#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn1 s ARG 2 N 0.00 1.16 -0.20 7.34 3.03 -0.79 -4.90 118.95 124.59 1sn1 s ARG 2 Ca 0.00 -0.38 -0.13 0.00 2.03 0.00 0.00 55.73 57.25 1sn1 s ARG 2 Cb 0.00 0.53 -0.05 0.00 -1.03 0.00 0.00 34.95 34.40 1sn1 s ARG 2 CO 0.00 -0.46 0.25 -0.51 -1.13 0.00 0.00 175.30 173.45 1sn1 s ASP 3 N -2.41 6.31 0.07 -2.89 1.11 -1.26 -0.27 116.67 117.33 1sn1 s ASP 3 Ca -0.01 0.36 -0.26 0.00 0.18 0.00 0.00 52.55 52.81 1sn1 s ASP 3 Cb -0.00 -2.16 0.09 0.00 1.07 0.00 0.00 42.92 41.92 1sn1 s ASP 3 CO -0.08 0.07 1.17 0.00 1.18 0.00 0.00 175.17 177.52 1sn1 s ALA 4 N 0.76 -2.05 -0.14 5.23 0.00 -0.75 -4.98 121.76 119.83 1sn1 s ALA 4 Ca 0.13 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 1sn1 s ALA 4 Cb -0.13 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1sn1 s ALA 4 CO 0.04 -1.09 0.74 0.71 0.00 0.00 0.00 175.76 176.16 1sn1 s TYR 5 N -2.27 3.47 0.52 0.00 2.02 -1.26 -0.06 117.35 119.77 1sn1 s TYR 5 Ca 0.22 1.18 -0.20 0.00 -0.37 0.00 0.00 57.07 57.90 1sn1 s TYR 5 Cb -0.00 -2.89 -0.06 0.00 -0.40 0.00 0.00 41.96 38.60 1sn1 s TYR 5 CO 0.01 -0.11 1.12 -1.50 -1.57 0.00 0.00 175.55 173.50 1sn1 s ILE 6 N 1.61 3.25 0.12 2.71 2.07 -1.13 -1.50 121.20 128.33 1sn1 s ILE 6 Ca 0.36 0.80 0.10 0.00 -1.41 0.00 0.00 60.65 60.50 1sn1 s ILE 6 Cb -0.17 -3.34 -0.04 0.00 0.13 0.00 0.00 42.46 39.05 1sn1 s ILE 6 CO 0.14 -0.14 -0.24 0.00 -1.91 0.00 0.00 174.94 172.79 1sn1 s ALA 7 N -1.77 2.08 0.29 1.50 0.00 -0.67 -4.05 121.76 119.15 1sn1 s ALA 7 Ca 0.71 -1.36 0.10 0.00 0.00 0.00 0.00 51.96 51.41 1sn1 s ALA 7 Cb -0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1sn1 s ALA 7 CO 0.27 0.44 -0.08 -1.59 0.00 0.00 0.00 175.76 174.80 1sn1 s LYS 8 N -2.02 2.02 0.32 0.00 -2.85 -0.20 -4.78 119.74 112.22 1sn1 s LYS 8 Ca 0.10 -1.62 -0.29 0.00 -1.00 0.00 0.00 55.97 53.16 1sn1 s LYS 8 Cb -0.10 -1.97 -0.11 0.00 -2.06 0.00 0.00 37.83 33.59 1sn1 s LYS 8 CO 0.05 0.31 1.57 -2.14 0.10 0.00 0.00 175.35 175.24 1sn1 s PRO 9 N -3.62 4.11 -0.29 1.78 0.02 -1.26 -1.97 135.00 133.76 1sn1 s PRO 9 Ca 0.32 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.97 1sn1 s PRO 9 Cb -0.05 -3.00 0.07 0.00 0.02 0.00 0.00 34.50 31.55 1sn1 s PRO 9 CO 0.18 -0.62 -0.06 -1.01 -0.33 0.00 0.00 177.00 175.16 1sn1 s HIS 10 N -0.33 3.43 -1.01 6.54 3.76 -0.01 -4.70 115.29 122.97 1sn1 s HIS 10 Ca 0.60 -2.54 -0.00 0.00 -0.15 0.00 0.00 55.06 52.97 1sn1 s HIS 10 Cb -0.48 -2.25 -0.00 0.00 1.11 0.00 0.00 32.58 30.96 1sn1 s HIS 10 CO 0.53 -0.90 0.84 -1.71 -0.85 0.00 0.00 174.74 172.65 1sn1 n ASN 11 N 4.37 -2.18 -4.24 1.40 5.15 -1.11 -1.84 115.26 116.82 1sn1 n ASN 11 Ca -0.08 -0.53 -0.26 0.00 -0.60 0.00 0.00 54.58 53.11 1sn1 n ASN 11 Cb 0.42 -4.42 -0.15 0.00 -0.53 0.00 0.00 39.78 35.10 1sn1 n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sn1 s VAL 13 N -0.67 2.70 -0.43 0.00 -7.23 -1.26 -1.04 120.40 112.47 1sn1 s VAL 13 Ca 0.08 0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 60.16 1sn1 s VAL 13 Cb -0.08 -3.20 0.02 0.00 0.56 0.00 0.00 36.38 33.68 1sn1 s VAL 13 CO 0.01 -0.25 0.60 -0.31 -0.31 0.00 0.00 175.10 174.83 1sn1 s TYR 14 N -3.40 3.09 0.61 2.82 1.51 -1.26 -4.76 117.35 115.97 1sn1 s TYR 14 Ca 0.60 -0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 56.38 1sn1 s TYR 14 Cb -0.11 -3.23 -0.03 0.00 -0.11 0.00 0.00 41.96 38.48 1sn1 s TYR 14 CO 0.49 -0.81 1.24 -0.85 -1.11 0.00 0.00 175.55 174.51 1sn1 n GLU 15 N 6.10 1.23 -3.46 -0.62 0.28 -1.26 -1.88 120.64 121.03 1sn1 n GLU 15 Ca -0.03 0.47 -0.10 0.00 -0.16 0.00 0.00 57.16 57.34 1sn1 n GLU 15 Cb 0.48 -2.47 -0.02 0.00 1.43 0.00 0.00 31.44 30.86 1sn1 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sn1 n ALA 17 N -0.33 1.11 -2.85 0.00 0.00 -1.26 -4.70 120.51 112.49 1sn1 n ALA 17 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 1sn1 n ALA 17 Cb 0.64 0.06 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 1sn1 n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sn1 s ARG 18 N -1.11 3.71 0.35 0.00 0.52 -1.26 -4.98 118.95 116.18 1sn1 s ARG 18 Ca 0.00 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1sn1 s ARG 18 Cb 0.00 -3.04 0.64 0.00 0.52 0.00 0.00 34.95 33.07 1sn1 s ARG 18 CO 0.00 0.33 1.82 -0.91 0.02 0.00 0.00 175.30 176.56 1sn1 h ASN 19 N 6.44 0.22 0.06 0.23 2.35 -1.94 -3.07 115.58 119.88 1sn1 h ASN 19 Ca -0.37 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.19 1sn1 h ASN 19 Cb 1.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1sn1 h ASN 19 CO 0.65 0.49 -0.42 -0.33 -1.65 0.00 0.00 177.43 176.17 1sn1 h GLU 20 N 0.21 0.45 -0.28 0.81 3.07 -1.95 -1.45 114.58 115.42 1sn1 h GLU 20 Ca 0.03 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1sn1 h GLU 20 Cb 0.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1sn1 h GLU 20 CO 0.04 0.79 0.16 -0.92 -1.40 0.00 0.00 179.01 177.68 1sn1 h TYR 21 N 0.37 0.38 -0.26 4.33 3.20 -1.93 -1.90 116.97 121.16 1sn1 h TYR 21 Ca 0.03 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1sn1 h TYR 21 Cb 0.89 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1sn1 h TYR 21 CO 0.03 0.30 -0.23 0.00 -1.64 0.00 0.00 178.16 176.63 1sn1 h ASN 23 N 0.43 1.03 0.32 0.00 -1.24 -0.92 0.64 115.58 115.85 1sn1 h ASN 23 Ca 0.07 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 56.83 1sn1 h ASN 23 Cb 0.63 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1sn1 h ASN 23 CO 0.05 1.00 -0.16 -0.78 -1.29 0.00 0.00 177.43 176.25 1sn1 h ASP 24 N 1.02 -0.37 -0.73 1.15 3.58 -1.00 0.04 116.42 120.12 1sn1 h ASP 24 Ca 0.21 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1sn1 h ASP 24 Cb 0.36 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1sn1 h ASP 24 CO 0.00 -0.20 0.34 0.25 -2.88 0.00 0.00 179.24 176.75 1sn1 h LEU 25 N -0.51 0.96 0.12 2.28 5.85 -1.15 -0.09 115.31 122.77 1sn1 h LEU 25 Ca -0.04 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1sn1 h LEU 25 Cb 0.38 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1sn1 h LEU 25 CO 0.07 0.83 -0.06 0.00 -0.34 0.00 0.00 178.44 178.95 1sn1 h THR 27 N -0.53 0.88 0.00 0.00 1.35 -0.98 -0.44 112.91 113.19 1sn1 h THR 27 Ca -0.02 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 1sn1 h THR 27 Cb 0.43 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1sn1 h THR 27 CO 0.03 0.20 -0.12 0.50 -0.25 0.00 0.00 175.52 175.88 1sn1 h LYS 28 N 0.00 0.00 -0.65 4.72 3.64 -0.88 -1.50 116.57 121.91 1sn1 h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sn1 h LYS 28 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sn1 h LYS 28 CO 0.03 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.42 1sn1 n ASN 29 N -3.44 4.75 0.00 4.20 4.13 -0.27 -4.93 115.26 119.70 1sn1 n ASN 29 Ca -0.01 -2.51 0.00 0.00 1.68 0.00 0.00 54.58 53.74 1sn1 n ASN 29 Cb 0.29 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 1sn1 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sn1 n GLY 30 N 1.01 0.73 3.91 7.41 0.00 -0.56 -4.59 105.19 113.10 1sn1 n GLY 30 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1sn1 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sn1 s ALA 31 N -2.33 3.11 0.13 4.61 0.00 -0.63 -4.52 121.76 122.13 1sn1 s ALA 31 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1sn1 s ALA 31 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1sn1 s ALA 31 CO 0.00 -1.05 1.50 -0.22 0.00 0.00 0.00 175.76 175.99 1sn1 h LYS 32 N -0.45 0.85 0.00 0.00 1.63 -1.17 -3.35 116.57 114.08 1sn1 h LYS 32 Ca -0.45 -0.39 0.28 0.00 -0.85 0.00 0.00 60.65 59.24 1sn1 h LYS 32 Cb 1.27 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.83 1sn1 h LYS 32 CO 0.62 1.03 0.77 -1.13 -3.45 0.00 0.00 179.45 177.28 1sn1 n SER 33 N -4.21 -1.20 -3.60 4.20 3.41 -1.23 -4.86 113.62 106.14 1sn1 n SER 33 Ca -0.02 -1.36 -0.05 0.00 -0.26 0.00 0.00 58.87 57.19 1sn1 n SER 33 Cb 0.45 1.88 -0.02 0.00 -0.26 0.00 0.00 64.21 66.27 1sn1 n SER 33 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sn1 s GLY 34 N -3.66 -0.36 0.28 5.00 0.00 -1.26 -1.13 107.32 106.19 1sn1 s GLY 34 Ca 0.26 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 45.85 1sn1 s GLY 34 CO 0.01 0.30 0.48 -2.52 0.00 0.00 0.00 173.10 171.36 1sn1 s TYR 35 N -2.82 0.58 -0.15 1.90 -0.85 -0.56 -3.18 117.35 112.27 1sn1 s TYR 35 Ca 0.09 -0.93 -0.19 0.00 -0.52 0.00 0.00 57.07 55.53 1sn1 s TYR 35 Cb -0.00 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 1sn1 s TYR 35 CO -0.05 -1.06 0.53 0.00 -1.52 0.00 0.00 175.55 173.45 1sn1 s GLN 37 N 1.17 1.64 0.21 0.00 2.00 -0.06 -4.94 119.66 119.68 1sn1 s GLN 37 Ca 0.26 -0.35 -0.30 0.00 -2.00 0.00 0.00 55.36 52.97 1sn1 s GLN 37 Cb -0.15 -1.49 -0.08 0.00 0.80 0.00 0.00 33.01 32.08 1sn1 s GLN 37 CO 0.11 -0.10 0.96 -0.46 -0.50 0.00 0.00 175.29 175.29 1sn1 s TRP 38 N 1.11 3.92 -0.05 1.67 -0.00 -1.26 -1.27 118.94 123.05 1sn1 s TRP 38 Ca -0.06 1.87 -0.01 0.00 -0.00 0.00 0.00 56.10 57.90 1sn1 s TRP 38 Cb -0.14 -3.02 0.03 0.00 -0.00 0.00 0.00 33.47 30.33 1sn1 s TRP 38 CO -0.02 0.31 0.03 0.54 -0.00 0.00 0.00 176.95 177.81 1sn1 s VAL 39 N -0.90 0.10 0.12 5.86 0.11 0.43 -4.94 120.40 121.19 1sn1 s VAL 39 Ca 0.43 0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 59.45 1sn1 s VAL 39 Cb -0.26 -0.29 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 1sn1 s VAL 39 CO 0.32 0.19 1.60 1.23 -3.33 0.00 0.00 175.10 175.11 1sn1 h GLY 40 N 8.12 -0.69 1.47 6.54 0.00 -1.96 4.04 103.07 120.59 1sn1 h GLY 40 Ca -0.22 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1sn1 h GLY 40 CO 0.26 -0.24 0.27 0.07 0.00 0.00 0.00 176.54 176.89 1sn1 h LYS 41 N -0.54 0.00 0.00 4.80 2.10 -2.03 -3.12 116.57 117.77 1sn1 h LYS 41 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1sn1 h LYS 41 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1sn1 h LYS 41 CO -0.30 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.81 1sn1 n TYR 42 N -2.93 0.00 -3.59 0.07 4.01 -0.51 -5.12 117.16 109.09 1sn1 n TYR 42 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1sn1 n TYR 42 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1sn1 n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sn1 n GLY 43 N 0.47 0.04 3.73 2.72 0.00 1.32 -4.77 105.19 108.70 1sn1 n GLY 43 Ca 0.00 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1sn1 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sn1 s ASN 44 N -4.00 6.77 0.08 1.61 0.01 -1.26 0.16 114.94 118.32 1sn1 s ASN 44 Ca 0.00 0.92 -0.04 0.00 -0.71 0.00 0.00 52.86 53.03 1sn1 s ASN 44 Cb 0.00 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1sn1 s ASN 44 CO 0.00 0.02 0.08 -0.83 -1.51 0.00 0.00 177.10 174.86 1sn1 s GLY 45 N 0.42 0.40 -0.07 0.66 0.00 -0.40 -3.19 107.32 105.14 1sn1 s GLY 45 Ca 0.28 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1sn1 s GLY 45 CO 0.12 -1.11 1.03 0.00 0.00 0.00 0.00 173.10 173.14 1sn1 s TRP 47 N 1.79 3.02 -0.03 0.00 -0.11 0.06 -2.82 118.94 120.86 1sn1 s TRP 47 Ca 0.50 -0.49 0.01 0.00 1.22 0.00 0.00 56.10 57.35 1sn1 s TRP 47 Cb -0.20 -2.06 -0.03 0.00 -1.50 0.00 0.00 33.47 29.67 1sn1 s TRP 47 CO 0.21 -0.24 -0.02 0.00 -4.62 0.00 0.00 176.95 172.28 1sn1 s ILE 49 N -0.99 4.78 -1.22 0.00 1.01 -0.28 -1.82 121.20 122.68 1sn1 s ILE 49 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 1sn1 s ILE 49 Cb -0.11 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1sn1 s ILE 49 CO 0.07 0.52 1.04 -0.62 0.00 0.00 0.00 174.94 175.95 1sn1 n GLU 50 N 2.97 -6.99 -2.54 2.79 1.02 -1.21 -0.97 120.64 115.71 1sn1 n GLU 50 Ca -0.18 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.35 1sn1 n GLU 50 Cb 0.53 -5.70 -0.04 0.00 -0.02 0.00 0.00 31.44 26.21 1sn1 n GLU 50 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1sn1 s LEU 51 N -6.59 4.45 0.50 -4.62 0.20 0.63 -3.91 118.68 109.35 1sn1 s LEU 51 Ca 0.30 1.99 -0.22 0.00 0.69 0.00 0.00 54.13 56.89 1sn1 s LEU 51 Cb -0.13 -3.59 -0.08 0.00 -0.43 0.00 0.00 46.19 41.95 1sn1 s LEU 51 CO 0.69 -0.26 0.97 -2.65 -0.29 0.00 0.00 176.35 174.81 1sn1 n PRO 52 N 2.94 1.16 -0.03 0.98 -0.02 -1.26 -1.88 135.00 136.89 1sn1 n PRO 52 Ca 0.04 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1sn1 n PRO 52 Cb 0.47 -2.09 0.57 0.00 -0.02 0.00 0.00 33.50 32.44 1sn1 n PRO 52 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1sn1 h ASP 53 N 1.08 0.22 0.39 2.55 3.32 -1.94 -2.38 116.42 119.67 1sn1 h ASP 53 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1sn1 h ASP 53 Cb 1.35 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1sn1 h ASP 53 CO 0.54 0.13 -0.02 -0.46 -1.72 0.00 0.00 179.24 177.71 1sn1 n ASN 54 N -4.45 0.10 -4.71 6.45 6.94 -1.26 -4.75 115.26 113.58 1sn1 n ASN 54 Ca 0.09 -0.44 -0.39 0.00 -0.02 0.00 0.00 54.58 53.82 1sn1 n ASN 54 Cb 0.42 -0.18 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 1sn1 n ASN 54 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sn1 s VAL 55 N -2.41 5.13 0.32 3.53 1.01 -0.90 -5.03 120.40 122.05 1sn1 s VAL 55 Ca 0.33 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1sn1 s VAL 55 Cb 0.21 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1sn1 s VAL 55 CO 0.44 0.28 1.36 -2.65 0.00 0.00 0.00 175.10 174.53 1sn1 n PRO 56 N 3.89 2.23 -4.41 2.72 -0.02 -1.26 -4.94 135.00 133.20 1sn1 n PRO 56 Ca -0.05 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 1sn1 n PRO 56 Cb 0.51 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1sn1 n PRO 56 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1sn1 s ILE 57 N -0.80 1.34 -0.02 4.25 -4.36 -1.26 -1.67 121.20 118.68 1sn1 s ILE 57 Ca 0.58 -2.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1sn1 s ILE 57 Cb -0.57 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 1sn1 s ILE 57 CO 0.59 -0.21 1.16 -0.60 0.24 0.00 0.00 174.94 176.12 1sn1 s ARG 58 N -3.82 4.40 0.36 0.37 6.06 -0.56 -4.69 118.95 121.08 1sn1 s ARG 58 Ca 0.31 1.65 0.07 0.00 -2.50 0.00 0.00 55.73 55.26 1sn1 s ARG 58 Cb 0.06 -3.49 -0.07 0.00 0.06 0.00 0.00 34.95 31.51 1sn1 s ARG 58 CO 0.12 -0.35 -0.01 0.14 -2.50 0.00 0.00 175.30 172.70 1sn1 s VAL 59 N 1.77 1.85 0.50 7.11 -7.23 -1.26 -4.79 120.40 118.36 1sn1 s VAL 59 Ca 0.56 -2.06 -0.23 0.00 -1.81 0.00 0.00 61.98 58.43 1sn1 s VAL 59 Cb -0.25 -2.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 1sn1 s VAL 59 CO 0.24 -0.09 1.33 -2.65 -0.31 0.00 0.00 175.10 173.62 1sn1 n PRO 60 N -0.82 1.81 0.00 4.82 -0.02 -1.26 -4.84 135.00 134.68 1sn1 n PRO 60 Ca -0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1sn1 n PRO 60 Cb 0.66 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1sn1 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sn1 n GLY 61 N 0.77 1.07 3.71 -1.23 0.00 -1.26 -5.08 105.19 103.18 1sn1 n GLY 61 Ca 0.09 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 1sn1 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sn1 s LYS 62 N -1.04 4.33 0.08 1.61 2.20 -1.26 -5.03 119.74 120.63 1sn1 s LYS 62 Ca 0.00 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.82 1sn1 s LYS 62 Cb 0.00 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 1sn1 s LYS 62 CO 0.00 0.09 1.21 0.00 -0.36 0.00 0.00 175.35 176.29