#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1t s ILE 2 N 0.00 0.92 -0.09 -0.18 2.07 -0.42 -4.87 121.20 118.63 1t1t s ILE 2 Ca 0.00 -1.59 0.03 0.00 -1.41 0.00 0.00 60.65 57.68 1t1t s ILE 2 Cb 0.00 -1.30 0.01 0.00 0.13 0.00 0.00 42.46 41.30 1t1t s ILE 2 CO 0.00 -0.53 -0.17 1.51 -1.91 0.00 0.00 174.94 173.84 1t1t s ASP 3 N -2.35 2.39 0.00 4.50 -4.77 -1.26 -1.43 116.67 113.75 1t1t s ASP 3 Ca 0.04 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.87 1t1t s ASP 3 Cb -0.04 -1.09 0.00 0.00 -1.09 0.00 0.00 42.92 40.70 1t1t s ASP 3 CO 0.00 0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.55 1t1t n GLY 4 N 3.84 1.62 3.19 2.12 0.00 -1.07 -5.02 105.19 109.87 1t1t n GLY 4 Ca -0.21 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1t1t n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t1t s TYR 5 N -4.74 3.42 -0.40 1.61 1.51 -1.25 -1.43 117.35 116.06 1t1t s TYR 5 Ca 0.00 -1.94 -0.29 0.00 -1.01 0.00 0.00 57.07 53.83 1t1t s TYR 5 Cb 0.00 -2.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.02 1t1t s TYR 5 CO 0.00 -0.88 1.29 -1.25 -1.11 0.00 0.00 175.55 173.59 1t1t s PRO 6 N 1.28 3.72 0.00 -1.71 0.04 1.66 -0.33 135.00 139.65 1t1t s PRO 6 Ca 0.03 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1t1t s PRO 6 Cb -0.22 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1t1t s PRO 6 CO -0.01 -1.38 0.00 1.33 0.04 0.00 0.00 177.00 176.98 1t1t n VAL 7 N 6.76 0.00 0.00 -0.36 0.24 -0.55 -4.52 118.33 119.90 1t1t n VAL 7 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1t1t n VAL 7 Cb 0.48 -1.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 1t1t n VAL 7 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1t1t n ASP 8 N -3.00 0.00 -0.05 -1.34 5.75 -1.25 -4.93 116.55 111.73 1t1t n ASP 8 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1t1t n ASP 8 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1t1t n ASP 8 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t1t n TYR 9 N 0.00 0.49 -1.23 2.11 9.36 -1.26 -4.57 117.16 122.06 1t1t n TYR 9 Ca 0.00 0.21 -0.06 0.00 3.32 0.00 0.00 57.90 61.37 1t1t n TYR 9 Cb 0.00 -0.54 0.23 0.00 -0.63 0.00 0.00 39.34 38.40 1t1t n TYR 9 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1t1t n TRP 10 N -3.84 1.78 -0.87 2.98 8.01 -1.26 -4.88 117.44 119.36 1t1t n TRP 10 Ca -0.06 -1.44 0.00 0.00 -1.31 0.00 0.00 57.50 54.69 1t1t n TRP 10 Cb 0.22 -0.60 0.00 0.00 -2.01 0.00 0.00 31.31 28.92 1t1t n TRP 10 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1t1t n ASN 11 N -0.81 -2.86 -0.02 -0.99 3.02 -1.26 -0.37 115.26 111.97 1t1t n ASN 11 Ca 0.38 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.93 1t1t n ASN 11 Cb 1.23 -2.06 -0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1t1t n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t1t n LYS 13 N -3.12 0.00 -3.15 0.00 4.76 -1.26 -4.76 118.16 110.62 1t1t n LYS 13 Ca -0.01 0.19 0.05 0.00 -2.87 0.00 0.00 58.31 55.67 1t1t n LYS 13 Cb 0.04 -0.64 -0.01 0.00 -1.84 0.00 0.00 35.03 32.58 1t1t n LYS 13 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1t1t s ARG 14 N -0.43 0.42 0.61 1.97 3.52 -1.26 -4.99 118.95 118.79 1t1t s ARG 14 Ca 0.00 0.71 0.26 0.00 -0.13 0.00 0.00 55.73 56.57 1t1t s ARG 14 Cb 0.00 0.39 1.27 0.00 -1.56 0.00 0.00 34.95 35.05 1t1t s ARG 14 CO 0.00 -0.49 1.70 -0.84 -0.81 0.00 0.00 175.30 174.86 1t1t h ILE 15 N 5.71 0.19 -2.71 4.11 3.07 -1.86 -3.33 117.51 122.68 1t1t h ILE 15 Ca -0.18 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.09 1t1t h ILE 15 Cb 1.17 0.44 -0.28 0.00 -0.27 0.00 0.00 36.82 37.87 1t1t h ILE 15 CO 0.11 0.00 -0.38 0.00 -1.05 0.00 0.00 178.15 176.83 1t1t n TRP 17 N 4.66 -0.76 -0.10 0.00 -0.00 -1.26 -4.92 117.44 115.05 1t1t n TRP 17 Ca -0.18 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.14 1t1t n TRP 17 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.78 1t1t n TRP 17 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1t1t n TYR 18 N -0.35 0.00 -1.66 5.87 4.19 -1.26 -4.89 117.16 119.06 1t1t n TYR 18 Ca 0.00 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.78 1t1t n TYR 18 Cb 0.00 -0.70 -0.03 0.00 0.49 0.00 0.00 39.34 39.10 1t1t n TYR 18 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1t1t s ASN 19 N -6.64 5.85 0.35 2.98 0.01 -1.26 -4.80 114.94 111.43 1t1t s ASN 19 Ca -0.31 2.15 0.23 0.00 -0.71 0.00 0.00 52.86 54.22 1t1t s ASN 19 Cb 0.09 -2.52 1.26 0.00 0.41 0.00 0.00 41.25 40.49 1t1t s ASN 19 CO 0.42 -1.61 1.70 -0.55 -1.51 0.00 0.00 177.10 175.56 1t1t h ASN 20 N 13.26 0.00 0.43 -1.22 7.08 -1.92 -0.99 115.58 132.21 1t1t h ASN 20 Ca -0.44 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 52.54 1t1t h ASN 20 Cb 1.23 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.43 1t1t h ASN 20 CO 0.96 0.00 -1.77 2.29 -2.08 0.00 0.00 177.43 176.82 1t1t n LYS 21 N -2.32 0.64 -0.05 4.14 2.85 -1.26 -3.77 118.16 118.40 1t1t n LYS 21 Ca -0.02 0.17 -0.10 0.00 -1.05 0.00 0.00 58.31 57.32 1t1t n LYS 21 Cb 0.05 -1.72 -0.04 0.00 -0.65 0.00 0.00 35.03 32.67 1t1t n LYS 21 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1t1t h TYR 22 N 0.00 0.27 -0.69 5.58 3.20 -1.53 -2.24 116.97 121.57 1t1t h TYR 22 Ca -0.28 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.52 1t1t h TYR 22 Cb 1.85 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 40.01 1t1t h TYR 22 CO 0.00 0.20 0.17 0.00 -1.64 0.00 0.00 178.16 176.88 1t1t h ASN 24 N 1.03 0.58 0.65 0.00 -0.00 -0.86 -0.18 115.58 116.79 1t1t h ASN 24 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.49 1t1t h ASN 24 Cb 0.37 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1t1t h ASN 24 CO 0.00 0.37 -0.38 -0.78 -0.00 0.00 0.00 177.43 176.65 1t1t h ASP 25 N 0.66 -0.94 -0.73 1.15 3.58 -0.99 0.18 116.42 119.33 1t1t h ASP 25 Ca 0.28 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1t1t h ASP 25 Cb 0.28 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1t1t h ASP 25 CO -0.09 -0.60 0.31 0.25 -2.88 0.00 0.00 179.24 176.23 1t1t h LEU 26 N -0.96 1.01 -1.09 2.28 6.46 -1.48 -2.33 115.31 119.18 1t1t h LEU 26 Ca -0.08 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1t1t h LEU 26 Cb 0.77 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1t1t h LEU 26 CO 0.10 0.88 0.24 0.00 -0.62 0.00 0.00 178.44 179.04 1t1t h LYS 28 N 0.87 0.00 0.00 0.00 1.63 -0.10 0.18 116.57 119.14 1t1t h LYS 28 Ca 0.21 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1t1t h LYS 28 Cb 0.17 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1t1t h LYS 28 CO -0.02 0.18 -0.10 0.78 -3.45 0.00 0.00 179.45 176.84 1t1t h GLY 29 N 0.59 0.00 -3.05 5.01 0.00 -1.02 0.21 103.07 104.81 1t1t h GLY 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t1t h GLY 29 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1t1t n LEU 30 N -4.03 4.81 -0.06 3.11 4.77 0.17 -4.87 117.00 120.89 1t1t n LEU 30 Ca -0.02 -2.44 -0.01 0.00 -0.03 0.00 0.00 56.01 53.51 1t1t n LEU 30 Cb 0.19 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1t1t n LEU 30 CO 0.32 0.57 -0.01 1.17 -1.33 0.00 0.00 177.39 178.12 1t1t n LYS 31 N 0.56 -0.83 -2.78 3.23 4.81 0.73 -3.61 118.16 120.27 1t1t n LYS 31 Ca 0.23 0.27 -0.43 0.00 -0.87 0.00 0.00 58.31 57.51 1t1t n LYS 31 Cb 1.00 -3.93 -0.04 0.00 0.02 0.00 0.00 35.03 32.08 1t1t n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t1t s ALA 32 N -1.64 3.07 0.00 3.14 0.00 0.38 -4.21 121.76 122.50 1t1t s ALA 32 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1t1t s ALA 32 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1t1t s ALA 32 CO 0.00 -2.64 0.46 -0.25 0.00 0.00 0.00 175.76 173.32 1t1t n ASP 33 N 7.89 0.00 -4.56 0.00 9.92 -0.92 -3.07 116.55 125.82 1t1t n ASP 33 Ca 0.01 0.46 -0.28 0.00 -0.53 0.00 0.00 54.79 54.45 1t1t n ASP 33 Cb 0.47 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.91 1t1t n ASP 33 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1t1t s SER 34 N -1.94 4.79 -0.68 -2.24 1.04 -1.25 -4.79 113.70 108.63 1t1t s SER 34 Ca 0.00 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1t1t s SER 34 Cb 0.00 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.75 1t1t s SER 34 CO 0.00 -2.92 0.48 -0.83 0.98 0.00 0.00 173.24 170.95 1t1t s GLY 35 N 9.29 2.77 0.14 7.32 0.00 -1.26 -1.80 107.32 123.78 1t1t s GLY 35 Ca 0.78 -3.60 0.08 0.00 0.00 0.00 0.00 44.72 41.99 1t1t s GLY 35 CO 0.11 1.09 -0.13 -2.52 0.00 0.00 0.00 173.10 171.64 1t1t s TYR 36 N -0.90 2.61 0.24 1.90 -0.85 0.14 -1.25 117.35 119.24 1t1t s TYR 36 Ca 0.22 -0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.53 1t1t s TYR 36 Cb -0.13 -1.34 -0.04 0.00 0.38 0.00 0.00 41.96 40.82 1t1t s TYR 36 CO -0.09 0.44 0.44 0.00 -1.52 0.00 0.00 175.55 174.82 1t1t s TRP 38 N -1.97 3.03 -0.09 0.00 -0.11 -1.05 -4.86 118.94 113.90 1t1t s TRP 38 Ca 0.40 0.86 0.13 0.00 1.22 0.00 0.00 56.10 58.71 1t1t s TRP 38 Cb -0.11 -3.35 -0.19 0.00 -1.50 0.00 0.00 33.47 28.32 1t1t s TRP 38 CO 0.30 -1.63 0.14 0.41 -4.62 0.00 0.00 176.95 171.55 1t1t n GLY 39 N -3.11 -0.67 0.00 5.86 0.00 -1.26 -4.85 105.19 101.16 1t1t n GLY 39 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1t1t n GLY 39 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1t1t n TRP 40 N -2.32 0.00 -2.69 1.61 -0.00 -1.26 -4.96 117.44 107.81 1t1t n TRP 40 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.30 1t1t n TRP 40 Cb 0.74 0.00 0.12 0.00 -0.00 0.00 0.00 31.31 32.16 1t1t n TRP 40 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1t1t n THR 41 N 0.00 0.11 -1.46 5.87 -2.24 -1.26 -4.96 114.28 110.34 1t1t n THR 41 Ca 0.00 -1.48 -0.10 0.00 -2.27 0.00 0.00 64.05 60.20 1t1t n THR 41 Cb 0.00 0.99 0.18 0.00 -2.10 0.00 0.00 70.33 69.40 1t1t n THR 41 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1t1t n LEU 42 N -0.88 4.70 0.00 3.22 4.77 -1.26 -5.08 117.00 122.46 1t1t n LEU 42 Ca -0.07 -3.84 0.04 0.00 -0.03 0.00 0.00 56.01 52.11 1t1t n LEU 42 Cb 0.86 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1t1t n LEU 42 CO -0.08 1.30 -0.05 -0.24 -1.33 0.00 0.00 177.39 176.99 1t1t n SER 43 N -1.10 -5.00 -4.87 -1.43 2.88 -1.26 -4.75 113.62 98.09 1t1t n SER 43 Ca 0.39 0.31 -0.30 0.00 -1.33 0.00 0.00 58.87 57.95 1t1t n SER 43 Cb 1.11 -0.92 0.07 0.00 -0.75 0.00 0.00 64.21 63.73 1t1t n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t1t s TYR 45 N -3.39 0.08 -0.02 0.00 6.14 0.65 -3.79 117.35 117.03 1t1t s TYR 45 Ca 0.60 0.24 0.01 0.00 0.64 0.00 0.00 57.07 58.57 1t1t s TYR 45 Cb -0.12 -0.49 0.01 0.00 0.42 0.00 0.00 41.96 41.78 1t1t s TYR 45 CO 0.51 -0.19 -0.04 0.00 0.64 0.00 0.00 175.55 176.47 1t1t s GLN 47 N 0.39 2.25 0.00 0.00 -0.21 -0.75 -2.60 119.66 118.74 1t1t s GLN 47 Ca -0.04 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1t1t s GLN 47 Cb -0.08 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.68 1t1t s GLN 47 CO -0.00 0.57 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 1t1t n GLY 48 N 1.88 1.80 3.98 3.09 0.00 -0.51 -2.16 105.19 113.26 1t1t n GLY 48 Ca -0.16 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1t1t n GLY 48 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t1t s LEU 49 N -0.00 3.11 0.67 0.99 2.34 -0.99 -2.67 118.68 122.12 1t1t s LEU 49 Ca 0.00 -0.88 -0.14 0.00 0.06 0.00 0.00 54.13 53.16 1t1t s LEU 49 Cb 0.00 -1.71 0.00 0.00 -0.56 0.00 0.00 46.19 43.93 1t1t s LEU 49 CO 0.00 -1.11 1.10 -2.16 -1.06 0.00 0.00 176.35 173.12 1t1t s PRO 50 N -4.45 2.79 0.60 1.48 0.04 -1.24 -1.31 135.00 132.92 1t1t s PRO 50 Ca 0.52 1.31 0.40 0.00 0.04 0.00 0.00 61.00 63.27 1t1t s PRO 50 Cb -0.05 -1.95 2.18 0.00 0.04 0.00 0.00 34.50 34.71 1t1t s PRO 50 CO 0.32 -1.25 2.23 0.22 0.04 0.00 0.00 177.00 178.56 1t1t h ASP 51 N -0.12 0.00 -0.69 6.66 3.58 -1.96 0.17 116.42 124.07 1t1t h ASP 51 Ca -0.46 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.77 1t1t h ASP 51 Cb 1.24 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.16 1t1t h ASP 51 CO 0.54 0.00 0.25 -3.20 -2.88 0.00 0.00 179.24 173.95 1t1t n ASN 52 N -2.92 4.51 -4.68 2.28 4.05 -1.26 -4.97 115.26 112.27 1t1t n ASN 52 Ca -0.03 -3.28 -0.42 0.00 0.45 0.00 0.00 54.58 51.30 1t1t n ASN 52 Cb 0.08 -0.73 -0.03 0.00 1.23 0.00 0.00 39.78 40.33 1t1t n ASN 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1t1t s ALA 53 N -3.03 3.66 -0.27 5.20 0.00 0.61 -4.91 121.76 123.02 1t1t s ALA 53 Ca 0.54 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 1t1t s ALA 53 Cb 0.43 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1t1t s ALA 53 CO 0.12 -1.25 1.72 0.50 0.00 0.00 0.00 175.76 176.84 1t1t s ARG 54 N 3.25 3.56 -0.07 0.00 3.52 -1.26 -4.96 118.95 122.98 1t1t s ARG 54 Ca 0.77 1.55 -0.03 0.00 -0.13 0.00 0.00 55.73 57.89 1t1t s ARG 54 Cb -0.39 -4.12 0.04 0.00 -1.56 0.00 0.00 34.95 28.92 1t1t s ARG 54 CO 0.33 -1.58 0.15 0.96 -0.81 0.00 0.00 175.30 174.36 1t1t s ILE 55 N 6.06 -0.09 -0.67 4.11 -5.25 -1.26 -3.80 121.20 120.30 1t1t s ILE 55 Ca 0.76 0.21 -0.04 0.00 -0.99 0.00 0.00 60.65 60.59 1t1t s ILE 55 Cb -0.24 -0.26 0.01 0.00 2.95 0.00 0.00 42.46 44.92 1t1t s ILE 55 CO 0.32 0.09 0.08 0.29 -1.79 0.00 0.00 174.94 173.93 1t1t n LYS 56 N 4.43 -0.89 0.00 0.37 4.76 0.55 -4.72 118.16 122.66 1t1t n LYS 56 Ca -0.22 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1t1t n LYS 56 Cb 0.51 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1t1t n LYS 56 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1t1t n ARG 57 N -2.70 1.25 -3.43 1.97 1.85 -1.26 -5.06 116.66 109.28 1t1t n ARG 57 Ca -0.12 -0.91 -0.30 0.00 -1.00 0.00 0.00 57.85 55.51 1t1t n ARG 57 Cb 0.30 -0.78 -0.04 0.00 -1.05 0.00 0.00 32.46 30.89 1t1t n ARG 57 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1t1t s SER 58 N -0.45 6.53 0.00 2.89 0.01 -1.26 -5.09 113.70 116.32 1t1t s SER 58 Ca 0.00 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1t1t s SER 58 Cb 0.00 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1t1t s SER 58 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1t1t n GLY 59 N -0.42 0.70 3.46 3.44 0.00 -1.26 -4.87 105.19 106.24 1t1t n GLY 59 Ca -0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1t1t n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t1t s ARG 60 N 0.00 3.48 -0.10 1.61 1.81 -1.26 -4.71 118.95 119.78 1t1t s ARG 60 Ca 0.00 -1.47 -0.07 0.00 -1.72 0.00 0.00 55.73 52.47 1t1t s ARG 60 Cb 0.00 -4.80 0.03 0.00 -0.45 0.00 0.00 34.95 29.73 1t1t s ARG 60 CO 0.00 -1.83 0.14 0.00 -0.68 0.00 0.00 175.30 172.93 1t1t n ARG 62 N 2.00 1.80 0.00 0.00 0.63 0.50 -4.98 116.66 116.61 1t1t n ARG 62 Ca -0.23 -1.00 0.00 0.00 -0.92 0.00 0.00 57.85 55.70 1t1t n ARG 62 Cb 0.36 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1t1t n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12