#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s ILE 5 N 0.00 1.42 0.37 -3.67 -0.00 -1.26 -2.28 121.20 115.78 1s1i s ILE 5 Ca 0.00 -1.27 -0.26 0.00 -0.00 0.00 0.00 60.65 59.12 1s1i s ILE 5 Cb 0.00 -1.29 -0.09 0.00 -0.00 0.00 0.00 42.46 41.08 1s1i s ILE 5 CO 0.00 -0.02 1.19 -1.81 -0.00 0.00 0.00 174.94 174.31 1s1i s ASP 6 N -1.50 6.63 -0.54 4.36 1.01 -1.26 -4.87 116.67 120.50 1s1i s ASP 6 Ca 0.04 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.76 1s1i s ASP 6 Cb -0.09 -2.62 0.38 0.00 1.01 0.00 0.00 42.92 41.59 1s1i s ASP 6 CO 0.02 -0.60 1.10 -1.54 0.21 0.00 0.00 175.17 174.36 1s1i n SER 7 N 0.33 4.81 0.00 0.27 3.41 -1.26 -4.61 113.62 116.57 1s1i n SER 7 Ca 0.03 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 1s1i n SER 7 Cb 0.45 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1s1i n SER 7 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s1i n PHE 8 N -0.36 -2.08 -1.91 7.33 3.72 -1.26 -4.95 117.46 117.94 1s1i n PHE 8 Ca 0.36 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.46 1s1i n PHE 8 Cb 0.51 0.42 0.19 0.00 -0.94 0.00 0.00 39.48 39.66 1s1i n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1s1i s SER 9 N -0.58 3.02 0.28 4.37 0.15 -1.26 -4.66 113.70 115.02 1s1i s SER 9 Ca 0.00 0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1s1i s SER 9 Cb 0.00 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1s1i s SER 9 CO 0.00 -2.79 0.16 -0.83 1.20 0.00 0.00 173.24 170.97 1s1i s GLY 10 N -4.88 1.91 0.00 9.45 0.00 -1.26 -4.56 107.32 107.98 1s1i s GLY 10 Ca 0.74 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1s1i s GLY 10 CO 0.53 -1.53 0.00 0.00 0.00 0.00 0.00 173.10 172.10 1s1i n ALA 11 N -0.50 0.00 -2.45 3.20 0.00 -1.26 -4.25 120.51 115.24 1s1i n ALA 11 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1s1i n ALA 11 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1s1i n ALA 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1s1i s LYS 12 N 0.00 1.61 -0.09 0.00 -2.85 -1.26 -4.56 119.74 112.59 1s1i s LYS 12 Ca 0.00 -1.82 0.04 0.00 -1.00 0.00 0.00 55.97 53.19 1s1i s LYS 12 Cb 0.00 -1.27 -0.00 0.00 -2.06 0.00 0.00 37.83 34.50 1s1i s LYS 12 CO 0.00 0.06 -0.23 0.42 0.10 0.00 0.00 175.35 175.69 1s1i s ILE 13 N -2.93 1.99 0.74 3.79 1.01 -0.97 -4.68 121.20 120.16 1s1i s ILE 13 Ca 0.30 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1s1i s ILE 13 Cb 0.03 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 1s1i s ILE 13 CO 0.13 0.55 0.31 -1.22 0.00 0.00 0.00 174.94 174.70 1s1i n TYR 14 N 3.47 -1.54 -0.30 3.97 4.02 -1.26 -4.89 117.16 120.63 1s1i n TYR 14 Ca -0.19 0.32 -0.04 0.00 -0.01 0.00 0.00 57.90 57.97 1s1i n TYR 14 Cb 0.53 -1.83 0.07 0.00 -0.02 0.00 0.00 39.34 38.09 1s1i n TYR 14 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1s1i h PRO 15 N -0.46 1.09 0.00 -0.72 0.11 -1.98 -3.33 132.00 126.71 1s1i h PRO 15 Ca -0.45 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1s1i h PRO 15 Cb 1.35 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s1i h PRO 15 CO 0.40 0.77 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 1s1i n GLY 16 N -1.20 1.47 3.21 -0.55 0.00 -1.26 -5.02 105.19 101.84 1s1i n GLY 16 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1s1i n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i n ARG 17 N -0.33 0.85 0.00 1.61 1.74 -1.25 -5.08 116.66 114.19 1s1i n ARG 17 Ca 0.00 -3.28 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 1s1i n ARG 17 Cb 0.21 1.04 0.00 0.00 -1.02 0.00 0.00 32.46 32.69 1s1i n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1i n GLY 18 N -0.44 1.63 4.02 -0.13 0.00 -1.25 -4.49 105.19 104.52 1s1i n GLY 18 Ca -0.16 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 1s1i n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1i s THR 19 N -0.33 2.41 -0.06 2.61 2.01 -1.26 -4.91 115.64 116.11 1s1i s THR 19 Ca 0.00 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 1s1i s THR 19 Cb 0.00 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 70.03 1s1i s THR 19 CO 0.00 0.00 0.00 -1.48 -0.69 0.00 0.00 174.62 172.45 1s1i s LEU 20 N -4.67 0.66 0.43 4.42 2.34 -1.26 -2.89 118.68 117.71 1s1i s LEU 20 Ca 0.60 -0.06 0.07 0.00 0.06 0.00 0.00 54.13 54.80 1s1i s LEU 20 Cb -0.07 -0.39 -0.04 0.00 -0.56 0.00 0.00 46.19 45.13 1s1i s LEU 20 CO 0.38 -0.18 0.18 0.12 -1.06 0.00 0.00 176.35 175.79 1s1i s PHE 21 N 1.80 2.47 -0.00 3.48 2.19 -1.20 -5.04 117.98 121.68 1s1i s PHE 21 Ca 0.02 -0.64 0.08 0.00 0.33 0.00 0.00 56.93 56.72 1s1i s PHE 21 Cb -0.13 -1.93 -0.02 0.00 -1.31 0.00 0.00 43.02 39.64 1s1i s PHE 21 CO -0.04 0.14 -0.26 0.54 1.83 0.00 0.00 175.22 177.43 1s1i s VAL 22 N -2.64 2.03 0.45 3.12 0.11 -1.26 -4.55 120.40 117.66 1s1i s VAL 22 Ca 0.38 -1.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1s1i s VAL 22 Cb 0.03 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1s1i s VAL 22 CO 0.21 0.50 0.54 -0.13 -3.33 0.00 0.00 175.10 172.89 1s1i s ARG 23 N -0.78 2.65 0.00 1.54 0.52 -0.73 -4.99 118.95 117.15 1s1i s ARG 23 Ca 0.10 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1s1i s ARG 23 Cb -0.10 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1s1i s ARG 23 CO -0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1s1i n GLY 24 N -1.82 0.00 3.84 -3.53 0.00 -1.26 -3.95 105.19 98.47 1s1i n GLY 24 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1s1i n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1i s ASP 25 N -0.55 5.30 0.01 1.61 1.01 -1.26 -4.85 116.67 117.94 1s1i s ASP 25 Ca 0.00 1.40 -0.32 0.00 0.71 0.00 0.00 52.55 54.35 1s1i s ASP 25 Cb 0.00 -2.26 -0.10 0.00 1.01 0.00 0.00 42.92 41.57 1s1i s ASP 25 CO 0.00 -1.47 1.91 -0.24 0.21 0.00 0.00 175.17 175.58 1s1i n SER 26 N -3.12 3.88 0.00 0.27 2.88 -1.25 -4.85 113.62 111.43 1s1i n SER 26 Ca 0.07 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1s1i n SER 26 Cb 0.55 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1s1i n SER 26 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s1i n LYS 27 N 6.84 0.00 0.00 -1.46 2.85 -1.26 -4.96 118.16 120.16 1s1i n LYS 27 Ca 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1s1i n LYS 27 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1s1i n LYS 27 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1s1i n ILE 28 N -0.04 -0.61 0.00 0.58 2.08 -1.26 -1.78 119.36 118.33 1s1i n ILE 28 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1s1i n ILE 28 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 38.63 1s1i n ILE 28 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1s1i n PHE 29 N 0.46 0.00 -1.31 1.39 3.72 -1.26 -4.77 117.46 115.69 1s1i n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s1i n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1s1i n PHE 29 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1s1i n ARG 30 N 0.00 0.91 -3.78 -1.08 1.74 -1.26 -3.23 116.66 109.96 1s1i n ARG 30 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1s1i n ARG 30 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1s1i n ARG 30 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s1i s PHE 31 N 0.13 -0.01 -0.02 -1.55 0.08 -1.14 -4.61 117.98 110.86 1s1i s PHE 31 Ca 0.00 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 56.54 1s1i s PHE 31 Cb 0.00 0.06 -0.26 0.00 -0.57 0.00 0.00 43.02 42.24 1s1i s PHE 31 CO 0.00 -0.55 1.02 0.37 -0.10 0.00 0.00 175.22 175.96 1s1i h GLN 32 N 2.87 0.34 0.00 0.44 4.15 -1.90 -3.35 115.11 117.66 1s1i h GLN 32 Ca -0.33 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.66 1s1i h GLN 32 Cb 1.21 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1s1i h GLN 32 CO 0.51 1.13 0.00 0.09 -1.93 0.00 0.00 178.83 178.63 1s1i n ASN 33 N -4.22 0.00 -4.59 -0.69 5.03 -1.26 -3.90 115.26 105.63 1s1i n ASN 33 Ca -0.11 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 1s1i n ASN 33 Cb 0.70 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.44 1s1i n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1s1i s SER 34 N -3.44 6.30 0.00 6.41 0.15 -1.26 -3.72 113.70 118.14 1s1i s SER 34 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1s1i s SER 34 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1s1i s SER 34 CO 0.00 -1.54 0.00 0.29 1.20 0.00 0.00 173.24 173.19 1s1i n LYS 35 N 8.34 0.00 -1.81 5.44 4.76 -1.26 -4.97 118.16 128.67 1s1i n LYS 35 Ca 0.13 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 1s1i n LYS 35 Cb 0.49 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.65 1s1i n LYS 35 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1s1i s SER 36 N -4.00 5.57 0.00 4.39 0.01 -1.24 -2.53 113.70 115.90 1s1i s SER 36 Ca 0.00 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.74 1s1i s SER 36 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1s1i s SER 36 CO 0.00 -1.93 0.00 0.00 0.41 0.00 0.00 173.24 171.72 1s1i n ALA 37 N 11.40 0.00 0.20 1.44 0.00 -1.26 -4.38 120.51 127.92 1s1i n ALA 37 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.78 1s1i n ALA 37 Cb 0.47 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.52 1s1i n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1i h SER 38 N 0.00 0.09 -0.65 0.00 4.64 -1.82 0.71 113.55 116.52 1s1i h SER 38 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1s1i h SER 38 Cb 0.00 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1s1i h SER 38 CO 0.00 0.07 0.35 0.25 -0.87 0.00 0.00 176.83 176.63 1s1i h LEU 39 N 0.11 0.82 -0.51 5.97 6.46 -1.82 0.11 115.31 126.45 1s1i h LEU 39 Ca 0.03 -0.10 -0.15 0.00 -0.12 0.00 0.00 57.88 57.55 1s1i h LEU 39 Cb 0.00 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1s1i h LEU 39 CO -0.01 0.68 -0.39 0.15 -0.62 0.00 0.00 178.44 178.26 1s1i h PHE 40 N 0.89 0.95 -0.30 1.25 3.57 -0.71 -3.10 116.94 119.48 1s1i h PHE 40 Ca 0.23 -0.28 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1s1i h PHE 40 Cb 0.05 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1s1i h PHE 40 CO -0.01 1.05 0.10 -0.22 -2.23 0.00 0.00 178.31 177.00 1s1i h LYS 41 N 0.65 0.22 -6.81 1.11 3.11 0.14 -3.34 116.57 111.65 1s1i h LYS 41 Ca 0.05 -0.01 -0.52 0.00 -2.81 0.00 0.00 60.65 57.36 1s1i h LYS 41 Cb 0.95 -0.05 0.04 0.00 -1.00 0.00 0.00 32.23 32.17 1s1i h LYS 41 CO 0.09 0.14 0.59 1.14 -2.81 0.00 0.00 179.45 178.60 1s1i s GLN 42 N -6.17 4.45 -0.22 1.90 -2.07 0.26 -4.83 119.66 112.98 1s1i s GLN 42 Ca -0.13 2.05 -0.29 0.00 -1.82 0.00 0.00 55.36 55.17 1s1i s GLN 42 Cb 0.11 -3.13 -0.03 0.00 -1.09 0.00 0.00 33.01 28.86 1s1i s GLN 42 CO 0.70 -0.08 1.78 1.03 -1.32 0.00 0.00 175.29 177.41 1s1i s ARG 43 N -1.32 3.63 -0.06 9.60 0.52 -1.25 -4.78 118.95 125.27 1s1i s ARG 43 Ca 0.49 1.75 -0.17 0.00 -0.52 0.00 0.00 55.73 57.29 1s1i s ARG 43 Cb -0.37 -4.13 0.03 0.00 0.52 0.00 0.00 34.95 31.00 1s1i s ARG 43 CO 0.46 -1.51 0.39 0.21 0.02 0.00 0.00 175.30 174.87 1s1i s LYS 44 N 5.13 0.66 -0.15 3.54 2.47 -1.25 -5.06 119.74 125.07 1s1i s LYS 44 Ca 0.79 0.11 -0.03 0.00 -1.56 0.00 0.00 55.97 55.28 1s1i s LYS 44 Cb -0.27 0.30 -0.02 0.00 -1.46 0.00 0.00 37.83 36.38 1s1i s LYS 44 CO 0.32 -0.16 -0.06 -0.80 0.16 0.00 0.00 175.35 174.81 1s1i s ASN 45 N -0.82 4.62 0.47 1.43 0.01 -1.26 -4.73 114.94 114.66 1s1i s ASN 45 Ca -0.09 -0.17 0.18 0.00 -0.71 0.00 0.00 52.86 52.08 1s1i s ASN 45 Cb -0.04 -1.72 1.16 0.00 0.41 0.00 0.00 41.25 41.06 1s1i s ASN 45 CO 0.04 0.18 2.03 -0.65 -1.51 0.00 0.00 177.10 177.19 1s1i h PRO 46 N 6.62 0.00 -3.82 -0.60 0.11 -1.92 -3.05 132.00 129.34 1s1i h PRO 46 Ca -0.31 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.07 1s1i h PRO 46 Cb 1.19 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 1s1i h PRO 46 CO 0.61 0.15 2.47 -2.13 -0.21 0.00 0.00 178.00 178.89 1s1i n ARG 47 N -4.15 3.29 0.00 1.05 0.63 -1.26 -2.93 116.66 113.28 1s1i n ARG 47 Ca -0.02 -3.15 0.00 0.00 -0.92 0.00 0.00 57.85 53.76 1s1i n ARG 47 Cb 0.23 -3.10 0.00 0.00 0.45 0.00 0.00 32.46 30.04 1s1i n ARG 47 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1s1i n ARG 48 N 4.97 0.00 -4.48 -0.14 0.63 -1.16 -4.97 116.66 111.51 1s1i n ARG 48 Ca 0.45 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.05 1s1i n ARG 48 Cb 0.38 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.13 1s1i n ARG 48 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1s1i s ILE 49 N -0.19 2.59 0.00 5.15 -0.00 -1.15 -5.05 121.20 122.54 1s1i s ILE 49 Ca 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 60.65 59.86 1s1i s ILE 49 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 42.46 40.37 1s1i s ILE 49 CO 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 174.94 175.46 1s1i n ALA 50 N 4.14 0.00 -1.78 2.27 0.00 -1.26 -4.10 120.51 119.78 1s1i n ALA 50 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1s1i n ALA 50 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1s1i n ALA 50 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1s1i s TRP 51 N 0.00 1.47 0.00 0.00 -0.11 -1.26 -4.73 118.94 114.30 1s1i s TRP 51 Ca 0.00 0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.61 1s1i s TRP 51 Cb 0.00 -4.04 -0.00 0.00 -1.50 0.00 0.00 33.47 27.93 1s1i s TRP 51 CO 0.00 -4.11 -0.01 0.99 -4.62 0.00 0.00 176.95 169.20 1s1i s THR 52 N 6.48 0.10 0.25 5.86 2.01 -1.26 -4.95 115.64 124.14 1s1i s THR 52 Ca 0.89 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 1s1i s THR 52 Cb -0.33 -0.10 0.14 0.00 0.01 0.00 0.00 72.50 72.22 1s1i s THR 52 CO 0.35 0.00 1.79 0.58 -0.69 0.00 0.00 174.62 176.65 1s1i h VAL 53 N 5.09 1.24 -0.38 3.82 2.07 -1.90 0.34 116.25 126.54 1s1i h VAL 53 Ca -0.25 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1s1i h VAL 53 Cb 1.21 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1s1i h VAL 53 CO 0.50 0.33 0.07 0.25 0.02 0.00 0.00 177.57 178.75 1s1i h LEU 54 N 0.89 0.52-10.16 2.57 6.46 -1.87 -3.42 115.31 110.30 1s1i h LEU 54 Ca 0.19 -0.08 -0.52 0.00 -0.12 0.00 0.00 57.88 57.35 1s1i h LEU 54 Cb 0.33 -0.13 0.13 0.00 -0.73 0.00 0.00 40.66 40.25 1s1i h LEU 54 CO 0.00 0.54 0.41 0.12 -0.62 0.00 0.00 178.44 178.89 1s1i s PHE 55 N -5.11 2.33 0.00 1.25 5.36 0.12 -4.82 117.98 117.11 1s1i s PHE 55 Ca -0.08 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1s1i s PHE 55 Cb 0.16 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1s1i s PHE 55 CO 0.76 -2.20 0.00 2.89 -1.46 0.00 0.00 175.22 175.21