#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s PRO 5 N 0.00 3.96 0.51 1.97 0.02 -1.26 -4.93 135.00 135.26 3i55 s PRO 5 Ca 0.00 1.72 0.33 0.00 0.02 0.00 0.00 61.00 63.07 3i55 s PRO 5 Cb 0.00 -2.52 1.41 0.00 0.02 0.00 0.00 34.50 33.40 3i55 s PRO 5 CO 0.00 -0.37 1.97 0.00 -0.33 0.00 0.00 177.00 178.27 3i55 h ALA 6 N 2.34 1.00 -0.63 -1.55 0.00 -2.02 -2.56 119.26 115.84 3i55 h ALA 6 Ca -0.49 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.57 3i55 h ALA 6 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3i55 h ALA 6 CO 0.61 0.00 0.43 0.66 0.00 0.00 0.00 179.25 180.96 3i55 h SER 7 N 0.00 0.20 0.49 0.00 4.64 -2.00 -0.45 113.55 116.44 3i55 h SER 7 Ca 0.00 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3i55 h SER 7 Cb 0.42 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3i55 h SER 7 CO 0.00 0.11 -0.30 0.24 -0.87 0.00 0.00 176.83 176.01 3i55 h MET 8 N 0.22 0.00 -0.04 4.77 2.86 -1.85 -3.36 114.93 117.53 3i55 h MET 8 Ca 0.30 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.76 3i55 h MET 8 Cb 0.89 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.16 3i55 h MET 8 CO -0.06 0.30 -1.04 0.66 1.06 0.00 0.00 176.91 177.83 3i55 n TYR 9 N -3.83 0.11 -0.03 -0.22 4.02 -0.42 -4.91 117.16 111.88 3i55 n TYR 9 Ca -0.01 -0.65 -0.08 0.00 -0.01 0.00 0.00 57.90 57.15 3i55 n TYR 9 Cb 0.39 -0.15 -0.14 0.00 -0.02 0.00 0.00 39.34 39.42 3i55 n TYR 9 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3i55 n ARG 10 N 0.40 0.64 -2.52 -0.72 1.85 -0.31 -4.48 116.66 111.51 3i55 n ARG 10 Ca 0.06 0.28 -0.24 0.00 -1.00 0.00 0.00 57.85 56.94 3i55 n ARG 10 Cb 1.11 -1.77 0.04 0.00 -1.05 0.00 0.00 32.46 30.79 3i55 n ARG 10 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i55 s ASP 11 N -6.04 5.39 -0.34 2.89 1.01 -1.26 -1.07 116.67 117.24 3i55 s ASP 11 Ca -0.05 0.41 -0.09 0.00 0.71 0.00 0.00 52.55 53.53 3i55 s ASP 11 Cb 0.08 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.68 3i55 s ASP 11 CO 0.83 -1.14 0.15 -0.63 0.21 0.00 0.00 175.17 174.59 3i55 s ILE 12 N -2.92 4.31 0.00 0.77 1.01 -1.26 -4.69 121.20 118.42 3i55 s ILE 12 Ca 0.55 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3i55 s ILE 12 Cb -0.10 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3i55 s ILE 12 CO 0.42 -0.11 0.00 -0.90 0.00 0.00 0.00 174.94 174.35 3i55 n ASP 13 N 4.93 0.00 -4.98 3.58 5.68 -1.26 -5.10 116.55 119.40 3i55 n ASP 13 Ca -0.13 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 53.96 3i55 n ASP 13 Cb 0.47 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.46 3i55 n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3i55 s LYS 14 N 0.00 2.95 0.74 0.11 -0.14 -1.26 -5.07 119.74 117.07 3i55 s LYS 14 Ca 0.00 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 53.64 3i55 s LYS 14 Cb 0.00 -2.68 0.04 0.00 -1.68 0.00 0.00 37.83 33.51 3i55 s LYS 14 CO 0.00 -0.22 1.08 -2.14 -0.76 0.00 0.00 175.35 173.31 3i55 s PRO 15 N -4.41 2.51 0.17 -1.68 0.02 -1.26 -4.89 135.00 125.45 3i55 s PRO 15 Ca 0.50 1.06 -0.32 0.00 0.02 0.00 0.00 61.00 62.26 3i55 s PRO 15 Cb -0.10 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 3i55 s PRO 15 CO 0.35 -1.44 1.75 0.00 -0.33 0.00 0.00 177.00 177.33 3i55 n ALA 16 N -3.37 2.38 -3.76 -1.55 0.00 -1.26 -4.92 120.51 108.04 3i55 n ALA 16 Ca 0.08 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 3i55 n ALA 16 Cb 0.53 -2.53 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 3i55 n ALA 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i55 s TYR 17 N 1.74 2.14 0.00 0.00 5.04 -1.26 -4.91 117.35 120.11 3i55 s TYR 17 Ca 0.78 -2.38 0.00 0.00 -2.44 0.00 0.00 57.07 53.03 3i55 s TYR 17 Cb -0.52 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 39.79 3i55 s TYR 17 CO 0.35 -0.81 0.03 0.25 -1.34 0.00 0.00 175.55 174.03 3i55 n THR 18 N 3.84 0.00 -2.06 4.34 -2.24 -1.26 -0.61 114.28 116.29 3i55 n THR 18 Ca 0.06 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.56 3i55 n THR 18 Cb 0.36 1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 70.07 3i55 n THR 18 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i55 s ARG 19 N 0.00 2.49 0.61 -0.78 1.81 -1.26 -4.75 118.95 117.08 3i55 s ARG 19 Ca 0.00 -0.99 0.24 0.00 -1.72 0.00 0.00 55.73 53.25 3i55 s ARG 19 Cb 0.00 -5.21 1.29 0.00 -0.45 0.00 0.00 34.95 30.58 3i55 s ARG 19 CO 0.00 -3.88 1.71 0.00 -0.68 0.00 0.00 175.30 172.45 3i55 h ARG 20 N 10.04 0.00 0.00 3.54 2.47 -1.95 0.67 114.38 129.14 3i55 h ARG 20 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3i55 h ARG 20 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3i55 h ARG 20 CO 1.22 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 180.90 3i55 n GLU 21 N -2.71 0.12 0.00 0.04 0.00 -1.26 -3.15 120.64 113.68 3i55 n GLU 21 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3i55 n GLU 21 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3i55 n GLU 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i55 n TYR 22 N -1.41 0.00 -4.03 -1.84 4.02 0.23 -5.06 117.16 109.08 3i55 n TYR 22 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.62 3i55 n TYR 22 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3i55 n TYR 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3i55 s ILE 23 N -1.04 5.01 0.05 -0.72 1.01 -0.82 -5.10 121.20 119.59 3i55 s ILE 23 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3i55 s ILE 23 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3i55 s ILE 23 CO 0.00 0.39 -0.03 0.42 0.00 0.00 0.00 174.94 175.72 3i55 s THR 24 N -1.19 0.24 -0.53 2.92 -4.23 -1.26 -4.72 115.64 106.86 3i55 s THR 24 Ca 0.23 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3i55 s THR 24 Cb -0.12 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.43 3i55 s THR 24 CO 0.13 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 3i55 n GLY 25 N 0.39 0.62 3.62 3.99 0.00 -1.26 -4.70 105.19 107.85 3i55 n GLY 25 Ca -0.16 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3i55 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i55 s ILE 26 N -2.21 3.78 0.52 -0.61 1.01 -1.26 -4.77 121.20 117.65 3i55 s ILE 26 Ca 0.00 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 3i55 s ILE 26 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3i55 s ILE 26 CO 0.00 -0.38 1.08 -2.65 0.00 0.00 0.00 174.94 172.99 3i55 n PRO 27 N 7.70 1.29 -2.54 2.79 -0.02 -1.26 -4.97 135.00 137.99 3i55 n PRO 27 Ca 0.18 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3i55 n PRO 27 Cb 0.46 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3i55 n PRO 27 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i55 s GLY 28 N -0.96 2.47 0.46 -1.23 0.00 -1.26 -4.81 107.32 101.99 3i55 s GLY 28 Ca 0.70 0.58 -0.25 0.00 0.00 0.00 0.00 44.72 45.74 3i55 s GLY 28 CO 0.52 0.89 1.44 -1.26 0.00 0.00 0.00 173.10 174.69 3i55 n SER 29 N -1.00 3.34 -0.33 1.64 2.88 -1.26 -4.90 113.62 113.98 3i55 n SER 29 Ca 0.09 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 3i55 n SER 29 Cb 0.53 -1.61 0.43 0.00 -0.75 0.00 0.00 64.21 62.81 3i55 n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i55 n LYS 30 N -0.25 1.14 -2.50 -1.46 5.02 -1.26 -4.87 118.16 113.98 3i55 n LYS 30 Ca 0.05 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.26 3i55 n LYS 30 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 3i55 n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i55 s ILE 31 N -2.32 4.15 -0.07 -0.18 1.01 -1.26 -4.85 121.20 117.68 3i55 s ILE 31 Ca 0.29 1.62 0.15 0.00 0.00 0.00 0.00 60.65 62.72 3i55 s ILE 31 Cb 0.20 -4.04 -0.23 0.00 0.01 0.00 0.00 42.46 38.40 3i55 s ILE 31 CO 0.45 0.17 0.25 0.00 0.00 0.00 0.00 174.94 175.81 3i55 n ALA 32 N 3.48 2.25 -3.68 9.38 0.00 -1.26 -4.99 120.51 125.69 3i55 n ALA 32 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 3i55 n ALA 32 Cb 0.47 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3i55 n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3i55 s GLN 33 N -2.86 0.47 -0.16 0.00 -0.21 -1.26 -5.01 119.66 110.63 3i55 s GLN 33 Ca -0.07 0.92 0.14 0.00 0.02 0.00 0.00 55.36 56.37 3i55 s GLN 33 Cb 0.08 0.04 -0.24 0.00 1.00 0.00 0.00 33.01 33.90 3i55 s GLN 33 CO 0.66 -0.16 0.20 0.72 -2.12 0.00 0.00 175.29 174.59 3i55 n HIS 34 N 4.34 0.31 -3.65 0.91 8.25 -1.26 -4.86 115.22 119.26 3i55 n HIS 34 Ca -0.22 0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 56.98 3i55 n HIS 34 Cb 0.56 -1.06 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 3i55 n HIS 34 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i55 s LYS 35 N -2.52 3.90 0.18 -0.41 -0.14 -1.26 -1.75 119.74 117.74 3i55 s LYS 35 Ca -0.12 0.09 -0.03 0.00 -1.36 0.00 0.00 55.97 54.55 3i55 s LYS 35 Cb 0.07 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 3i55 s LYS 35 CO 0.80 0.54 0.15 -1.64 -0.76 0.00 0.00 175.35 174.44 3i55 s MET 36 N -0.44 1.15 3.93 1.68 -1.94 -0.65 -5.00 119.30 118.03 3i55 s MET 36 Ca 0.17 -1.51 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 3i55 s MET 36 Cb -0.14 0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.99 3i55 s MET 36 CO 0.06 -0.38 0.00 0.41 -0.01 0.00 0.00 175.02 175.10 3i55 n GLY 37 N -0.22 0.57 3.50 -0.03 0.00 -1.26 -2.77 105.19 104.98 3i55 n GLY 37 Ca -0.01 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3i55 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i55 s ARG 38 N 0.00 3.83 0.00 1.61 0.52 0.12 -4.83 118.95 120.19 3i55 s ARG 38 Ca 0.00 -1.92 0.07 0.00 -0.52 0.00 0.00 55.73 53.36 3i55 s ARG 38 Cb 0.00 -5.19 0.40 0.00 0.52 0.00 0.00 34.95 30.69 3i55 s ARG 38 CO 0.00 -1.97 0.93 0.36 0.02 0.00 0.00 175.30 174.64 3i55 n LYS 39 N 7.17 0.60 -0.08 3.54 2.85 -1.26 -2.83 118.16 128.15 3i55 n LYS 39 Ca 0.35 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.48 3i55 n LYS 39 Cb 0.47 -1.17 -0.14 0.00 -0.65 0.00 0.00 35.03 33.53 3i55 n LYS 39 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3i55 n GLN 40 N -0.67 0.68 0.00 -1.58 6.02 -1.26 -4.95 117.38 115.61 3i55 n GLN 40 Ca 0.05 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3i55 n GLN 40 Cb 0.02 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.68 3i55 n GLN 40 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3i55 n LYS 41 N -3.02 1.11 -4.23 -1.09 4.81 -1.13 -5.07 118.16 109.54 3i55 n LYS 41 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 56.99 3i55 n LYS 41 Cb 1.08 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 36.03 3i55 n LYS 41 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i55 s ASP 42 N -1.77 1.15 0.30 3.14 1.11 -1.26 -5.04 116.67 114.30 3i55 s ASP 42 Ca 0.00 -1.17 0.14 0.00 0.18 0.00 0.00 52.55 51.70 3i55 s ASP 42 Cb 0.00 0.13 0.39 0.00 1.07 0.00 0.00 42.92 44.51 3i55 s ASP 42 CO 0.00 -0.58 1.60 0.00 1.18 0.00 0.00 175.17 177.37 3i55 h ALA 43 N 2.71 0.86 0.00 5.23 0.00 -1.97 -2.85 119.26 123.24 3i55 h ALA 43 Ca -0.37 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3i55 h ALA 43 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i55 h ALA 43 CO 0.62 0.68 -0.05 -0.25 0.00 0.00 0.00 179.25 180.26 3i55 n ASP 44 N -3.55 0.29 0.00 0.00 8.00 -1.26 -3.24 116.55 116.80 3i55 n ASP 44 Ca -0.00 0.47 0.12 0.00 0.71 0.00 0.00 54.79 56.09 3i55 n ASP 44 Cb 0.63 -0.52 0.68 0.00 -0.02 0.00 0.00 41.12 41.89 3i55 n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i55 n ASP 45 N -1.74 0.00 -4.37 -2.24 9.92 -1.08 -4.79 116.55 112.25 3i55 n ASP 45 Ca 0.06 -0.44 -0.30 0.00 -0.53 0.00 0.00 54.79 53.58 3i55 n ASP 45 Cb 0.37 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.57 3i55 n ASP 45 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3i55 s TYR 46 N -2.27 2.37 -0.03 1.24 1.51 -1.20 -5.01 117.35 113.96 3i55 s TYR 46 Ca 0.31 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.74 3i55 s TYR 46 Cb 0.17 -1.39 -0.20 0.00 -0.11 0.00 0.00 41.96 40.42 3i55 s TYR 46 CO 0.33 0.17 1.20 -1.35 -1.11 0.00 0.00 175.55 174.80 3i55 h PRO 47 N 4.65 0.09 -5.97 -1.71 0.11 -1.87 -3.45 132.00 123.84 3i55 h PRO 47 Ca -0.47 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 64.98 3i55 h PRO 47 Cb 1.15 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3i55 h PRO 47 CO 0.44 0.64 -0.19 0.08 -0.21 0.00 0.00 178.00 178.77 3i55 s VAL 48 N -3.92 5.04 -0.35 3.15 1.01 -0.97 -4.40 120.40 119.95 3i55 s VAL 48 Ca -0.16 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3i55 s VAL 48 Cb 0.02 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.80 3i55 s VAL 48 CO 0.70 0.54 0.24 -1.58 0.00 0.00 0.00 175.10 175.00 3i55 s GLN 49 N -0.81 0.55 -0.22 2.72 0.74 -1.16 -2.06 119.66 119.42 3i55 s GLN 49 Ca 0.24 -1.21 -0.08 0.00 0.05 0.00 0.00 55.36 54.36 3i55 s GLN 49 Cb -0.17 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.72 3i55 s GLN 49 CO 0.13 -1.20 0.09 0.42 -0.55 0.00 0.00 175.29 174.18 3i55 s ILE 50 N 1.17 4.76 0.37 -2.34 1.01 -0.98 0.66 121.20 125.85 3i55 s ILE 50 Ca 0.18 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.87 3i55 s ILE 50 Cb -0.21 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3i55 s ILE 50 CO -0.01 0.39 0.20 -0.44 0.00 0.00 0.00 174.94 175.08 3i55 s SER 51 N 0.99 4.76 -0.19 3.58 0.01 -0.57 0.14 113.70 122.42 3i55 s SER 51 Ca 0.05 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 3i55 s SER 51 Cb -0.14 -0.68 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 3i55 s SER 51 CO 0.03 -0.41 -0.09 -0.22 0.41 0.00 0.00 173.24 172.97 3i55 s LEU 52 N -3.92 2.76 -0.14 2.44 2.96 0.30 -2.23 118.68 120.84 3i55 s LEU 52 Ca 0.40 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3i55 s LEU 52 Cb -0.02 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3i55 s LEU 52 CO 0.24 0.04 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.64 3i55 s ILE 53 N 1.10 3.90 -0.07 6.68 1.01 0.32 -0.06 121.20 134.08 3i55 s ILE 53 Ca 0.01 -0.37 -0.27 0.00 0.00 0.00 0.00 60.65 60.02 3i55 s ILE 53 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3i55 s ILE 53 CO -0.02 0.51 0.87 -0.69 0.00 0.00 0.00 174.94 175.61 3i55 s VAL 54 N 0.14 4.92 -0.56 2.92 1.01 -0.52 -0.80 120.40 127.51 3i55 s VAL 54 Ca -0.01 1.78 0.24 0.00 0.00 0.00 0.00 61.98 63.99 3i55 s VAL 54 Cb -0.14 -4.20 0.17 0.00 0.00 0.00 0.00 36.38 32.22 3i55 s VAL 54 CO 0.03 0.14 1.47 -0.33 0.00 0.00 0.00 175.10 176.41 3i55 h GLU 55 N 6.93 0.00 -5.03 2.72 5.08 -1.48 1.54 114.58 124.34 3i55 h GLU 55 Ca -0.37 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.56 3i55 h GLU 55 Cb 1.18 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.16 3i55 h GLU 55 CO 0.78 0.00 -0.79 -1.21 -1.00 0.00 0.00 179.01 176.79 3i55 s GLU 56 N -3.19 0.90 0.12 2.33 2.02 -1.26 -4.49 118.70 115.14 3i55 s GLU 56 Ca 0.07 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.26 3i55 s GLU 56 Cb 0.11 -0.88 -0.08 0.00 0.10 0.00 0.00 34.13 33.39 3i55 s GLU 56 CO 0.69 0.23 1.33 0.99 0.02 0.00 0.00 175.26 178.52 3i55 s THR 57 N -0.41 3.43 0.00 3.63 2.01 -1.26 -4.12 115.64 118.91 3i55 s THR 57 Ca 0.03 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3i55 s THR 57 Cb -0.05 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3i55 s THR 57 CO -0.00 0.10 0.00 1.33 -0.69 0.00 0.00 174.62 175.36 3i55 n VAL 58 N 3.65 0.00 -4.50 3.82 0.24 -0.61 -4.81 118.33 116.13 3i55 n VAL 58 Ca 0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.16 3i55 n VAL 58 Cb 0.43 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.64 3i55 n VAL 58 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3i55 s GLN 59 N -0.46 1.58 -0.29 7.34 -0.21 -0.23 -1.73 119.66 125.65 3i55 s GLN 59 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.03 3i55 s GLN 59 Cb 0.00 -1.34 0.06 0.00 1.00 0.00 0.00 33.01 32.73 3i55 s GLN 59 CO 0.00 -0.00 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.62 3i55 s LEU 60 N 0.75 3.87 0.47 2.90 1.43 -0.50 -4.54 118.68 123.06 3i55 s LEU 60 Ca -0.13 -1.48 -0.24 0.00 -1.03 0.00 0.00 54.13 51.24 3i55 s LEU 60 Cb -0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 3i55 s LEU 60 CO 0.03 -0.26 1.39 -0.13 0.23 0.00 0.00 176.35 177.61 3i55 s ARG 61 N 1.13 3.57 0.59 1.70 0.52 -1.26 -0.60 118.95 124.61 3i55 s ARG 61 Ca -0.04 2.33 0.29 0.00 -0.52 0.00 0.00 55.73 57.79 3i55 s ARG 61 Cb -0.20 -2.56 1.48 0.00 0.52 0.00 0.00 34.95 34.19 3i55 s ARG 61 CO -0.04 -0.88 1.90 1.12 0.02 0.00 0.00 175.30 177.42 3i55 h HIS 62 N 2.13 0.00 0.00 -0.53 2.07 -1.54 0.38 115.15 117.67 3i55 h HIS 62 Ca -0.51 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.97 3i55 h HIS 62 Cb 1.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 3i55 h HIS 62 CO 0.49 0.00 -0.21 0.78 -3.07 0.00 0.00 177.93 175.93 3i55 h GLY 63 N 0.00 0.00 0.65 6.13 0.00 -1.88 -1.59 103.07 106.38 3i55 h GLY 63 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.28 3i55 h GLY 63 CO -0.00 0.00 -1.25 1.76 0.00 0.00 0.00 176.54 177.05 3i55 h SER 64 N 0.00 0.44 0.33 0.19 0.02 -0.53 -2.01 113.55 111.99 3i55 h SER 64 Ca -0.00 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 60.05 3i55 h SER 64 Cb 0.60 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3i55 h SER 64 CO 0.03 1.56 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.90 3i55 h LEU 65 N -0.28 -0.85 -0.52 5.07 -0.00 -1.34 -0.12 115.31 117.26 3i55 h LEU 65 Ca -0.25 0.07 0.10 0.00 -0.00 0.00 0.00 57.88 57.79 3i55 h LEU 65 Cb 1.76 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 42.62 3i55 h LEU 65 CO 0.10 -0.42 0.05 -0.08 -0.00 0.00 0.00 178.44 178.10 3i55 h GLU 66 N -0.64 0.17 -0.88 1.13 4.57 -1.45 0.72 114.58 118.20 3i55 h GLU 66 Ca -0.04 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 3i55 h GLU 66 Cb 0.55 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.02 3i55 h GLU 66 CO -0.03 0.11 0.52 0.00 -1.18 0.00 0.00 179.01 178.44 3i55 h ALA 67 N 1.44 1.29 0.00 2.92 0.00 -1.15 0.27 119.26 124.03 3i55 h ALA 67 Ca 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i55 h ALA 67 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i55 h ALA 67 CO -0.39 0.14 -0.02 0.66 0.00 0.00 0.00 179.25 179.64 3i55 h SER 68 N 0.85 0.00 -0.95 0.00 4.64 0.20 -3.14 113.55 115.15 3i55 h SER 68 Ca 0.43 -0.09 0.29 0.00 -0.47 0.00 0.00 61.79 61.95 3i55 h SER 68 Cb 0.41 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.34 3i55 h SER 68 CO -0.26 0.55 0.26 -0.09 -0.87 0.00 0.00 176.83 176.43 3i55 h ARG 69 N -1.00 0.11 0.00 4.77 2.43 0.47 0.45 114.38 121.60 3i55 h ARG 69 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i55 h ARG 69 Cb 0.11 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i55 h ARG 69 CO -0.00 0.07 0.00 -0.11 -1.51 0.00 0.00 179.97 178.42 3i55 n LEU 70 N -5.30 0.00 0.31 3.80 7.94 0.95 -0.50 117.00 124.20 3i55 n LEU 70 Ca 0.26 0.11 0.04 0.00 -1.11 0.00 0.00 56.01 55.31 3i55 n LEU 70 Cb 0.86 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.96 3i55 n LEU 70 CO 0.01 0.00 1.03 0.77 -1.11 0.00 0.00 177.39 178.09 3i55 h SER 71 N 0.00 0.00 0.20 1.96 4.64 -1.39 0.13 113.55 119.09 3i55 h SER 71 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i55 h SER 71 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i55 h SER 71 CO 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 3i55 h ALA 72 N 0.25 -0.28 -0.41 5.18 0.00 0.18 -3.25 119.26 120.93 3i55 h ALA 72 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3i55 h ALA 72 Cb 1.80 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 3i55 h ALA 72 CO -0.00 -0.26 0.17 -0.97 0.00 0.00 0.00 179.25 178.19 3i55 h ASN 73 N -0.99 0.56 -1.33 0.00 -0.73 0.16 -2.52 115.58 110.73 3i55 h ASN 73 Ca -0.03 -0.16 0.38 0.00 1.87 0.00 0.00 56.30 58.37 3i55 h ASN 73 Cb 0.20 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 3i55 h ASN 73 CO 0.04 0.56 0.96 -0.09 -0.37 0.00 0.00 177.43 178.54 3i55 h ARG 74 N 0.51 0.00 0.28 6.67 2.43 -1.01 0.39 114.38 123.64 3i55 h ARG 74 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3i55 h ARG 74 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3i55 h ARG 74 CO -0.01 0.00 -0.13 1.25 -1.51 0.00 0.00 179.97 179.56 3i55 h HIS 75 N 0.00 -0.35 -0.92 2.20 2.76 -1.48 -2.24 115.15 115.12 3i55 h HIS 75 Ca 0.63 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.98 3i55 h HIS 75 Cb 2.55 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 31.55 3i55 h HIS 75 CO 0.00 0.01 0.60 -0.07 -1.30 0.00 0.00 177.93 177.17 3i55 h LEU 76 N -0.87 0.52 -0.64 0.26 3.38 -0.35 0.63 115.31 118.23 3i55 h LEU 76 Ca -0.04 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3i55 h LEU 76 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3i55 h LEU 76 CO 0.06 0.21 0.00 0.40 0.09 0.00 0.00 178.44 179.21 3i55 h ILE 77 N 0.52 1.27 0.60 1.22 2.04 -1.03 0.24 117.51 122.37 3i55 h ILE 77 Ca 0.49 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3i55 h ILE 77 Cb 1.05 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3i55 h ILE 77 CO -0.22 0.42 -0.29 0.50 0.00 0.00 0.00 178.15 178.56 3i55 h LYS 78 N 0.98 -0.78 0.00 2.37 3.64 0.72 0.36 116.57 123.85 3i55 h LYS 78 Ca 0.17 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3i55 h LYS 78 Cb 0.56 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3i55 h LYS 78 CO 0.03 -0.48 0.00 0.93 -2.27 0.00 0.00 179.45 177.66 3i55 h GLU 79 N -1.13 0.00 0.00 1.90 4.39 -0.62 -3.28 114.58 115.84 3i55 h GLU 79 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3i55 h GLU 79 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3i55 h GLU 79 CO 0.14 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.27 3i55 n LEU 80 N -2.52 1.14 0.00 1.33 4.77 0.85 -5.05 117.00 117.52 3i55 n LEU 80 Ca 0.03 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3i55 n LEU 80 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3i55 n LEU 80 CO 0.25 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3i55 n GLY 81 N -0.18 -2.53 0.00 -0.72 0.00 0.13 -2.18 105.19 99.71 3i55 n GLY 81 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i55 n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i55 n GLU 82 N -1.25 0.11 -1.59 1.61 1.02 -1.20 -1.25 120.64 118.08 3i55 n GLU 82 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3i55 n GLU 82 Cb 0.00 -1.05 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3i55 n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i55 n GLU 83 N -0.55 0.42 -0.37 3.49 1.02 -1.26 -5.05 120.64 118.34 3i55 n GLU 83 Ca 0.00 -1.42 -0.24 0.00 -0.02 0.00 0.00 57.16 55.48 3i55 n GLU 83 Cb 0.00 0.23 0.22 0.00 -0.02 0.00 0.00 31.44 31.87 3i55 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i55 n GLY 84 N -0.28 -3.54 3.22 0.62 0.00 -0.38 -4.92 105.19 99.91 3i55 n GLY 84 Ca -0.17 -1.34 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 3i55 n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i55 n ASP 85 N -4.97 5.75 -3.45 1.61 2.03 -1.26 -4.60 116.55 111.65 3i55 n ASP 85 Ca 0.11 -3.16 -0.10 0.00 0.52 0.00 0.00 54.79 52.16 3i55 n ASP 85 Cb 0.46 -1.33 -0.02 0.00 -0.72 0.00 0.00 41.12 39.51 3i55 n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3i55 s TYR 86 N -1.78 0.40 -0.30 -0.67 -0.85 -1.26 -4.18 117.35 108.71 3i55 s TYR 86 Ca 0.31 -0.83 -0.03 0.00 -0.52 0.00 0.00 57.07 56.00 3i55 s TYR 86 Cb -0.05 0.39 0.19 0.00 0.38 0.00 0.00 41.96 42.87 3i55 s TYR 86 CO -0.02 -1.25 0.71 -1.59 -1.52 0.00 0.00 175.55 171.89 3i55 s LYS 87 N -3.22 0.47 0.17 -3.49 -2.85 -0.69 0.12 119.74 110.24 3i55 s LYS 87 Ca 0.21 0.74 0.03 0.00 -1.00 0.00 0.00 55.97 55.95 3i55 s LYS 87 Cb -0.03 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3i55 s LYS 87 CO 0.12 -0.60 0.28 1.41 0.10 0.00 0.00 175.35 176.67 3i55 s MET 88 N 2.88 3.39 -0.04 1.78 1.75 -1.12 -1.25 119.30 126.69 3i55 s MET 88 Ca 0.15 -0.65 -0.08 0.00 -1.25 0.00 0.00 55.69 53.86 3i55 s MET 88 Cb -0.12 -2.92 0.01 0.00 2.84 0.00 0.00 34.83 34.64 3i55 s MET 88 CO -0.20 0.50 0.18 0.99 -0.65 0.00 0.00 175.02 175.84 3i55 s THR 89 N -1.79 0.04 -0.41 10.11 2.01 0.40 -1.64 115.64 124.36 3i55 s THR 89 Ca 0.34 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3i55 s THR 89 Cb -0.11 -0.37 0.11 0.00 0.01 0.00 0.00 72.50 72.14 3i55 s THR 89 CO 0.28 -0.18 0.19 -0.22 -0.69 0.00 0.00 174.62 174.01 3i55 s LEU 90 N -0.62 5.20 0.49 4.42 2.96 -0.72 -1.11 118.68 129.30 3i55 s LEU 90 Ca -0.07 -2.06 0.30 0.00 -0.22 0.00 0.00 54.13 52.08 3i55 s LEU 90 Cb -0.04 -1.81 1.08 0.00 0.50 0.00 0.00 46.19 45.92 3i55 s LEU 90 CO 0.01 -0.52 1.87 0.08 -1.32 0.00 0.00 176.35 176.47 3i55 h ARG 91 N 7.98 0.00 -6.74 1.98 0.11 -1.82 -3.46 114.38 112.43 3i55 h ARG 91 Ca -0.12 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.46 3i55 h ARG 91 Cb 1.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.13 3i55 h ARG 91 CO 0.68 0.00 0.02 0.15 0.10 0.00 0.00 179.97 180.92 3i55 s LYS 92 N -3.51 3.65 0.01 0.08 -0.14 -1.26 -5.10 119.74 113.46 3i55 s LYS 92 Ca 0.03 0.19 0.02 0.00 -1.36 0.00 0.00 55.97 54.85 3i55 s LYS 92 Cb 0.08 -2.48 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 3i55 s LYS 92 CO 0.56 0.00 -0.05 -0.06 -0.76 0.00 0.00 175.35 175.04 3i55 s PHE 93 N -2.39 0.47 -0.96 3.18 0.40 -1.26 -5.10 117.98 112.33 3i55 s PHE 93 Ca 0.47 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 56.34 3i55 s PHE 93 Cb -0.10 -0.29 0.01 0.00 0.51 0.00 0.00 43.02 43.14 3i55 s PHE 93 CO 0.35 -0.04 1.67 -1.25 0.70 0.00 0.00 175.22 176.65 3i55 s PRO 94 N -0.62 3.12 -0.22 0.24 0.04 -1.26 -4.48 135.00 131.82 3i55 s PRO 94 Ca -0.03 -0.72 -0.10 0.00 0.04 0.00 0.00 61.00 60.20 3i55 s PRO 94 Cb -0.05 -5.19 -0.18 0.00 0.04 0.00 0.00 34.50 29.12 3i55 s PRO 94 CO -0.00 -2.72 -0.04 0.72 0.04 0.00 0.00 177.00 175.00 3i55 n HIS 95 N 11.16 0.50 -1.67 0.56 8.25 -0.50 -4.56 115.22 128.96 3i55 n HIS 95 Ca 0.35 0.16 -0.44 0.00 -0.26 0.00 0.00 57.72 57.53 3i55 n HIS 95 Cb 0.49 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 3i55 n HIS 95 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3i55 n GLN 96 N -3.86 2.70 -3.09 -0.41 -0.06 -0.78 -4.59 117.38 107.29 3i55 n GLN 96 Ca -0.43 0.99 -0.39 0.00 -2.00 0.00 0.00 57.00 55.17 3i55 n GLN 96 Cb 0.90 -2.91 -0.06 0.00 -4.06 0.00 0.00 30.24 24.12 3i55 n GLN 96 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3i55 s VAL 97 N 4.08 4.69 -0.11 1.69 1.01 0.21 -0.17 120.40 131.81 3i55 s VAL 97 Ca 0.89 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.35 3i55 s VAL 97 Cb -0.50 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 3i55 s VAL 97 CO 0.44 0.45 -0.12 -0.76 0.00 0.00 0.00 175.10 175.10 3i55 s LEU 98 N -0.51 2.82 0.36 3.92 1.43 0.16 -4.82 118.68 122.03 3i55 s LEU 98 Ca 0.34 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 3i55 s LEU 98 Cb -0.20 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3i55 s LEU 98 CO 0.22 0.22 0.10 0.00 0.23 0.00 0.00 176.35 177.11 3i55 s ARG 99 N 0.05 2.21 -0.08 1.70 1.70 -1.26 -0.37 118.95 122.90 3i55 s ARG 99 Ca -0.04 -1.70 -0.04 0.00 -0.47 0.00 0.00 55.73 53.48 3i55 s ARG 99 Cb -0.14 -2.02 0.04 0.00 -0.57 0.00 0.00 34.95 32.26 3i55 s ARG 99 CO 0.04 0.07 0.18 -2.00 -1.08 0.00 0.00 175.30 172.51 3i55 s GLU 100 N -3.80 0.12 -1.06 3.89 2.12 -0.99 -4.86 118.70 114.12 3i55 s GLU 100 Ca 0.37 0.43 -0.18 0.00 0.36 0.00 0.00 54.97 55.95 3i55 s GLU 100 Cb 0.00 -0.17 0.12 0.00 0.26 0.00 0.00 34.13 34.34 3i55 s GLU 100 CO 0.21 -0.17 1.34 1.21 -0.54 0.00 0.00 175.26 177.30 3i55 s ASN 101 N 1.27 6.74 -0.69 -1.70 2.47 -1.26 -2.21 114.94 119.57 3i55 s ASN 101 Ca -0.09 -2.23 -0.07 0.00 0.42 0.00 0.00 52.86 50.90 3i55 s ASN 101 Cb -0.11 -2.45 0.18 0.00 -1.45 0.00 0.00 41.25 37.41 3i55 s ASN 101 CO -0.07 -1.08 0.54 -1.59 -3.72 0.00 0.00 177.10 171.19 3i55 s LYS 102 N 3.00 2.89 0.00 0.43 -2.85 -1.26 -5.03 119.74 116.92 3i55 s LYS 102 Ca 0.40 -2.49 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 3i55 s LYS 102 Cb -0.02 -3.96 0.00 0.00 -2.06 0.00 0.00 37.83 31.79 3i55 s LYS 102 CO -0.05 -1.21 0.00 -3.47 0.10 0.00 0.00 175.35 170.72 3i55 n ASP 114 N 3.68 0.00 0.00 0.03 4.64 -1.26 -4.99 116.55 118.65 3i55 n ASP 114 Ca 0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.50 3i55 n ASP 114 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.49 3i55 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i55 n GLY 115 N 0.00 0.46 0.06 0.27 0.00 -1.26 -4.77 105.19 99.95 3i55 n GLY 115 Ca 0.00 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.44 3i55 n GLY 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i55 n MET 116 N 0.00 0.37 -2.36 1.61 2.81 -1.26 -4.74 117.12 113.56 3i55 n MET 116 Ca 0.00 -0.13 -0.41 0.00 -1.81 0.00 0.00 57.70 55.35 3i55 n MET 116 Cb 0.00 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 3i55 n MET 116 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3i55 s ARG 117 N -2.72 4.51 -1.13 0.03 3.52 -1.26 -3.36 118.95 118.54 3i55 s ARG 117 Ca 0.21 1.91 -0.23 0.00 -0.13 0.00 0.00 55.73 57.50 3i55 s ARG 117 Cb 0.19 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 3i55 s ARG 117 CO 0.54 -0.02 0.77 0.00 -0.81 0.00 0.00 175.30 175.78 3i55 n ALA 118 N 1.89 -2.57 0.21 6.12 0.00 -1.26 -4.90 120.51 119.99 3i55 n ALA 118 Ca 0.02 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.27 3i55 n ALA 118 Cb 0.44 -3.78 0.22 0.00 0.00 0.00 0.00 19.45 16.33 3i55 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 h ALA 119 N 0.96 0.92 -1.47 0.00 0.00 -1.84 -3.46 119.26 114.37 3i55 h ALA 119 Ca -0.66 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 53.40 3i55 h ALA 119 Cb 1.36 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.18 3i55 h ALA 119 CO 0.48 0.18 0.42 0.34 0.00 0.00 0.00 179.25 180.67 3i55 n PHE 120 N -3.16 1.37 -1.12 0.00 7.35 -1.26 -4.54 117.46 116.11 3i55 n PHE 120 Ca 0.03 0.75 -0.10 0.00 -0.76 0.00 0.00 57.45 57.37 3i55 n PHE 120 Cb 0.54 -2.28 0.07 0.00 0.35 0.00 0.00 39.48 38.16 3i55 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i55 n GLY 121 N 2.53 -1.65 3.34 7.13 0.00 -1.26 -4.85 105.19 110.43 3i55 n GLY 121 Ca 0.20 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 3i55 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s LYS 122 N -3.92 2.93 -0.00 1.61 -2.85 -0.94 -4.77 119.74 111.79 3i55 s LYS 122 Ca 0.25 -0.78 -0.36 0.00 -1.00 0.00 0.00 55.97 54.08 3i55 s LYS 122 Cb -0.01 -2.40 -0.15 0.00 -2.06 0.00 0.00 37.83 33.21 3i55 s LYS 122 CO 0.18 0.34 1.60 -0.89 0.10 0.00 0.00 175.35 176.68 3i55 n ILE 123 N 3.11 0.18 0.00 3.79 -0.00 -1.26 -2.34 119.36 122.84 3i55 n ILE 123 Ca -0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 3i55 n ILE 123 Cb 0.52 -1.32 0.00 0.00 -0.00 0.00 0.00 39.64 38.85 3i55 n ILE 123 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 3i55 n VAL 124 N 3.73 0.00 -3.17 1.39 0.24 0.51 -4.81 118.33 116.21 3i55 n VAL 124 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3i55 n VAL 124 Cb 0.23 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3i55 n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i55 n GLY 125 N 2.00 2.42 2.99 7.63 0.00 -0.83 -4.70 105.19 114.69 3i55 n GLY 125 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 3i55 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i55 s THR 126 N -2.80 0.02 0.24 2.61 -4.23 -1.26 -0.67 115.64 109.55 3i55 s THR 126 Ca 0.00 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3i55 s THR 126 Cb 0.00 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 3i55 s THR 126 CO 0.00 -0.09 0.07 0.00 -0.54 0.00 0.00 174.62 174.06 3i55 s ALA 127 N -0.26 1.68 -0.18 3.99 0.00 0.76 -1.25 121.76 126.49 3i55 s ALA 127 Ca -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3i55 s ALA 127 Cb -0.02 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.00 3i55 s ALA 127 CO 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 175.76 175.18 3i55 s ALA 128 N -3.69 2.39 -0.33 0.00 0.00 0.23 -1.42 121.76 118.95 3i55 s ALA 128 Ca 0.34 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 3i55 s ALA 128 Cb 0.07 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3i55 s ALA 128 CO 0.11 -0.33 1.09 1.03 0.00 0.00 0.00 175.76 177.66 3i55 s ARG 129 N 1.27 4.04 -0.27 0.00 0.52 -1.26 -1.41 118.95 121.84 3i55 s ARG 129 Ca 0.04 1.04 0.02 0.00 -0.52 0.00 0.00 55.73 56.30 3i55 s ARG 129 Cb -0.13 -3.75 0.06 0.00 0.52 0.00 0.00 34.95 31.64 3i55 s ARG 129 CO -0.11 -0.94 -0.08 0.08 0.02 0.00 0.00 175.30 174.27 3i55 s VAL 130 N 3.73 2.41 0.51 3.52 1.01 -0.70 -5.01 120.40 125.87 3i55 s VAL 130 Ca 0.46 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3i55 s VAL 130 Cb -0.12 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 3i55 s VAL 130 CO 0.17 -0.03 1.23 -1.10 0.00 0.00 0.00 175.10 175.37 3i55 s GLN 131 N 1.15 3.41 0.35 2.72 -1.52 -1.26 -1.57 119.66 122.95 3i55 s GLN 131 Ca -0.07 1.93 -0.28 0.00 -1.95 0.00 0.00 55.36 54.98 3i55 s GLN 131 Cb -0.20 -2.26 -0.11 0.00 -0.22 0.00 0.00 33.01 30.22 3i55 s GLN 131 CO -0.04 -0.88 1.45 0.00 -0.25 0.00 0.00 175.29 175.56 3i55 s ALA 132 N -1.48 3.57 0.00 6.09 0.00 -1.26 -2.69 121.76 125.99 3i55 s ALA 132 Ca 0.69 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.13 3i55 s ALA 132 Cb -0.33 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3i55 s ALA 132 CO 0.38 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3i55 n GLY 133 N 0.76 0.52 3.95 0.00 0.00 0.53 -4.85 105.19 106.09 3i55 n GLY 133 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3i55 n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 134 N -0.86 2.58 -0.38 1.61 2.02 -1.09 -4.80 118.70 117.77 3i55 s GLU 134 Ca 0.00 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.34 3i55 s GLU 134 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.85 3i55 s GLU 134 CO 0.00 -0.79 0.37 -0.65 0.02 0.00 0.00 175.26 174.21 3i55 s GLN 135 N -4.89 3.34 -0.07 1.61 -0.21 -1.26 -1.43 119.66 116.74 3i55 s GLN 135 Ca 0.56 -0.62 -0.25 0.00 0.02 0.00 0.00 55.36 55.07 3i55 s GLN 135 Cb -0.10 -3.88 -0.25 0.00 1.00 0.00 0.00 33.01 29.77 3i55 s GLN 135 CO 0.41 -0.65 0.94 1.25 -2.12 0.00 0.00 175.29 175.12 3i55 h LEU 136 N 8.82 0.20 -9.15 2.90 5.85 -0.85 -3.44 115.31 119.64 3i55 h LEU 136 Ca -0.28 -0.86 -0.55 0.00 0.84 0.00 0.00 57.88 57.02 3i55 h LEU 136 Cb 1.13 -0.06 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 3i55 h LEU 136 CO 0.73 1.04 -0.73 -0.36 -0.34 0.00 0.00 178.44 178.78 3i55 s PHE 137 N -2.78 2.11 -0.22 1.25 0.40 -1.22 -3.02 117.98 114.49 3i55 s PHE 137 Ca -0.16 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 3i55 s PHE 137 Cb -0.00 -1.02 0.11 0.00 0.51 0.00 0.00 43.02 42.62 3i55 s PHE 137 CO 0.74 0.54 0.39 0.99 0.70 0.00 0.00 175.22 178.58 3i55 s THR 138 N -2.72 -0.62 0.27 0.64 2.01 -0.27 -0.54 115.64 114.41 3i55 s THR 138 Ca 0.28 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.39 3i55 s THR 138 Cb -0.01 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 3i55 s THR 138 CO 0.13 -0.03 0.33 0.00 -0.69 0.00 0.00 174.62 174.36 3i55 s ALA 139 N 2.57 3.89 -0.20 7.40 0.00 0.12 -0.46 121.76 135.08 3i55 s ALA 139 Ca 0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 3i55 s ALA 139 Cb -0.14 -1.57 0.07 0.00 0.00 0.00 0.00 23.12 21.48 3i55 s ALA 139 CO -0.14 0.18 0.09 0.71 0.00 0.00 0.00 175.76 176.60 3i55 s TYR 140 N -2.08 0.40 0.26 0.00 1.51 -0.38 -2.32 117.35 114.74 3i55 s TYR 140 Ca 0.36 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3i55 s TYR 140 Cb -0.09 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.90 3i55 s TYR 140 CO 0.28 -0.60 0.10 0.00 -1.11 0.00 0.00 175.55 174.22 3i55 s ASN 142 N -3.32 6.92 0.50 0.00 0.01 -1.26 -2.30 114.94 115.49 3i55 s ASN 142 Ca 0.38 1.42 0.34 0.00 -0.71 0.00 0.00 52.86 54.28 3i55 s ASN 142 Cb 0.08 -2.42 1.16 0.00 0.41 0.00 0.00 41.25 40.47 3i55 s ASN 142 CO 0.14 -0.15 1.24 0.52 -1.51 0.00 0.00 177.10 177.34 3i55 n VAL 143 N -0.03 0.00 0.11 1.60 0.31 -1.26 -1.50 118.33 117.55 3i55 n VAL 143 Ca 0.02 1.19 -0.09 0.00 -0.01 0.00 0.00 64.34 65.46 3i55 n VAL 143 Cb 0.52 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 3i55 n VAL 143 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i55 h GLU 144 N 0.00 -0.34 -0.30 5.55 5.08 -2.00 -3.28 114.58 119.28 3i55 h GLU 144 Ca 0.63 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 3i55 h GLU 144 Cb 2.93 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.26 3i55 h GLU 144 CO -0.01 -0.07 0.00 -0.25 -1.00 0.00 0.00 179.01 177.69 3i55 n ASP 145 N -5.01 0.30 0.23 1.42 8.00 -0.57 -3.76 116.55 117.17 3i55 n ASP 145 Ca -0.07 -1.25 0.08 0.00 0.71 0.00 0.00 54.79 54.26 3i55 n ASP 145 Cb 0.22 -0.15 0.57 0.00 -0.02 0.00 0.00 41.12 41.74 3i55 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i55 h ALA 146 N 1.95 1.42 0.00 2.24 0.00 -1.61 -1.95 119.26 121.31 3i55 h ALA 146 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i55 h ALA 146 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i55 h ALA 146 CO 0.00 0.25 -0.63 0.93 0.00 0.00 0.00 179.25 179.80 3i55 h GLU 147 N 0.00 0.00 0.00 0.00 4.39 -1.86 -2.82 114.58 114.30 3i55 h GLU 147 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i55 h GLU 147 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3i55 h GLU 147 CO 0.03 0.00 -0.31 0.45 -1.16 0.00 0.00 179.01 178.02 3i55 h HIS 148 N 0.00 0.00 0.08 4.33 3.86 -1.67 -2.65 115.15 119.10 3i55 h HIS 148 Ca 0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.89 3i55 h HIS 148 Cb 0.96 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3i55 h HIS 148 CO 0.00 0.00 -1.69 -0.24 0.86 0.00 0.00 177.93 176.86 3i55 h VAL 149 N 0.00 0.94 -0.24 2.45 3.04 -1.41 -2.45 116.25 118.59 3i55 h VAL 149 Ca 0.00 -2.67 -0.10 0.00 -1.01 0.00 0.00 66.70 62.93 3i55 h VAL 149 Cb 0.99 2.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.86 3i55 h VAL 149 CO 0.00 0.75 -0.26 0.11 -1.01 0.00 0.00 177.57 177.16 3i55 h LYS 150 N 0.05 0.45 0.00 4.17 1.57 -1.52 -1.46 116.57 119.83 3i55 h LYS 150 Ca -0.30 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 3i55 h LYS 150 Cb 2.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 3i55 h LYS 150 CO 0.12 0.68 -0.42 1.49 -0.57 0.00 0.00 179.45 180.75 3i55 h GLU 151 N 0.40 0.00 0.00 3.15 4.57 -1.55 -1.82 114.58 119.32 3i55 h GLU 151 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3i55 h GLU 151 Cb 0.67 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3i55 h GLU 151 CO 0.05 0.42 -0.06 0.00 -1.18 0.00 0.00 179.01 178.25 3i55 h ALA 152 N 1.58 0.99 0.05 2.92 0.00 -0.79 -3.05 119.26 120.96 3i55 h ALA 152 Ca -0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.50 3i55 h ALA 152 Cb 1.18 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3i55 h ALA 152 CO 0.05 0.07 -2.13 1.19 0.00 0.00 0.00 179.25 178.44 3i55 n PHE 153 N -3.15 0.69 -0.11 0.00 0.99 -0.69 -3.30 117.46 111.89 3i55 n PHE 153 Ca 0.02 0.18 0.19 0.00 -0.00 0.00 0.00 57.45 57.83 3i55 n PHE 153 Cb 0.41 -1.10 0.59 0.00 -1.00 0.00 0.00 39.48 38.38 3i55 n PHE 153 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3i55 h ARG 154 N 0.03 0.22 0.00 -1.08 2.43 -1.27 0.14 114.38 114.85 3i55 h ARG 154 Ca -0.46 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3i55 h ARG 154 Cb 2.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3i55 h ARG 154 CO 0.03 0.14 -0.00 0.00 -1.51 0.00 0.00 179.97 178.63 3i55 h ARG 155 N 0.22 -0.00 -0.89 0.20 3.08 -1.67 -3.34 114.38 111.98 3i55 h ARG 155 Ca 0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.44 3i55 h ARG 155 Cb 1.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 3i55 h ARG 155 CO -0.07 0.85 0.56 0.00 -1.07 0.00 0.00 179.97 180.24 3i55 h ALA 156 N 0.12 1.21 0.00 0.04 0.00 -1.14 -1.56 119.26 117.93 3i55 h ALA 156 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i55 h ALA 156 Cb 0.85 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i55 h ALA 156 CO 0.00 0.34 0.00 2.48 0.00 0.00 0.00 179.25 182.07 3i55 n TYR 157 N -4.58 0.00 1.03 0.00 0.18 0.34 -2.02 117.16 112.12 3i55 n TYR 157 Ca 0.13 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.02 3i55 n TYR 157 Cb 0.16 -0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.30 3i55 n TYR 157 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3i55 n ASN 158 N -1.00 0.72 -0.44 9.48 3.02 -0.59 -4.11 115.26 122.34 3i55 n ASN 158 Ca 0.15 -0.52 0.04 0.00 -0.03 0.00 0.00 54.58 54.22 3i55 n ASN 158 Cb 0.07 0.39 0.11 0.00 -0.61 0.00 0.00 39.78 39.73 3i55 n ASN 158 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i55 n LYS 159 N -1.34 2.90 -4.40 3.52 5.02 -0.85 -4.97 118.16 118.03 3i55 n LYS 159 Ca 0.06 -1.90 -0.25 0.00 -2.02 0.00 0.00 58.31 54.20 3i55 n LYS 159 Cb 0.34 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 3i55 n LYS 159 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3i55 s ILE 160 N -1.05 2.39 -0.01 -0.18 -4.36 -1.25 -4.66 121.20 112.08 3i55 s ILE 160 Ca 0.16 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.33 3i55 s ILE 160 Cb 0.09 -2.82 -0.21 0.00 1.25 0.00 0.00 42.46 40.77 3i55 s ILE 160 CO 0.11 -0.14 1.14 0.74 0.24 0.00 0.00 174.94 177.03 3i55 h THR 161 N 1.80 1.46 -4.32 8.37 2.02 -1.91 -3.47 112.91 116.86 3i55 h THR 161 Ca -0.43 -1.74 -0.51 0.00 0.77 0.00 0.00 66.41 64.50 3i55 h THR 161 Cb 1.25 2.45 0.08 0.00 -1.74 0.00 0.00 68.15 70.19 3i55 h THR 161 CO 0.70 0.49 0.39 -2.16 0.37 0.00 0.00 175.52 175.31 3i55 s PRO 162 N -3.53 3.22 0.64 6.66 0.04 -1.26 -5.06 135.00 135.71 3i55 s PRO 162 Ca -0.15 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 3i55 s PRO 162 Cb 0.03 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3i55 s PRO 162 CO 0.75 -0.88 1.04 -1.12 0.04 0.00 0.00 177.00 176.84 3i55 s SER 163 N -3.77 5.95 0.28 6.66 0.01 -1.26 -4.87 113.70 116.70 3i55 s SER 163 Ca 0.58 1.51 0.03 0.00 1.31 0.00 0.00 55.95 59.38 3i55 s SER 163 Cb -0.13 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3i55 s SER 163 CO 0.52 -1.06 0.19 0.00 0.41 0.00 0.00 173.24 173.30 3i55 s ARG 165 N -3.80 1.28 -0.44 0.00 0.52 0.02 -4.92 118.95 111.61 3i55 s ARG 165 Ca 0.39 -0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3i55 s ARG 165 Cb 0.05 -1.24 0.08 0.00 0.52 0.00 0.00 34.95 34.36 3i55 s ARG 165 CO 0.19 0.34 0.30 0.42 0.02 0.00 0.00 175.30 176.57 3i55 s ILE 166 N -0.38 4.47 -0.08 1.52 1.01 -1.26 -0.52 121.20 125.95 3i55 s ILE 166 Ca 0.06 -1.35 0.01 0.00 0.00 0.00 0.00 60.65 59.37 3i55 s ILE 166 Cb -0.06 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3i55 s ILE 166 CO -0.01 -0.55 -0.08 -0.75 0.00 0.00 0.00 174.94 173.56 3i55 s LYS 167 N 1.47 2.85 -0.20 2.79 2.20 -0.95 -4.99 119.74 122.92 3i55 s LYS 167 Ca 0.03 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 3i55 s LYS 167 Cb -0.24 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 3i55 s LYS 167 CO 0.03 0.58 0.64 0.08 -0.36 0.00 0.00 175.35 176.33 3i55 s VAL 168 N -0.59 5.01 -0.21 4.02 1.01 -1.26 -1.52 120.40 126.86 3i55 s VAL 168 Ca 0.09 1.22 0.21 0.00 0.00 0.00 0.00 61.98 63.50 3i55 s VAL 168 Cb -0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3i55 s VAL 168 CO 0.02 0.10 0.99 -0.62 0.00 0.00 0.00 175.10 175.58 3i55 n GLU 169 N 5.11 0.61 -3.23 2.72 4.71 0.21 -4.76 120.64 126.01 3i55 n GLU 169 Ca -0.01 0.14 -0.03 0.00 -0.01 0.00 0.00 57.16 57.26 3i55 n GLU 169 Cb 0.50 -1.82 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 3i55 n GLU 169 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3i55 s ARG 170 N -3.27 0.52 -0.34 3.49 0.52 -1.24 -4.91 118.95 113.73 3i55 s ARG 170 Ca -0.01 0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 55.38 3i55 s ARG 170 Cb 0.09 -0.04 0.19 0.00 0.52 0.00 0.00 34.95 35.71 3i55 s ARG 170 CO 0.80 -1.06 1.01 0.20 0.02 0.00 0.00 175.30 176.27 3i55 s GLY 171 N 2.58 -1.58 0.08 -3.53 0.00 -1.26 -3.01 107.32 100.60 3i55 s GLY 171 Ca 0.11 1.03 0.26 0.00 0.00 0.00 0.00 44.72 46.11 3i55 s GLY 171 CO -0.26 4.23 1.65 1.18 0.00 0.00 0.00 173.10 179.91 3i55 n GLU 172 N 3.56 0.14 -2.35 2.90 -0.58 -1.26 -4.69 120.64 118.36 3i55 n GLU 172 Ca 0.07 0.08 -0.36 0.00 -0.42 0.00 0.00 57.16 56.53 3i55 n GLU 172 Cb 0.63 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 3i55 n GLU 172 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i55 s GLU 173 N -3.06 3.24 0.00 3.49 8.01 -1.26 -5.28 118.70 123.83 3i55 s GLU 173 Ca 0.11 -1.20 0.00 0.00 0.01 0.00 0.00 54.97 53.89 3i55 s GLU 173 Cb 0.16 -5.32 0.00 0.00 -4.31 0.00 0.00 34.13 24.66 3i55 s GLU 173 CO 0.62 -2.86 0.00 -0.11 0.01 0.00 0.00 175.26 172.92