0.00 0.00 66.02 65.08 1sn6 s SER 67 CO -0.07 -0.74 2.00 1.55 0.41 0.00 0.00 173.24 176.38 1sn6 h PRO 68 N 2.14 0.00 0.00 12.44 0.13 -1.88 -2.23 132.00 142.60 1sn6 h PRO 68 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sn6 h PRO 68 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sn6 h PRO 68 CO 0.61 0.00 -0.06 1.05 -0.23 0.00 0.00 178.00 179.37 1sn6 h GLU 69 N 0.00 0.03 -0.95 0.86 9.09 -1.90 -3.17 114.58 118.55 1sn6 h GLU 69 Ca 0.17 -0.04 0.19 0.00 0.05 0.00 0.00 59.36 59.73 1sn6 h GLU 69 Cb 0.87 0.01 -0.08 0.00 -1.65 0.00 0.00 28.75 27.90 1sn6 h GLU 69 CO -0.00 0.87 0.61 1.25 0.05 0.00 0.00 179.01 181.79 1sn6 h LEU 70 N -0.79 0.61 0.03 3.06 5.85 -1.79 -2.42 115.31 119.86 1sn6 h LEU 70 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sn6 h LEU 70 Cb 0.90 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sn6 h LEU 70 CO 0.01 0.25 -0.04 0.58 -0.34 0.00 0.00 178.44 178.90 1sn6 h VAL 71 N 0.61 0.00 0.00 1.05 2.07 -1.46 0.56 116.25 119.09 1sn6 h VAL 71 Ca 0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.03 1sn6 h VAL 71 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1sn6 h VAL 71 CO -0.26 0.00 0.66 0.00 0.02 0.00 0.00 177.57 177.99 1sn6 h SER 73 N 0.00 0.00 -1.04 0.00 0.02 -0.42 -3.28 113.55 108.83 1sn6 h SER 73 Ca 0.00 -0.35 0.26 0.00 -0.84 0.00 0.00 61.79 60.87 1sn6 h SER 73 Cb 1.32 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.76 1sn6 h SER 73 CO 0.00 1.02 0.66 0.24 -1.14 0.00 0.00 176.83 177.60 1sn6 h MET 74 N -1.00 0.42 0.00 3.45 2.86 0.46 1.96 114.93 123.08 1sn6 h MET 74 Ca -0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1sn6 h MET 74 Cb 0.79 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1sn6 h MET 74 CO -0.08 0.28 -0.03 -0.07 1.06 0.00 0.00 176.91 178.07 1sn6 h LEU 75 N 0.44 0.00 -1.77 1.22 3.38 -1.26 -3.46 115.31 113.86 1sn6 h LEU 75 Ca 0.61 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 58.08 1sn6 h LEU 75 Cb 1.46 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.15 1sn6 h LEU 75 CO -0.34 0.03 -0.87 1.41 0.09 0.00 0.00 178.44 178.76 1sn6 n HIS 76 N -3.97 -1.70 -0.00 1.13 8.25 0.66 -4.85 115.22 114.73 1sn6 n HIS 76 Ca -0.03 0.77 -0.05 0.00 -0.26 0.00 0.00 57.72 58.14 1sn6 n HIS 76 Cb 0.12 -3.71 -0.12 0.00 1.12 0.00 0.00 29.99 27.39 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1sn6 n LEU 77 N -4.40 0.84 0.00 2.41 -0.00 -1.26 -3.70 117.00 110.88 1sn6 n LEU 77 Ca -0.25 0.39 0.01 0.00 -0.00 0.00 0.00 56.01 56.15 1sn6 n LEU 77 Cb 0.66 0.14 0.04 0.00 -0.00 0.00 0.00 43.42 44.26 1sn6 n LEU 77 CO 0.76 0.30 0.42 0.00 -0.00 0.00 0.00 177.39 178.87 1sn6 n SER 79 N -1.26 1.53 0.03 0.00 7.64 -1.24 -4.75 113.62 115.57 1sn6 n SER 79 Ca 0.01 0.38 -0.03 0.00 1.01 0.00 0.00 58.87 60.24 1sn6 n SER 79 Cb 0.01 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 61.98 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 11.97 0.00 -0.24 0.23 0.00 -1.89 -3.47 103.07 109.67 1sn6 h GLY 80 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 1sn6 h GLY 80 CO 1.10 0.00 -0.18 1.47 0.00 0.00 0.00 176.54 178.92 1sn6 n LEU 81 N -3.03 0.00 -4.71 3.11 -0.00 -1.26 -5.04 117.00 106.07 1sn6 n LEU 81 Ca -0.09 -1.23 -0.41 0.00 -0.00 0.00 0.00 56.01 54.28 1sn6 n LEU 81 Cb 0.89 0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 44.56 1sn6 n LEU 81 CO 0.44 -0.18 0.58 0.68 -0.00 0.00 0.00 177.39 178.90 1sn6 s VAL 82 N -1.95 4.93 0.35 1.47 -7.23 -1.26 -4.97 120.40 111.75 1sn6 s VAL 82 Ca 0.04 1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 61.79 1sn6 s VAL 82 Cb 0.00 -4.22 -0.13 0.00 0.56 0.00 0.00 36.38 32.59 1sn6 s VAL 82 CO 0.03 0.19 0.75 -2.65 -0.31 0.00 0.00 175.10 173.11 1sn6 n PRO 83 N 3.90 0.85 0.00 4.82 -0.02 -1.26 -5.20 135.00 138.09 1sn6 n PRO 83 Ca 0.03 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1sn6 n PRO 83 Cb 0.51 -1.63 0.79 0.00 -0.02 0.00 0.00 33.50 33.16 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02