#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 n SER 35 N 0.00 1.17 0.27 6.43 7.64 -1.26 -3.91 113.62 123.95 3i55 n SER 35 Ca 0.00 -1.93 0.14 0.00 1.01 0.00 0.00 58.87 58.09 3i55 n SER 35 Cb 0.00 -0.48 0.73 0.00 -1.01 0.00 0.00 64.21 63.44 3i55 n SER 35 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3i55 h GLY 36 N 4.76 0.00 2.00 0.23 0.00 -1.96 -0.79 103.07 107.31 3i55 h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i55 h GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 3i55 h ARG 37 N 0.00 0.00 -0.35 4.80 0.11 -2.04 -1.45 114.38 115.45 3i55 h ARG 37 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i55 h ARG 37 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3i55 h ARG 37 CO 0.01 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.27 3i55 n PHE 38 N -2.60 0.30 0.00 4.08 0.99 -0.30 -4.99 117.46 114.94 3i55 n PHE 38 Ca 0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.32 3i55 n PHE 38 Cb 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.64 3i55 n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i55 n GLY 39 N 0.63 0.86 2.30 1.37 0.00 -0.55 -2.49 105.19 107.32 3i55 n GLY 39 Ca 0.06 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 3i55 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 40 N 3.35 6.01 -4.39 4.61 0.00 -1.26 -4.90 120.51 123.93 3i55 n ALA 40 Ca 0.00 -2.68 -0.25 0.00 0.00 0.00 0.00 53.44 50.51 3i55 n ALA 40 Cb 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 3i55 n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i55 n ARG 41 N 0.50 0.56 0.00 0.00 1.74 -1.04 -4.94 116.66 113.47 3i55 n ARG 41 Ca 0.44 -3.27 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 3i55 n ARG 41 Cb 0.55 1.94 0.00 0.00 -1.02 0.00 0.00 32.46 33.93 3i55 n ARG 41 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i55 n TYR 42 N -0.83 0.00 0.00 -1.55 4.02 -1.26 -4.88 117.16 112.67 3i55 n TYR 42 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3i55 n TYR 42 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 3i55 n TYR 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i55 n GLY 43 N 0.00 0.77 0.11 2.72 0.00 -1.26 -4.75 105.19 102.78 3i55 n GLY 43 Ca 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 3i55 n GLY 43 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i55 h ARG 44 N 8.08 0.24 0.00 1.61 3.08 -1.98 -3.17 114.38 122.25 3i55 h ARG 44 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3i55 h ARG 44 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i55 h ARG 44 CO 0.00 0.74 0.00 0.28 -1.07 0.00 0.00 179.97 179.92 3i55 n VAL 45 N -4.59 0.87 0.09 2.04 0.31 -1.26 -2.42 118.33 113.37 3i55 n VAL 45 Ca -0.08 0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 3i55 n VAL 45 Cb 0.38 -1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.15 3i55 n VAL 45 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i55 h SER 46 N 0.00 0.26 -0.44 4.52 0.02 -1.84 -1.87 113.55 114.20 3i55 h SER 46 Ca 0.00 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 3i55 h SER 46 Cb 0.33 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 3i55 h SER 46 CO 0.00 1.12 0.07 -2.11 -1.14 0.00 0.00 176.83 174.78 3i55 n ARG 47 N -3.56 2.83 0.00 3.45 1.85 -1.06 -3.88 116.66 116.29 3i55 n ARG 47 Ca -0.04 -3.01 0.00 0.00 -1.00 0.00 0.00 57.85 53.79 3i55 n ARG 47 Cb 0.90 -1.95 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 3i55 n ARG 47 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i55 n ARG 48 N -0.60 0.00 0.12 2.89 0.63 -1.01 -4.34 116.66 114.34 3i55 n ARG 48 Ca 0.31 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.36 3i55 n ARG 48 Cb 1.10 -0.73 0.02 0.00 0.45 0.00 0.00 32.46 33.30 3i55 n ARG 48 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i55 h ARG 49 N 0.00 0.00 0.00 -0.14 3.08 -1.55 -2.66 114.38 113.11 3i55 h ARG 49 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3i55 h ARG 49 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 3i55 h ARG 49 CO 0.00 0.00 -2.24 0.28 -1.07 0.00 0.00 179.97 176.94 3i55 n VAL 50 N -2.75 1.19 0.07 2.04 0.31 -1.25 -3.64 118.33 114.30 3i55 n VAL 50 Ca 0.01 -0.76 -0.09 0.00 -0.01 0.00 0.00 64.34 63.48 3i55 n VAL 50 Cb 0.55 -0.48 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 3i55 n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i55 h ALA 51 N 0.96 0.33 0.00 3.52 0.00 -1.76 -3.04 119.26 119.26 3i55 h ALA 51 Ca -0.47 -0.88 -0.23 0.00 0.00 0.00 0.00 54.91 53.33 3i55 h ALA 51 Cb 2.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 3i55 h ALA 51 CO 0.03 1.14 -1.24 1.49 0.00 0.00 0.00 179.25 180.67 3i55 h GLU 52 N 0.02 0.00 0.00 0.00 4.81 -1.68 -3.09 114.58 114.64 3i55 h GLU 52 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3i55 h GLU 52 Cb 1.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 3i55 h GLU 52 CO 0.15 0.79 -0.35 0.82 -0.73 0.00 0.00 179.01 179.68 3i55 h ILE 53 N 0.00 0.94 -0.58 2.32 2.04 -1.63 -0.74 117.51 119.87 3i55 h ILE 53 Ca -0.11 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3i55 h ILE 53 Cb 1.84 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 3i55 h ILE 53 CO 0.11 0.35 0.00 -0.62 0.00 0.00 0.00 178.15 177.98 3i55 n GLU 54 N -3.67 3.64 -0.01 2.37 1.02 -1.15 -2.95 120.64 119.89 3i55 n GLU 54 Ca -0.01 -2.63 0.07 0.00 -0.02 0.00 0.00 57.16 54.57 3i55 n GLU 54 Cb 0.46 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 3i55 n GLU 54 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i55 n SER 55 N 0.95 1.62 -0.62 1.62 2.88 -0.32 -3.83 113.62 115.92 3i55 n SER 55 Ca 0.24 -0.14 0.06 0.00 -1.33 0.00 0.00 58.87 57.69 3i55 n SER 55 Cb 0.86 1.52 0.13 0.00 -0.75 0.00 0.00 64.21 65.97 3i55 n SER 55 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i55 n GLU 56 N -1.86 0.98 0.00 -1.46 2.13 -1.00 -4.60 120.64 114.83 3i55 n GLU 56 Ca -0.02 -2.54 0.00 0.00 0.66 0.00 0.00 57.16 55.26 3i55 n GLU 56 Cb 0.33 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.92 3i55 n GLU 56 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3i55 n MET 57 N -0.74 3.41 -1.49 5.31 1.56 -1.15 -4.73 117.12 119.27 3i55 n MET 57 Ca 0.13 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.41 3i55 n MET 57 Cb 0.77 -0.46 0.09 0.00 2.15 0.00 0.00 33.22 35.77 3i55 n MET 57 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3i55 n ASN 58 N -0.39 4.08 0.00 6.12 3.02 -1.25 -4.46 115.26 122.38 3i55 n ASN 58 Ca 0.00 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.75 3i55 n ASN 58 Cb 0.00 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3i55 n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i55 n GLU 59 N -0.87 3.50 -3.77 3.52 1.02 -1.26 -5.01 120.64 117.76 3i55 n GLU 59 Ca 0.38 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.15 3i55 n GLU 59 Cb 0.89 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 32.19 3i55 n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i55 s ASP 60 N -0.03 5.25 -0.16 1.62 1.01 -1.26 -4.62 116.67 118.48 3i55 s ASP 60 Ca 0.00 -1.35 -0.04 0.00 0.71 0.00 0.00 52.55 51.86 3i55 s ASP 60 Cb 0.00 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 3i55 s ASP 60 CO 0.00 -0.37 -0.01 -1.00 0.21 0.00 0.00 175.17 174.00 3i55 s HIS 61 N 1.33 3.09 0.18 4.23 3.76 0.18 -4.84 115.29 123.23 3i55 s HIS 61 Ca -0.00 -0.16 -0.33 0.00 -0.15 0.00 0.00 55.06 54.42 3i55 s HIS 61 Cb -0.21 -1.97 -0.13 0.00 1.11 0.00 0.00 32.58 31.38 3i55 s HIS 61 CO 0.01 0.06 1.59 0.00 -0.85 0.00 0.00 174.74 175.55 3i55 n ALA 62 N 3.40 1.64 -2.68 -1.40 0.00 -1.25 -3.13 120.51 117.09 3i55 n ALA 62 Ca -0.17 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 3i55 n ALA 62 Cb 0.52 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 3i55 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 n PRO 64 N 2.76 0.00 0.00 0.00 -0.02 -1.26 -2.13 135.00 134.35 3i55 n PRO 64 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3i55 n PRO 64 Cb 0.52 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 3i55 n PRO 64 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i55 n ASN 65 N 0.28 0.19 -1.64 2.55 4.13 -1.26 -5.13 115.26 114.39 3i55 n ASN 65 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i55 n ASN 65 Cb 0.00 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 3i55 n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i55 n GLY 67 N 3.99 1.10 3.90 0.00 0.00 -1.26 -4.59 105.19 108.33 3i55 n GLY 67 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 3i55 n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 68 N -1.43 3.15 -0.31 1.61 8.01 -1.26 -4.92 118.70 123.55 3i55 s GLU 68 Ca 0.28 0.27 0.10 0.00 0.01 0.00 0.00 54.97 55.62 3i55 s GLU 68 Cb 0.17 -2.21 0.59 0.00 -4.31 0.00 0.00 34.13 28.38 3i55 s GLU 68 CO 0.25 -0.65 1.61 -0.25 0.01 0.00 0.00 175.26 176.23 3i55 n ASP 69 N -2.64 3.43 -4.46 -0.19 8.00 -1.26 -1.21 116.55 118.22 3i55 n ASP 69 Ca 0.04 -3.50 -0.43 0.00 0.71 0.00 0.00 54.79 51.61 3i55 n ASP 69 Cb 0.56 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3i55 n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i55 n ARG 70 N -0.84 3.30 -4.70 -1.24 1.74 -1.20 0.50 116.66 114.23 3i55 n ARG 70 Ca 0.38 -3.57 -0.26 0.00 -0.77 0.00 0.00 57.85 53.62 3i55 n ARG 70 Cb 1.20 -3.22 -0.17 0.00 -1.02 0.00 0.00 32.46 29.25 3i55 n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i55 s VAL 71 N 2.58 1.34 0.06 1.55 1.01 -1.18 -1.62 120.40 124.13 3i55 s VAL 71 Ca 0.47 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3i55 s VAL 71 Cb 0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3i55 s VAL 71 CO 0.03 0.40 -0.21 -1.81 0.00 0.00 0.00 175.10 173.51 3i55 s ASP 72 N 0.63 2.48 0.09 3.32 1.01 -0.35 -4.27 116.67 119.57 3i55 s ASP 72 Ca -0.15 -0.57 -0.30 0.00 0.71 0.00 0.00 52.55 52.24 3i55 s ASP 72 Cb -0.16 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 3i55 s ASP 72 CO 0.04 0.13 1.02 -0.60 0.21 0.00 0.00 175.17 175.97 3i55 s ARG 73 N -1.38 4.61 -0.25 8.23 3.52 -1.26 -1.65 118.95 130.77 3i55 s ARG 73 Ca 0.07 1.53 -0.02 0.00 -0.13 0.00 0.00 55.73 57.18 3i55 s ARG 73 Cb -0.09 -3.38 -0.15 0.00 -1.56 0.00 0.00 34.95 29.77 3i55 s ARG 73 CO 0.02 0.06 -0.25 1.04 -0.81 0.00 0.00 175.30 175.37 3i55 n GLN 74 N 3.13 0.61 0.00 5.12 1.13 -0.06 -4.94 117.38 122.36 3i55 n GLN 74 Ca 0.04 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3i55 n GLN 74 Cb 0.49 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3i55 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i55 n GLY 75 N 2.05 3.97 3.55 1.08 0.00 -1.21 -5.00 105.19 109.64 3i55 n GLY 75 Ca -0.46 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3i55 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 76 N -1.31 3.94 0.00 2.61 2.01 -1.26 -3.46 115.64 118.17 3i55 s THR 76 Ca 0.00 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.54 3i55 s THR 76 Cb 0.00 -4.79 0.00 0.00 0.01 0.00 0.00 72.50 67.72 3i55 s THR 76 CO 0.00 -1.56 0.00 0.61 -0.69 0.00 0.00 174.62 172.98 3i55 n GLY 77 N 5.22 0.89 3.63 4.40 0.00 -1.21 -4.93 105.19 113.20 3i55 n GLY 77 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3i55 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i55 s ILE 78 N -2.89 4.70 0.01 -0.61 1.01 -1.22 -1.87 121.20 120.32 3i55 s ILE 78 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3i55 s ILE 78 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3i55 s ILE 78 CO 0.00 0.48 -0.11 0.26 0.00 0.00 0.00 174.94 175.56 3i55 s TRP 79 N 0.24 1.02 0.08 3.97 0.52 -0.38 -0.88 118.94 123.51 3i55 s TRP 79 Ca 0.03 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 55.93 3i55 s TRP 79 Cb -0.12 -0.64 -0.03 0.00 -1.15 0.00 0.00 33.47 31.52 3i55 s TRP 79 CO 0.01 -0.01 -0.08 -1.14 0.02 0.00 0.00 176.95 175.75 3i55 s GLN 80 N -0.56 0.72 -0.19 4.98 0.74 -0.66 0.98 119.66 125.67 3i55 s GLN 80 Ca 0.03 -1.07 -0.16 0.00 0.05 0.00 0.00 55.36 54.21 3i55 s GLN 80 Cb -0.05 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 33.71 3i55 s GLN 80 CO 0.00 0.03 0.38 0.00 -0.55 0.00 0.00 175.29 175.15 3i55 n SER 82 N 4.27 0.00 0.00 0.00 3.41 -0.64 -1.68 113.62 118.98 3i55 n SER 82 Ca -0.09 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3i55 n SER 82 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3i55 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i55 n TYR 83 N -0.99 0.00 0.81 7.33 9.36 -1.26 -4.70 117.16 127.71 3i55 n TYR 83 Ca 0.21 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.51 3i55 n TYR 83 Cb 0.09 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.06 3i55 n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i55 n ASP 85 N 0.68 -5.57 -4.55 0.00 8.00 -0.68 -4.92 116.55 109.51 3i55 n ASP 85 Ca 0.15 -0.30 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 3i55 n ASP 85 Cb 0.37 -4.36 -0.03 0.00 -0.02 0.00 0.00 41.12 37.09 3i55 n ASP 85 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3i55 s TYR 86 N -3.13 2.56 -0.29 1.24 5.04 -1.25 -4.70 117.35 116.82 3i55 s TYR 86 Ca 0.32 -0.81 -0.29 0.00 -2.44 0.00 0.00 57.07 53.84 3i55 s TYR 86 Cb -0.14 -4.66 0.01 0.00 0.35 0.00 0.00 41.96 37.53 3i55 s TYR 86 CO 0.39 -1.91 1.05 0.21 -1.34 0.00 0.00 175.55 173.95 3i55 s LYS 87 N 4.85 4.11 0.28 4.97 2.20 -1.26 -2.60 119.74 132.29 3i55 s LYS 87 Ca 0.44 1.13 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 3i55 s LYS 87 Cb -0.01 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3i55 s LYS 87 CO -0.08 -0.82 0.16 1.97 -0.36 0.00 0.00 175.35 176.22 3i55 n PHE 88 N 6.69 -0.21 -4.44 4.03 1.16 0.28 -4.97 117.46 119.99 3i55 n PHE 88 Ca 0.12 -2.04 -0.34 0.00 -1.87 0.00 0.00 57.45 53.32 3i55 n PHE 88 Cb 0.47 0.10 -0.12 0.00 -1.61 0.00 0.00 39.48 38.31 3i55 n PHE 88 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 3i55 s THR 89 N -2.85 3.83 0.35 1.97 -4.23 -1.26 -1.25 115.64 112.20 3i55 s THR 89 Ca 0.22 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3i55 s THR 89 Cb 0.01 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3i55 s THR 89 CO 0.16 0.50 0.55 -0.83 -0.54 0.00 0.00 174.62 174.46 3i55 s GLY 90 N 0.31 1.18 0.71 3.99 0.00 -0.78 -4.96 107.32 107.77 3i55 s GLY 90 Ca -0.04 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 3i55 s GLY 90 CO 0.03 -0.82 -0.24 0.61 0.00 0.00 0.00 173.10 172.68 3i55 n GLY 91 N -0.55 -3.42 0.17 0.20 0.00 0.18 -4.48 105.19 97.30 3i55 n GLY 91 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3i55 n GLY 91 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3i55 h SER 92 N -0.42 -0.03 0.00 1.61 0.87 -1.92 -3.29 113.55 110.38 3i55 h SER 92 Ca -0.43 0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.01 3i55 h SER 92 Cb 1.38 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.42 3i55 h SER 92 CO 0.35 0.02 -1.83 -1.22 -0.53 0.00 0.00 176.83 173.62 3i55 n TYR 93 N -5.12 0.00 -4.32 2.24 4.02 -1.26 -3.32 117.16 109.40 3i55 n TYR 93 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.58 3i55 n TYR 93 Cb 0.20 -0.58 -0.11 0.00 -0.02 0.00 0.00 39.34 38.83 3i55 n TYR 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3i55 s LYS 94 N -2.39 3.53 0.53 -0.72 1.02 -1.24 -4.46 119.74 116.00 3i55 s LYS 94 Ca -0.06 -0.45 0.21 0.00 0.02 0.00 0.00 55.97 55.68 3i55 s LYS 94 Cb 0.04 -2.93 1.34 0.00 -0.52 0.00 0.00 37.83 35.76 3i55 s LYS 94 CO 0.52 0.38 2.08 -1.00 -0.92 0.00 0.00 175.35 176.41 3i55 h PRO 95 N 6.24 0.00 -5.18 -1.68 0.13 -1.86 0.52 132.00 130.17 3i55 h PRO 95 Ca -0.38 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.34 3i55 h PRO 95 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 3i55 h PRO 95 CO 0.62 0.00 -0.78 -1.21 -0.23 0.00 0.00 178.00 176.40 3i55 s GLU 96 N -5.03 0.82 0.13 0.86 2.02 -1.26 -3.24 118.70 113.00 3i55 s GLU 96 Ca -0.05 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.26 3i55 s GLU 96 Cb 0.18 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 3i55 s GLU 96 CO 0.69 0.19 -0.25 0.95 0.02 0.00 0.00 175.26 176.86 3i55 s THR 97 N -0.99 2.12 0.57 3.63 -4.23 -1.26 -4.68 115.64 110.79 3i55 s THR 97 Ca -0.01 -1.72 0.31 0.00 -1.18 0.00 0.00 61.69 59.09 3i55 s THR 97 Cb -0.08 -1.89 0.45 0.00 1.34 0.00 0.00 72.50 72.31 3i55 s THR 97 CO 0.01 0.04 1.82 -0.65 -0.54 0.00 0.00 174.62 175.30 3i55 h PRO 98 N 3.90 0.00 0.15 3.99 0.11 -1.99 0.87 132.00 139.02 3i55 h PRO 98 Ca -0.50 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 3i55 h PRO 98 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3i55 h PRO 98 CO 0.40 0.00 -1.31 0.78 -0.21 0.00 0.00 178.00 177.66 3i55 h GLY 99 N 0.00 0.36 2.00 -0.55 0.00 -1.99 -2.90 103.07 99.98 3i55 h GLY 99 Ca 0.37 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 3i55 h GLY 99 CO -0.00 0.80 -0.31 -1.33 0.00 0.00 0.00 176.54 175.69 3i55 h GLY 100 N 1.38 0.00 1.83 4.60 0.00 0.28 -2.63 103.07 108.53 3i55 h GLY 100 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 3i55 h GLY 100 CO 0.21 0.00 -1.05 0.50 0.00 0.00 0.00 176.54 176.20 3i55 h LYS 101 N 0.00 0.13 0.00 4.80 1.57 -1.05 -3.07 116.57 118.96 3i55 h LYS 101 Ca -0.00 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3i55 h LYS 101 Cb 0.66 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3i55 h LYS 101 CO 0.04 1.06 -0.07 1.15 -0.57 0.00 0.00 179.45 181.06 3i55 h THR 102 N 0.05 0.22 -0.76 -0.16 2.02 -1.26 -2.48 112.91 110.53 3i55 h THR 102 Ca -0.06 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3i55 h THR 102 Cb 1.77 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 3i55 h THR 102 CO 0.15 0.07 0.37 0.58 0.37 0.00 0.00 175.52 177.06 3i55 h VAL 103 N 0.00 1.24 -0.06 3.16 2.07 -1.38 -3.17 116.25 118.12 3i55 h VAL 103 Ca -0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3i55 h VAL 103 Cb 0.47 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3i55 h VAL 103 CO 0.01 0.29 -0.12 0.03 0.02 0.00 0.00 177.57 177.80 3i55 h ARG 104 N 1.08 -0.10 0.00 1.57 3.08 -1.56 -3.35 114.38 115.09 3i55 h ARG 104 Ca 0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i55 h ARG 104 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3i55 h ARG 104 CO -0.03 -0.07 0.00 0.54 -1.07 0.00 0.00 179.97 179.34 3i55 n ARG 105 N -3.23 0.00 0.00 0.04 1.74 -1.20 -5.18 116.66 108.83 3i55 n ARG 105 Ca -0.01 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.22 3i55 n ARG 105 Cb 0.08 0.00 0.68 0.00 -1.02 0.00 0.00 32.46 32.20 3i55 n ARG 105 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98