#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s GLU 3 N 0.00 3.05 0.18 3.49 -1.05 -1.26 -4.93 118.70 118.18 3ab4 s GLU 3 Ca 0.00 -0.47 0.07 0.00 -0.15 0.00 0.00 54.97 54.42 3ab4 s GLU 3 Cb 0.00 -2.85 -0.05 0.00 -0.44 0.00 0.00 34.13 30.80 3ab4 s GLU 3 CO 0.00 0.66 -0.14 0.00 0.95 0.00 0.00 175.26 176.73 3ab4 s ALA 4 N -1.14 1.87 -0.02 -0.84 0.00 -1.26 -4.52 121.76 115.84 3ab4 s ALA 4 Ca 0.21 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 3ab4 s ALA 4 Cb -0.12 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3ab4 s ALA 4 CO 0.12 0.05 0.05 0.54 0.00 0.00 0.00 175.76 176.51 3ab4 s VAL 5 N -2.93 -0.02 -0.21 0.00 0.11 -0.19 -5.01 120.40 112.15 3ab4 s VAL 5 Ca 0.20 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.27 3ab4 s VAL 5 Cb -0.01 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.73 3ab4 s VAL 5 CO 0.05 0.03 0.01 -0.76 -3.33 0.00 0.00 175.10 171.10 3ab4 s LEU 6 N 0.41 3.23 -0.05 2.54 1.43 -1.26 -0.80 118.68 124.18 3ab4 s LEU 6 Ca -0.03 -0.24 0.13 0.00 -1.03 0.00 0.00 54.13 52.96 3ab4 s LEU 6 Cb -0.05 -1.83 -0.19 0.00 0.03 0.00 0.00 46.19 44.16 3ab4 s LEU 6 CO -0.01 0.03 0.21 0.35 0.23 0.00 0.00 176.35 177.16 3ab4 n THR 7 N 4.46 0.28 0.00 5.49 -2.24 -0.04 -4.97 114.28 117.27 3ab4 n THR 7 Ca -0.17 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3ab4 n THR 7 Cb 0.52 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3ab4 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ab4 n GLY 8 N 1.91 0.45 3.19 3.38 0.00 -1.10 -4.93 105.19 108.09 3ab4 n GLY 8 Ca -0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 3ab4 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s VAL 9 N -2.00 1.86 0.01 1.61 0.11 -1.26 -0.40 120.40 120.32 3ab4 s VAL 9 Ca 0.00 -0.92 0.09 0.00 -2.93 0.00 0.00 61.98 58.21 3ab4 s VAL 9 Cb 0.00 -1.60 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 3ab4 s VAL 9 CO 0.00 0.52 -0.26 0.00 -3.33 0.00 0.00 175.10 172.03 3ab4 s ALA 10 N 0.23 2.18 0.12 1.54 0.00 -0.06 -4.94 121.76 120.83 3ab4 s ALA 10 Ca -0.13 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 50.76 3ab4 s ALA 10 Cb -0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3ab4 s ALA 10 CO 0.06 0.53 -0.25 0.99 0.00 0.00 0.00 175.76 177.09 3ab4 s THR 11 N -0.69 2.37 -0.25 0.00 2.01 -1.26 -0.83 115.64 116.98 3ab4 s THR 11 Ca 0.11 -1.69 -0.16 0.00 0.31 0.00 0.00 61.69 60.26 3ab4 s THR 11 Cb -0.10 -2.05 0.07 0.00 0.01 0.00 0.00 72.50 70.43 3ab4 s THR 11 CO 0.00 0.10 0.63 -0.62 -0.69 0.00 0.00 174.62 174.05 3ab4 s ASP 12 N -2.04 -0.82 -0.19 3.53 -1.08 -0.29 -4.99 116.67 110.79 3ab4 s ASP 12 Ca 0.15 1.36 0.17 0.00 -0.52 0.00 0.00 52.55 53.71 3ab4 s ASP 12 Cb -0.10 1.26 0.46 0.00 -1.46 0.00 0.00 42.92 43.07 3ab4 s ASP 12 CO 0.07 -0.23 1.17 2.29 0.52 0.00 0.00 175.17 178.98 3ab4 n LYS 13 N 4.03 1.76 0.00 4.34 2.85 -1.26 -0.73 118.16 129.15 3ab4 n LYS 13 Ca -0.20 -3.27 0.11 0.00 -1.05 0.00 0.00 58.31 53.91 3ab4 n LYS 13 Cb 0.58 -1.39 0.09 0.00 -0.65 0.00 0.00 35.03 33.66 3ab4 n LYS 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 14 N -0.46 2.89 -4.58 -5.58 3.41 -1.26 -4.99 113.62 103.05 3ab4 n SER 14 Ca 0.18 -1.95 -0.26 0.00 -0.26 0.00 0.00 58.87 56.58 3ab4 n SER 14 Cb 0.91 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 3ab4 n SER 14 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 15 N -1.93 2.11 0.24 4.33 2.02 -1.26 -0.20 118.70 124.00 3ab4 s GLU 15 Ca 0.27 -1.27 0.06 0.00 0.02 0.00 0.00 54.97 54.04 3ab4 s GLU 15 Cb 0.19 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 3ab4 s GLU 15 CO 0.29 0.43 0.23 0.00 0.02 0.00 0.00 175.26 176.24 3ab4 s ALA 16 N -1.77 3.69 -0.11 5.21 0.00 -0.38 -4.45 121.76 123.94 3ab4 s ALA 16 Ca 0.26 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 3ab4 s ALA 16 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 3ab4 s ALA 16 CO 0.16 0.29 -0.11 0.21 0.00 0.00 0.00 175.76 176.31 3ab4 s LYS 17 N -3.78 3.21 -0.05 0.00 2.20 0.13 -2.54 119.74 118.92 3ab4 s LYS 17 Ca 0.33 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 3ab4 s LYS 17 Cb -0.08 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 3ab4 s LYS 17 CO 0.26 0.34 -0.12 0.54 -0.36 0.00 0.00 175.35 176.01 3ab4 s VAL 18 N 0.03 1.08 -0.17 4.02 0.11 -0.20 0.09 120.40 125.35 3ab4 s VAL 18 Ca -0.03 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 3ab4 s VAL 18 Cb -0.14 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 3ab4 s VAL 18 CO 0.04 0.33 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.05 3ab4 s THR 19 N 0.37 2.05 -0.42 5.04 2.01 -1.03 -0.65 115.64 123.01 3ab4 s THR 19 Ca -0.08 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.76 3ab4 s THR 19 Cb -0.12 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.56 3ab4 s THR 19 CO 0.02 0.54 0.69 -0.69 -0.69 0.00 0.00 174.62 174.49 3ab4 s VAL 20 N 1.21 4.78 -0.18 3.82 1.01 -0.03 -2.35 120.40 128.66 3ab4 s VAL 20 Ca 0.03 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 3ab4 s VAL 20 Cb -0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3ab4 s VAL 20 CO -0.11 -0.58 0.40 -0.76 0.00 0.00 0.00 175.10 174.05 3ab4 s LEU 21 N 2.95 4.19 -0.13 3.92 1.43 0.15 -2.11 118.68 129.08 3ab4 s LEU 21 Ca 0.25 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3ab4 s LEU 21 Cb -0.14 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3ab4 s LEU 21 CO 0.19 -0.04 0.11 0.61 0.23 0.00 0.00 176.35 177.45 3ab4 n GLY 22 N 3.74 0.54 3.80 -3.19 0.00 -0.78 -1.35 105.19 107.95 3ab4 n GLY 22 Ca -0.08 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3ab4 n GLY 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ab4 s ILE 23 N -3.04 4.48 0.13 -0.61 2.07 0.93 -4.11 121.20 121.05 3ab4 s ILE 23 Ca 0.02 1.49 -0.30 0.00 -1.41 0.00 0.00 60.65 60.45 3ab4 s ILE 23 Cb -0.01 -3.99 -0.06 0.00 0.13 0.00 0.00 42.46 38.52 3ab4 s ILE 23 CO 0.08 0.38 1.00 -0.94 -1.91 0.00 0.00 174.94 173.54 3ab4 s SER 24 N -1.37 7.44 -1.44 4.50 1.04 -1.26 -0.48 113.70 122.12 3ab4 s SER 24 Ca 0.39 1.87 -0.10 0.00 0.48 0.00 0.00 55.95 58.59 3ab4 s SER 24 Cb -0.20 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.38 3ab4 s SER 24 CO 0.23 -0.11 2.40 -0.67 0.98 0.00 0.00 173.24 176.07 3ab4 n ASP 25 N 2.72 6.47 -4.23 7.02 2.03 -1.15 -4.78 116.55 124.63 3ab4 n ASP 25 Ca 0.03 -2.89 -0.14 0.00 0.52 0.00 0.00 54.79 52.30 3ab4 n ASP 25 Cb 0.48 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 3ab4 n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3ab4 s LYS 26 N 1.33 0.99 0.53 -0.67 -2.85 -1.26 -5.02 119.74 112.80 3ab4 s LYS 26 Ca 0.54 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.93 3ab4 s LYS 26 Cb 0.15 -0.60 -0.05 0.00 -2.06 0.00 0.00 37.83 35.27 3ab4 s LYS 26 CO -0.06 0.08 1.39 -2.14 0.10 0.00 0.00 175.35 174.72 3ab4 s PRO 27 N -3.41 3.21 0.00 1.78 0.02 -1.26 -2.89 135.00 132.45 3ab4 s PRO 27 Ca 0.13 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3ab4 s PRO 27 Cb 0.01 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3ab4 s PRO 27 CO 0.00 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 3ab4 n GLY 28 N 0.71 3.25 0.16 0.52 0.00 -1.26 -4.95 105.19 103.61 3ab4 n GLY 28 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3ab4 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 29 N 1.79 0.49 -0.87 1.61 4.39 -1.83 -2.40 114.58 117.76 3ab4 h GLU 29 Ca 0.00 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.34 3ab4 h GLU 29 Cb 0.00 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3ab4 h GLU 29 CO 0.00 1.01 0.57 0.00 -1.16 0.00 0.00 179.01 179.42 3ab4 h ALA 30 N 0.49 1.13 -0.79 3.43 0.00 -1.90 -2.84 119.26 118.77 3ab4 h ALA 30 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 30 Cb 1.07 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3ab4 h ALA 30 CO 0.09 0.44 0.42 0.00 0.00 0.00 0.00 179.25 180.21 3ab4 h ALA 31 N 1.34 1.13 -0.21 0.00 0.00 -1.91 -2.45 119.26 117.16 3ab4 h ALA 31 Ca 0.34 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3ab4 h ALA 31 Cb -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3ab4 h ALA 31 CO -0.10 0.01 -0.11 0.87 0.00 0.00 0.00 179.25 179.92 3ab4 h LYS 32 N 0.69 -0.08 -0.31 0.00 1.57 -1.18 -1.82 116.57 115.44 3ab4 h LYS 32 Ca 0.40 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3ab4 h LYS 32 Cb 0.43 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3ab4 h LYS 32 CO -0.28 -0.05 0.19 0.28 -0.57 0.00 0.00 179.45 179.02 3ab4 h VAL 33 N -0.09 1.10 0.08 0.50 2.07 -1.47 -3.00 116.25 115.45 3ab4 h VAL 33 Ca 0.12 -0.21 -0.25 0.00 0.82 0.00 0.00 66.70 67.17 3ab4 h VAL 33 Cb 0.26 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3ab4 h VAL 33 CO -0.27 0.10 -1.18 -0.26 0.02 0.00 0.00 177.57 175.97 3ab4 h PHE 34 N 0.40 0.31 0.10 1.57 0.04 -1.42 -2.77 116.94 115.18 3ab4 h PHE 34 Ca 0.11 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.67 3ab4 h PHE 34 Cb -0.01 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3ab4 h PHE 34 CO -0.05 1.19 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.53 3ab4 h ARG 35 N 0.05 -0.40 -0.00 1.51 1.12 -1.35 0.42 114.38 115.73 3ab4 h ARG 35 Ca -0.10 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.83 3ab4 h ARG 35 Cb 1.91 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 31.91 3ab4 h ARG 35 CO 0.17 -0.26 -0.31 0.00 -3.11 0.00 0.00 179.97 176.46 3ab4 h ALA 36 N 0.38 -0.45 -0.70 2.80 0.00 -1.55 0.49 119.26 120.23 3ab4 h ALA 36 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 36 Cb 0.44 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3ab4 h ALA 36 CO -0.14 -0.82 0.40 -0.07 0.00 0.00 0.00 179.25 178.62 3ab4 h LEU 37 N -0.46 0.62 -0.82 0.00 4.07 -1.32 -2.13 115.31 115.27 3ab4 h LEU 37 Ca 0.06 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3ab4 h LEU 37 Cb 0.55 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3ab4 h LEU 37 CO -0.26 0.40 0.35 0.00 -1.08 0.00 0.00 178.44 177.85 3ab4 h ALA 38 N 1.35 1.06 -0.45 1.53 0.00 0.61 -2.15 119.26 121.21 3ab4 h ALA 38 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 38 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ab4 h ALA 38 CO -0.17 0.67 0.08 -0.44 0.00 0.00 0.00 179.25 179.39 3ab4 h ASP 39 N 1.18 0.64 0.41 0.00 3.32 0.45 0.75 116.42 123.18 3ab4 h ASP 39 Ca 0.28 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ab4 h ASP 39 Cb 0.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ab4 h ASP 39 CO -0.03 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 3ab4 n ALA 40 N -2.47 1.86 -2.78 3.45 0.00 -0.85 -4.89 120.51 114.84 3ab4 n ALA 40 Ca 0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3ab4 n ALA 40 Cb 0.23 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.43 3ab4 n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ab4 n GLU 41 N -1.36 -3.37 -3.10 0.00 4.07 0.26 -4.99 120.64 112.14 3ab4 n GLU 41 Ca 0.06 0.63 -0.42 0.00 -0.06 0.00 0.00 57.16 57.38 3ab4 n GLU 41 Cb 0.16 -4.90 -0.06 0.00 -0.06 0.00 0.00 31.44 26.57 3ab4 n GLU 41 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3ab4 s ILE 42 N -2.97 4.89 -0.70 6.31 1.01 -0.85 -5.01 121.20 123.87 3ab4 s ILE 42 Ca 0.21 0.65 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 3ab4 s ILE 42 Cb -0.09 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.34 3ab4 s ILE 42 CO 0.26 -0.30 1.21 0.21 0.00 0.00 0.00 174.94 176.32 3ab4 s ASN 43 N 1.77 6.21 0.47 3.58 3.04 -1.26 -4.57 114.94 124.18 3ab4 s ASN 43 Ca 0.25 -0.45 -0.21 0.00 0.04 0.00 0.00 52.86 52.49 3ab4 s ASN 43 Cb -0.14 -2.53 -0.08 0.00 -1.54 0.00 0.00 41.25 36.95 3ab4 s ASN 43 CO 0.14 -1.71 1.06 -0.63 -3.04 0.00 0.00 177.10 172.93 3ab4 s ILE 44 N 5.31 3.63 0.00 -5.21 1.09 -1.26 -4.31 121.20 120.46 3ab4 s ILE 44 Ca 0.34 1.09 0.00 0.00 -1.10 0.00 0.00 60.65 60.98 3ab4 s ILE 44 Cb -0.09 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 3ab4 s ILE 44 CO 0.16 -0.15 0.00 -0.67 -0.10 0.00 0.00 174.94 174.18 3ab4 n ASP 45 N -0.75 0.00 -4.78 3.58 2.03 -0.19 -4.98 116.55 111.46 3ab4 n ASP 45 Ca 0.08 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.03 3ab4 n ASP 45 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 3ab4 n ASP 45 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3ab4 s MET 46 N 0.21 4.06 -0.03 -0.67 -1.94 -1.25 -4.82 119.30 114.86 3ab4 s MET 46 Ca 0.00 1.56 -0.00 0.00 -1.71 0.00 0.00 55.69 55.54 3ab4 s MET 46 Cb 0.00 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.38 3ab4 s MET 46 CO 0.00 -0.24 0.02 0.08 -0.01 0.00 0.00 175.02 174.87 3ab4 s VAL 47 N -1.65 0.09 -0.05 -6.03 1.01 -1.26 -1.54 120.40 110.96 3ab4 s VAL 47 Ca 0.59 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 3ab4 s VAL 47 Cb -0.23 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3ab4 s VAL 47 CO 0.29 0.14 0.03 -0.22 0.00 0.00 0.00 175.10 175.34 3ab4 s LEU 48 N 1.25 0.42 -0.12 3.92 0.20 -0.07 -5.01 118.68 119.27 3ab4 s LEU 48 Ca -0.07 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 3ab4 s LEU 48 Cb -0.13 -0.29 0.03 0.00 -0.43 0.00 0.00 46.19 45.37 3ab4 s LEU 48 CO -0.02 -0.21 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.19 3ab4 s GLN 49 N 2.00 1.29 0.12 1.98 0.74 -1.26 -1.17 119.66 123.36 3ab4 s GLN 49 Ca 0.04 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.20 3ab4 s GLN 49 Cb -0.12 -1.60 0.02 0.00 1.10 0.00 0.00 33.01 32.41 3ab4 s GLN 49 CO -0.04 -0.33 0.17 -1.71 -0.55 0.00 0.00 175.29 172.83 3ab4 n ASN 50 N 4.97 0.34 -4.73 6.67 4.05 -1.26 -5.07 115.26 120.23 3ab4 n ASN 50 Ca -0.11 -1.26 -0.33 0.00 0.45 0.00 0.00 54.58 53.33 3ab4 n ASN 50 Cb 0.49 -0.10 0.09 0.00 1.23 0.00 0.00 39.78 41.49 3ab4 n ASN 50 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3ab4 s VAL 51 N -0.01 2.60 0.89 3.44 -7.23 -1.26 -4.71 120.40 114.12 3ab4 s VAL 51 Ca 0.12 0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 3ab4 s VAL 51 Cb -0.01 -2.74 0.13 0.00 0.56 0.00 0.00 36.38 34.31 3ab4 s VAL 51 CO 0.08 -0.18 1.10 0.72 -0.31 0.00 0.00 175.10 176.50 3ab4 s PHE 52 N -2.25 2.43 -0.25 2.82 -0.12 -1.26 -4.76 117.98 114.58 3ab4 s PHE 52 Ca 0.70 1.13 -0.10 0.00 -0.05 0.00 0.00 56.93 58.61 3ab4 s PHE 52 Cb -0.25 -3.20 -0.05 0.00 -0.63 0.00 0.00 43.02 38.90 3ab4 s PHE 52 CO 0.47 -2.33 0.16 -1.54 -0.05 0.00 0.00 175.22 171.94 3ab4 s SER 53 N -3.62 5.99 0.23 1.98 1.04 -0.33 -4.98 113.70 114.02 3ab4 s SER 53 Ca 0.63 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 3ab4 s SER 53 Cb -0.17 -2.09 0.33 0.00 0.10 0.00 0.00 66.02 64.19 3ab4 s SER 53 CO 0.56 0.02 1.80 -0.37 0.98 0.00 0.00 173.24 176.22 3ab4 h VAL 54 N 5.19 0.91 0.23 5.02 -1.51 -1.97 0.34 116.25 124.46 3ab4 h VAL 54 Ca -0.37 -0.24 0.01 0.00 -1.23 0.00 0.00 66.70 64.87 3ab4 h VAL 54 Cb 1.18 0.14 -0.04 0.00 -2.13 0.00 0.00 31.29 30.45 3ab4 h VAL 54 CO 0.61 0.13 -0.40 -0.33 -1.23 0.00 0.00 177.57 176.35 3ab4 h GLU 55 N 0.70 -0.68 0.15 5.19 3.07 -1.97 -3.18 114.58 117.85 3ab4 h GLU 55 Ca 0.35 0.05 -0.29 0.00 -0.50 0.00 0.00 59.36 58.97 3ab4 h GLU 55 Cb 0.31 0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.39 3ab4 h GLU 55 CO -0.24 -0.45 -1.27 -0.44 -1.40 0.00 0.00 179.01 175.21 3ab4 h ASP 56 N -0.71 0.59 -1.38 1.42 5.19 -1.95 -3.48 116.42 116.11 3ab4 h ASP 56 Ca 0.00 -0.61 -0.09 0.00 -0.62 0.00 0.00 57.03 55.71 3ab4 h ASP 56 Cb 0.69 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.02 3ab4 h ASP 56 CO -0.16 1.46 -0.14 0.61 -3.12 0.00 0.00 179.24 177.89 3ab4 n GLY 57 N 1.50 0.40 3.18 2.75 0.00 0.12 -5.05 105.19 108.08 3ab4 n GLY 57 Ca -0.11 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 3ab4 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab4 s THR 58 N -2.66 0.12 0.19 2.61 -4.23 -1.23 -2.95 115.64 107.50 3ab4 s THR 58 Ca 0.07 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 3ab4 s THR 58 Cb -0.03 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 3ab4 s THR 58 CO 0.08 -0.31 0.18 1.07 -0.54 0.00 0.00 174.62 175.10 3ab4 n THR 59 N -0.17 0.00 -4.63 3.99 5.66 0.37 -1.18 114.28 118.31 3ab4 n THR 59 Ca -0.03 -1.33 -0.25 0.00 -3.05 0.00 0.00 64.05 59.39 3ab4 n THR 59 Cb 0.64 0.68 -0.14 0.00 -1.55 0.00 0.00 70.33 69.96 3ab4 n THR 59 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ab4 s ASP 60 N -2.31 2.40 -0.13 1.09 1.01 -1.26 -0.05 116.67 117.42 3ab4 s ASP 60 Ca 0.22 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 52.98 3ab4 s ASP 60 Cb 0.01 -0.20 0.02 0.00 1.01 0.00 0.00 42.92 43.76 3ab4 s ASP 60 CO 0.15 0.15 -0.17 -0.63 0.21 0.00 0.00 175.17 174.89 3ab4 s ILE 61 N -0.79 1.71 0.06 0.77 1.01 -0.90 -4.14 121.20 118.93 3ab4 s ILE 61 Ca 0.07 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3ab4 s ILE 61 Cb -0.09 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3ab4 s ILE 61 CO 0.02 0.48 -0.07 0.42 0.00 0.00 0.00 174.94 175.79 3ab4 s THR 62 N 1.08 3.60 0.03 2.92 -4.23 -0.32 -0.85 115.64 117.88 3ab4 s THR 62 Ca -0.03 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 3ab4 s THR 62 Cb -0.14 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3ab4 s THR 62 CO -0.05 0.22 0.06 0.72 -0.54 0.00 0.00 174.62 175.03 3ab4 s PHE 63 N -1.15 0.23 0.20 3.99 -0.12 0.18 -0.89 117.98 120.41 3ab4 s PHE 63 Ca 0.21 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.63 3ab4 s PHE 63 Cb -0.11 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3ab4 s PHE 63 CO 0.12 -0.32 0.09 0.95 -0.05 0.00 0.00 175.22 176.01 3ab4 s THR 64 N -2.38 4.10 0.31 -4.49 -4.23 -0.59 -1.04 115.64 107.32 3ab4 s THR 64 Ca -0.07 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 3ab4 s THR 64 Cb -0.03 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.71 3ab4 s THR 64 CO -0.04 -0.21 0.63 0.00 -0.54 0.00 0.00 174.62 174.46 3ab4 n PRO 66 N -0.47 1.87 -0.30 0.00 -0.02 -1.26 -1.25 135.00 133.56 3ab4 n PRO 66 Ca -0.04 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3ab4 n PRO 66 Cb 0.61 -2.29 0.28 0.00 -0.02 0.00 0.00 33.50 32.07 3ab4 n PRO 66 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ab4 n ARG 67 N 2.01 -0.07 0.26 -0.52 3.00 0.71 -0.72 116.66 121.33 3ab4 n ARG 67 Ca 0.12 1.30 0.10 0.00 -0.00 0.00 0.00 57.85 59.38 3ab4 n ARG 67 Cb 0.30 -2.09 0.68 0.00 0.00 0.00 0.00 32.46 31.35 3ab4 n ARG 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3ab4 h SER 68 N 0.00 0.00 0.01 6.15 4.64 -1.87 -1.52 113.55 120.95 3ab4 h SER 68 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3ab4 h SER 68 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ab4 h SER 68 CO -0.81 0.11 -0.03 0.47 -0.87 0.00 0.00 176.83 175.70 3ab4 n ASP 69 N -3.95 1.60 0.11 4.97 10.43 0.10 -4.62 116.55 125.20 3ab4 n ASP 69 Ca -0.02 -1.48 -0.13 0.00 2.57 0.00 0.00 54.79 55.73 3ab4 n ASP 69 Cb 0.20 0.02 -0.06 0.00 1.84 0.00 0.00 41.12 43.13 3ab4 n ASP 69 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3ab4 h GLY 70 N 4.85 -0.54 1.54 0.44 0.00 -1.19 0.19 103.07 108.36 3ab4 h GLY 70 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 3ab4 h GLY 70 CO 0.00 -0.23 -0.61 0.07 0.00 0.00 0.00 176.54 175.76 3ab4 h ARG 71 N -0.50 0.47 -0.25 4.80 -0.00 -1.82 -2.91 114.38 114.16 3ab4 h ARG 71 Ca 0.03 -0.32 0.01 0.00 -0.00 0.00 0.00 59.98 59.70 3ab4 h ARG 71 Cb 0.53 0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.53 3ab4 h ARG 71 CO -0.17 0.94 0.13 0.00 -0.00 0.00 0.00 179.97 180.87 3ab4 h ARG 72 N 0.35 0.27 -0.53 0.08 3.08 -1.74 -0.16 114.38 115.73 3ab4 h ARG 72 Ca -0.01 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.13 3ab4 h ARG 72 Cb 1.16 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 31.05 3ab4 h ARG 72 CO 0.11 0.18 -0.08 0.00 -1.07 0.00 0.00 179.97 179.10 3ab4 h ALA 73 N 1.12 0.41 -0.36 0.04 0.00 -0.94 0.24 119.26 119.77 3ab4 h ALA 73 Ca 0.10 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3ab4 h ALA 73 Cb 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ab4 h ALA 73 CO -0.06 -0.42 -0.18 1.98 0.00 0.00 0.00 179.25 180.57 3ab4 h MET 74 N 0.04 0.67 -0.15 0.00 -1.53 -1.17 -2.44 114.93 110.36 3ab4 h MET 74 Ca 0.26 -0.24 -0.17 0.00 -3.44 0.00 0.00 59.70 56.11 3ab4 h MET 74 Cb 0.40 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3ab4 h MET 74 CO -0.51 0.81 -0.61 0.93 0.14 0.00 0.00 176.91 177.67 3ab4 h GLU 75 N 0.60 0.50 0.00 0.39 5.08 -0.48 -2.95 114.58 117.72 3ab4 h GLU 75 Ca 0.10 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3ab4 h GLU 75 Cb 0.64 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3ab4 h GLU 75 CO 0.04 0.96 -0.03 0.82 -1.00 0.00 0.00 179.01 179.80 3ab4 h ILE 76 N 0.37 0.46 0.00 3.13 1.08 -0.52 -3.02 117.51 119.01 3ab4 h ILE 76 Ca -0.01 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3ab4 h ILE 76 Cb 1.17 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 3ab4 h ILE 76 CO 0.11 0.03 -0.71 0.18 -0.69 0.00 0.00 178.15 177.08 3ab4 n LEU 77 N -3.68 0.68 0.12 1.44 4.77 -0.97 -4.61 117.00 114.75 3ab4 n LEU 77 Ca -0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3ab4 n LEU 77 Cb 0.13 -0.15 0.31 0.00 -2.33 0.00 0.00 43.42 41.37 3ab4 n LEU 77 CO 0.27 0.16 0.74 0.11 -1.33 0.00 0.00 177.39 177.35 3ab4 h LYS 78 N 0.00 0.19 -0.12 3.23 1.79 -1.49 -0.61 116.57 119.56 3ab4 h LYS 78 Ca 0.00 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.21 3ab4 h LYS 78 Cb 0.51 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3ab4 h LYS 78 CO 0.00 0.48 -0.69 0.87 -1.08 0.00 0.00 179.45 179.03 3ab4 h LYS 79 N 0.17 0.53 0.00 3.15 1.57 -1.82 -2.96 116.57 117.21 3ab4 h LYS 79 Ca 0.02 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3ab4 h LYS 79 Cb 0.63 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3ab4 h LYS 79 CO 0.05 1.03 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.62 3ab4 h LEU 80 N 0.37 0.00 -1.07 2.94 -0.00 -1.72 -1.44 115.31 114.39 3ab4 h LEU 80 Ca -0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 3ab4 h LEU 80 Cb 1.27 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.86 3ab4 h LEU 80 CO 0.13 0.26 0.62 -0.61 -0.00 0.00 0.00 178.44 178.84 3ab4 h GLN 81 N 0.00 0.97 -4.87 1.13 4.15 -0.95 -3.45 115.11 112.09 3ab4 h GLN 81 Ca -0.00 -0.06 -0.68 0.00 0.77 0.00 0.00 58.65 58.68 3ab4 h GLN 81 Cb 0.52 -0.22 -0.18 0.00 0.21 0.00 0.00 27.48 27.81 3ab4 h GLN 81 CO 0.03 0.64 -0.25 0.14 -1.93 0.00 0.00 178.83 177.47 3ab4 s VAL 82 N -5.92 5.13 0.00 2.39 -7.23 -0.55 -2.00 120.40 112.22 3ab4 s VAL 82 Ca -0.12 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 3ab4 s VAL 82 Cb 0.21 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 33.20 3ab4 s VAL 82 CO 0.81 -0.30 0.00 -3.20 -0.31 0.00 0.00 175.10 172.10 3ab4 n ASN 85 N 5.50 0.00 -4.77 4.85 5.15 -1.26 -5.06 115.26 119.66 3ab4 n ASN 85 Ca -0.08 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.50 3ab4 n ASN 85 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.72 3ab4 n ASN 85 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3ab4 s TRP 86 N 0.00 2.96 0.33 1.20 0.51 -0.85 -4.92 118.94 118.18 3ab4 s TRP 86 Ca 0.00 1.40 0.01 0.00 -2.12 0.00 0.00 56.10 55.39 3ab4 s TRP 86 Cb 0.00 -3.69 0.58 0.00 -0.81 0.00 0.00 33.47 29.54 3ab4 s TRP 86 CO 0.00 -1.98 2.00 1.15 -0.51 0.00 0.00 176.95 177.61 3ab4 h THR 87 N 2.86 1.18 0.00 2.01 2.02 -1.36 -3.48 112.91 116.14 3ab4 h THR 87 Ca -0.49 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3ab4 h THR 87 Cb 1.23 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3ab4 h THR 87 CO 0.64 0.17 0.00 -3.20 0.37 0.00 0.00 175.52 173.51 3ab4 n ASN 88 N -4.43 0.00 -3.78 4.18 4.05 -1.15 -5.01 115.26 109.12 3ab4 n ASN 88 Ca 0.07 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 54.94 3ab4 n ASN 88 Cb 0.04 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 40.88 3ab4 n ASN 88 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3ab4 s VAL 89 N -2.00 0.04 0.28 3.44 0.11 -1.26 -0.67 120.40 120.34 3ab4 s VAL 89 Ca 0.00 0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 3ab4 s VAL 89 Cb 0.00 -0.17 -0.06 0.00 -1.53 0.00 0.00 36.38 34.62 3ab4 s VAL 89 CO 0.00 0.12 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.12 3ab4 s LEU 90 N 1.16 2.33 0.07 2.54 1.43 -0.99 -5.01 118.68 120.20 3ab4 s LEU 90 Ca -0.08 -1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 3ab4 s LEU 90 Cb -0.13 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3ab4 s LEU 90 CO -0.03 -0.46 0.05 -0.72 0.23 0.00 0.00 176.35 175.43 3ab4 s TYR 91 N -3.20 0.39 -0.15 0.29 -0.85 -1.26 -2.47 117.35 110.10 3ab4 s TYR 91 Ca 0.31 -0.89 -0.04 0.00 -0.52 0.00 0.00 57.07 55.93 3ab4 s TYR 91 Cb 0.06 -0.27 0.06 0.00 0.38 0.00 0.00 41.96 42.19 3ab4 s TYR 91 CO 0.12 -0.44 0.13 0.34 -1.52 0.00 0.00 175.55 174.17 3ab4 s ASP 92 N -2.90 1.70 -0.24 -0.18 2.15 0.11 -4.97 116.67 112.34 3ab4 s ASP 92 Ca 0.07 -0.28 0.12 0.00 0.43 0.00 0.00 52.55 52.89 3ab4 s ASP 92 Cb 0.07 0.00 0.51 0.00 -0.30 0.00 0.00 42.92 43.20 3ab4 s ASP 92 CO -0.10 -0.31 1.44 -0.90 -0.17 0.00 0.00 175.17 175.13 3ab4 n ASP 93 N 5.30 3.08 -2.43 -0.34 5.75 -1.26 0.20 116.55 126.86 3ab4 n ASP 93 Ca -0.06 -3.43 -0.19 0.00 -0.01 0.00 0.00 54.79 51.11 3ab4 n ASP 93 Cb 0.49 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 40.01 3ab4 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ab4 n GLN 94 N -0.89 2.83 -4.79 0.11 6.02 -1.26 -4.93 117.38 114.47 3ab4 n GLN 94 Ca 0.28 -4.04 -0.32 0.00 -0.01 0.00 0.00 57.00 52.92 3ab4 n GLN 94 Cb 0.98 -1.98 -0.13 0.00 1.02 0.00 0.00 30.24 30.12 3ab4 n GLN 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ab4 s VAL 95 N -4.58 2.88 0.13 5.09 0.11 -1.26 -2.27 120.40 120.50 3ab4 s VAL 95 Ca 0.42 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.58 3ab4 s VAL 95 Cb 0.40 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 3ab4 s VAL 95 CO -0.06 0.46 -0.23 -0.83 -3.33 0.00 0.00 175.10 171.11 3ab4 s GLY 96 N -1.10 1.41 -0.13 6.54 0.00 0.22 -4.56 107.32 109.69 3ab4 s GLY 96 Ca 0.13 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3ab4 s GLY 96 CO 0.03 -1.39 -0.21 1.25 0.00 0.00 0.00 173.10 172.78 3ab4 s LYS 97 N -2.15 2.90 0.03 2.90 2.20 0.09 -0.60 119.74 125.11 3ab4 s LYS 97 Ca 0.11 -0.81 0.09 0.00 -0.36 0.00 0.00 55.97 55.00 3ab4 s LYS 97 Cb -0.09 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 3ab4 s LYS 97 CO 0.06 0.00 -0.26 0.08 -0.36 0.00 0.00 175.35 174.87 3ab4 s VAL 98 N 0.78 2.16 -0.03 4.02 1.01 -0.87 -1.13 120.40 126.33 3ab4 s VAL 98 Ca -0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 3ab4 s VAL 98 Cb -0.16 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3ab4 s VAL 98 CO -0.01 0.40 0.09 -0.44 0.00 0.00 0.00 175.10 175.15 3ab4 s SER 99 N -1.15 -0.09 -0.25 3.32 0.01 -0.01 -1.22 113.70 114.31 3ab4 s SER 99 Ca 0.12 0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.38 3ab4 s SER 99 Cb -0.10 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3ab4 s SER 99 CO 0.02 -0.05 0.40 -0.22 0.41 0.00 0.00 173.24 173.80 3ab4 s LEU 100 N -0.02 4.07 -0.14 2.44 2.96 -0.51 -0.89 118.68 126.59 3ab4 s LEU 100 Ca -0.01 0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 3ab4 s LEU 100 Cb -0.01 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3ab4 s LEU 100 CO 0.00 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 3ab4 s VAL 101 N 1.93 5.02 0.00 1.68 1.01 0.46 -1.30 120.40 129.19 3ab4 s VAL 101 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3ab4 s VAL 101 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3ab4 s VAL 101 CO 0.09 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3ab4 n GLY 102 N 2.65 2.05 3.64 4.51 0.00 -0.98 -0.86 105.19 116.21 3ab4 n GLY 102 Ca -0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 3ab4 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 103 N -1.00 -2.27 0.00 4.61 0.00 0.02 -4.44 121.76 118.68 3ab4 s ALA 103 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 51.96 53.95 3ab4 s ALA 103 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3ab4 s ALA 103 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3ab4 n GLY 104 N 2.84 0.55 0.00 0.00 0.00 -1.04 -1.03 105.19 106.51 3ab4 n GLY 104 Ca -0.15 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.33 3ab4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ab4 n MET 105 N -2.77 0.30 -0.08 1.61 2.00 -0.76 -3.67 117.12 113.75 3ab4 n MET 105 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 57.70 57.65 3ab4 n MET 105 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 3ab4 n MET 105 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3ab4 h LYS 106 N 0.00 0.60 0.00 0.03 3.64 -1.89 -2.61 116.57 116.33 3ab4 h LYS 106 Ca 0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3ab4 h LYS 106 Cb 0.21 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ab4 h LYS 106 CO 0.00 0.92 0.00 -1.13 -2.27 0.00 0.00 179.45 176.97 3ab4 n SER 107 N -4.34 0.00 -3.47 4.20 3.41 -1.24 -4.08 113.62 108.10 3ab4 n SER 107 Ca -0.05 -0.78 -0.27 0.00 -0.26 0.00 0.00 58.87 57.52 3ab4 n SER 107 Cb 0.45 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 3ab4 n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ab4 n HIS 108 N -1.01 2.48 0.50 7.33 8.25 -0.98 -4.93 115.22 126.85 3ab4 n HIS 108 Ca 0.19 -4.01 0.06 0.00 -0.26 0.00 0.00 57.72 53.70 3ab4 n HIS 108 Cb 0.09 -0.47 0.29 0.00 1.12 0.00 0.00 29.99 31.02 3ab4 n HIS 108 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ab4 n PRO 109 N 1.30 0.05 -0.09 -0.41 -0.04 -1.26 -1.76 135.00 132.79 3ab4 n PRO 109 Ca 0.26 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 3ab4 n PRO 109 Cb 0.43 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.71 3ab4 n PRO 109 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3ab4 h GLY 110 N 2.24 0.79 0.86 0.55 0.00 -1.91 -2.58 103.07 103.01 3ab4 h GLY 110 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3ab4 h GLY 110 CO 0.00 0.31 0.04 -2.08 0.00 0.00 0.00 176.54 174.81 3ab4 h VAL 111 N 0.75 0.95 -0.51 4.60 2.07 -1.68 0.18 116.25 122.61 3ab4 h VAL 111 Ca 0.20 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3ab4 h VAL 111 Cb -0.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3ab4 h VAL 111 CO -0.04 0.02 0.28 0.74 0.02 0.00 0.00 177.57 178.59 3ab4 h THR 112 N 0.11 1.18 0.42 2.57 2.02 -1.72 0.05 112.91 117.53 3ab4 h THR 112 Ca 0.07 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3ab4 h THR 112 Cb 0.05 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3ab4 h THR 112 CO -0.08 0.19 -0.36 0.00 0.37 0.00 0.00 175.52 175.64 3ab4 h ALA 113 N 1.12 -0.82 -0.72 6.16 0.00 -1.03 -1.95 119.26 122.03 3ab4 h ALA 113 Ca 0.18 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ab4 h ALA 113 Cb 0.05 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ab4 h ALA 113 CO -0.03 -0.99 0.47 0.93 0.00 0.00 0.00 179.25 179.63 3ab4 h GLU 114 N -0.79 0.75 0.07 0.00 5.08 -0.48 -0.04 114.58 119.17 3ab4 h GLU 114 Ca -0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3ab4 h GLU 114 Cb 0.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ab4 h GLU 114 CO -0.03 0.50 -0.04 0.35 -1.00 0.00 0.00 179.01 178.79 3ab4 h PHE 115 N 0.77 -0.09 -0.71 4.33 3.57 -0.71 -0.58 116.94 123.52 3ab4 h PHE 115 Ca 0.30 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3ab4 h PHE 115 Cb 0.21 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3ab4 h PHE 115 CO -0.00 -0.06 0.27 0.52 -2.23 0.00 0.00 178.31 176.81 3ab4 h MET 116 N -0.10 1.08 -0.28 1.11 2.86 -0.56 -3.03 114.93 116.01 3ab4 h MET 116 Ca -0.01 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 3ab4 h MET 116 Cb 0.08 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3ab4 h MET 116 CO 0.01 0.89 -0.09 0.93 1.06 0.00 0.00 176.91 179.72 3ab4 h GLU 117 N 1.03 0.45 -0.49 1.72 5.08 -0.76 -2.06 114.58 119.55 3ab4 h GLU 117 Ca 0.24 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3ab4 h GLU 117 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ab4 h GLU 117 CO -0.02 0.56 -0.15 0.00 -1.00 0.00 0.00 179.01 178.40 3ab4 h ALA 118 N 1.48 0.68 -0.38 3.43 0.00 -0.99 -2.07 119.26 121.41 3ab4 h ALA 118 Ca 0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3ab4 h ALA 118 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 118 CO 0.02 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.62 3ab4 h LEU 119 N 0.83 0.76 -0.90 0.00 3.38 -1.44 -2.98 115.31 114.96 3ab4 h LEU 119 Ca 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ab4 h LEU 119 Cb 0.72 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3ab4 h LEU 119 CO 0.06 0.96 0.48 0.08 0.09 0.00 0.00 178.44 180.10 3ab4 h ARG 120 N 0.66 1.26 0.00 1.13 0.11 -1.15 -1.72 114.38 114.67 3ab4 h ARG 120 Ca 0.09 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.02 3ab4 h ARG 120 Cb 0.72 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3ab4 h ARG 120 CO 0.06 0.93 0.00 -0.25 0.10 0.00 0.00 179.97 180.80 3ab4 n ASP 121 N -4.32 0.65 -1.42 0.08 8.00 -0.80 -1.31 116.55 117.44 3ab4 n ASP 121 Ca 0.09 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.09 3ab4 n ASP 121 Cb 0.11 -0.76 0.18 0.00 -0.02 0.00 0.00 41.12 40.63 3ab4 n ASP 121 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ab4 n VAL 122 N -2.14 2.70 -4.40 2.53 3.14 -1.15 -5.00 118.33 114.01 3ab4 n VAL 122 Ca 0.05 -2.72 -0.41 0.00 -2.96 0.00 0.00 64.34 58.30 3ab4 n VAL 122 Cb 0.35 -0.41 -0.08 0.00 -1.06 0.00 0.00 33.84 32.64 3ab4 n VAL 122 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3ab4 n ASN 123 N -1.11 -1.75 -4.68 6.55 5.15 -0.42 -4.94 115.26 114.06 3ab4 n ASN 123 Ca 0.39 -1.17 -0.35 0.00 -0.60 0.00 0.00 54.58 52.86 3ab4 n ASN 123 Cb 1.12 -1.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.74 3ab4 n ASN 123 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ab4 s VAL 124 N -3.15 4.49 -0.09 3.44 -7.23 -0.66 -5.04 120.40 112.17 3ab4 s VAL 124 Ca 0.79 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.68 3ab4 s VAL 124 Cb -0.46 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 3ab4 s VAL 124 CO 0.97 0.57 0.28 0.21 -0.31 0.00 0.00 175.10 176.82 3ab4 s ASN 125 N -0.53 6.56 -0.24 4.85 2.47 -1.26 -4.23 114.94 122.56 3ab4 s ASN 125 Ca 0.10 0.66 -0.18 0.00 0.42 0.00 0.00 52.86 53.85 3ab4 s ASN 125 Cb -0.12 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.49 3ab4 s ASN 125 CO 0.02 0.30 0.53 -0.63 -3.72 0.00 0.00 177.10 173.60 3ab4 s ILE 126 N -0.65 5.07 -0.13 -5.21 1.01 -1.26 -4.73 121.20 115.30 3ab4 s ILE 126 Ca 0.18 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.78 3ab4 s ILE 126 Cb -0.14 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.24 3ab4 s ILE 126 CO 0.07 0.11 0.33 -0.62 0.00 0.00 0.00 174.94 174.83 3ab4 n GLU 127 N 5.32 0.71 -3.80 2.79 1.02 -0.79 -4.96 120.64 120.93 3ab4 n GLU 127 Ca -0.04 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 3ab4 n GLU 127 Cb 0.50 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3ab4 n GLU 127 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ab4 s LEU 128 N -6.63 1.08 0.02 -4.62 0.20 -1.05 -4.98 118.68 102.70 3ab4 s LEU 128 Ca -0.19 0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.91 3ab4 s LEU 128 Cb 0.07 0.95 -0.02 0.00 -0.43 0.00 0.00 46.19 46.77 3ab4 s LEU 128 CO 0.76 -0.25 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.82 3ab4 s ILE 129 N -0.60 0.93 -0.28 6.68 1.01 -1.26 -1.02 121.20 126.66 3ab4 s ILE 129 Ca -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3ab4 s ILE 129 Cb -0.04 -0.82 0.15 0.00 0.01 0.00 0.00 42.46 41.76 3ab4 s ILE 129 CO 0.02 0.09 0.57 -0.55 0.00 0.00 0.00 174.94 175.07 3ab4 s SER 130 N -0.73 -1.00 0.14 3.58 0.15 -0.57 -5.00 113.70 110.26 3ab4 s SER 130 Ca 0.02 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.79 3ab4 s SER 130 Cb -0.06 2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 66.22 3ab4 s SER 130 CO 0.00 -0.25 -0.09 0.42 1.20 0.00 0.00 173.24 174.53 3ab4 s THR 131 N 2.81 1.04 0.14 6.45 -4.23 -1.26 -1.35 115.64 119.25 3ab4 s THR 131 Ca 0.08 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3ab4 s THR 131 Cb -0.14 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 3ab4 s THR 131 CO -0.19 -0.77 0.15 -1.54 -0.54 0.00 0.00 174.62 171.74 3ab4 n SER 132 N -0.16 -0.40 0.24 3.99 3.41 0.70 -5.00 113.62 116.40 3ab4 n SER 132 Ca -0.11 -1.89 0.17 0.00 -0.26 0.00 0.00 58.87 56.78 3ab4 n SER 132 Cb 0.61 0.85 0.75 0.00 -0.26 0.00 0.00 64.21 66.16 3ab4 n SER 132 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ab4 h GLU 133 N 0.00 0.00 -0.03 4.33 5.08 -1.97 -3.13 114.58 118.86 3ab4 h GLU 133 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ab4 h GLU 133 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ab4 h GLU 133 CO 0.15 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.60 3ab4 n ILE 134 N -2.79 0.75 -3.64 3.13 -5.35 -1.26 -1.83 119.36 108.37 3ab4 n ILE 134 Ca -0.00 -0.88 -0.04 0.00 -0.27 0.00 0.00 62.75 61.56 3ab4 n ILE 134 Cb 0.20 0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 38.67 3ab4 n ILE 134 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 135 N -0.77 0.49 -0.44 6.28 3.52 -1.18 -2.32 118.95 124.53 3ab4 s ARG 135 Ca 0.02 0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 56.42 3ab4 s ARG 135 Cb 0.01 0.11 0.11 0.00 -1.56 0.00 0.00 34.95 33.62 3ab4 s ARG 135 CO 0.02 -0.10 0.26 0.42 -0.81 0.00 0.00 175.30 175.08 3ab4 s ILE 136 N 1.47 3.65 0.05 4.11 -1.09 -0.42 -0.21 121.20 128.75 3ab4 s ILE 136 Ca -0.09 -1.97 0.02 0.00 -2.23 0.00 0.00 60.65 56.38 3ab4 s ILE 136 Cb -0.04 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3ab4 s ILE 136 CO -0.17 -0.73 0.07 -0.44 -1.23 0.00 0.00 174.94 172.44 3ab4 s SER 137 N 2.14 5.51 0.04 3.58 0.01 -0.45 -1.43 113.70 123.09 3ab4 s SER 137 Ca 0.07 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 3ab4 s SER 137 Cb -0.24 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 3ab4 s SER 137 CO -0.03 0.21 -0.01 0.68 0.41 0.00 0.00 173.24 174.50 3ab4 s VAL 138 N -1.30 0.17 -0.09 3.43 -7.23 -0.36 -1.52 120.40 113.50 3ab4 s VAL 138 Ca 0.27 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3ab4 s VAL 138 Cb -0.12 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 3ab4 s VAL 138 CO 0.19 -0.78 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.37 3ab4 s LEU 139 N -2.35 3.17 0.32 1.32 1.43 -0.19 -2.05 118.68 120.33 3ab4 s LEU 139 Ca -0.02 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3ab4 s LEU 139 Cb 0.01 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3ab4 s LEU 139 CO -0.06 0.31 0.35 -0.63 0.23 0.00 0.00 176.35 176.55 3ab4 s ILE 140 N -0.51 0.00 0.32 -0.59 1.01 0.23 -1.89 121.20 119.77 3ab4 s ILE 140 Ca 0.08 -1.82 -0.29 0.00 0.00 0.00 0.00 60.65 58.61 3ab4 s ILE 140 Cb -0.12 -2.55 -0.12 0.00 0.01 0.00 0.00 42.46 39.68 3ab4 s ILE 140 CO 0.02 0.00 1.50 0.54 0.00 0.00 0.00 174.94 177.00 3ab4 n ARG 141 N -0.56 2.53 0.26 2.79 3.00 -1.26 0.71 116.66 124.12 3ab4 n ARG 141 Ca 0.04 0.89 0.09 0.00 -0.01 0.00 0.00 57.85 58.86 3ab4 n ARG 141 Cb 0.62 -2.62 0.65 0.00 0.00 0.00 0.00 32.46 31.11 3ab4 n ARG 141 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3ab4 h GLU 142 N 3.91 0.00 0.00 5.56 4.11 -1.70 -1.24 114.58 125.23 3ab4 h GLU 142 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3ab4 h GLU 142 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3ab4 h GLU 142 CO 0.72 0.06 0.00 -0.25 0.07 0.00 0.00 179.01 179.61 3ab4 n ASP 143 N -4.33 0.00 -1.07 3.06 8.00 -1.26 -1.55 116.55 119.40 3ab4 n ASP 143 Ca -0.03 -0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.56 3ab4 n ASP 143 Cb 0.14 -0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.14 3ab4 n ASP 143 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ab4 n ASP 144 N -1.27 3.27 -0.00 -2.24 10.43 -0.47 -4.56 116.55 121.71 3ab4 n ASP 144 Ca 0.09 -1.99 -0.11 0.00 2.57 0.00 0.00 54.79 55.35 3ab4 n ASP 144 Cb 0.15 -0.15 -0.06 0.00 1.84 0.00 0.00 41.12 42.90 3ab4 n ASP 144 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3ab4 h LEU 145 N 4.54 0.11 -0.54 0.64 5.85 -1.33 -1.46 115.31 123.10 3ab4 h LEU 145 Ca 0.00 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.72 3ab4 h LEU 145 Cb 0.99 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 3ab4 h LEU 145 CO 0.00 0.18 -0.00 0.44 -0.34 0.00 0.00 178.44 178.72 3ab4 h ASP 146 N 0.02 -0.24 0.66 1.25 3.32 -1.80 -1.25 116.42 118.38 3ab4 h ASP 146 Ca 0.03 0.13 -0.22 0.00 0.02 0.00 0.00 57.03 56.99 3ab4 h ASP 146 Cb 0.10 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3ab4 h ASP 146 CO -0.00 -0.09 -1.01 0.00 -1.72 0.00 0.00 179.24 176.41 3ab4 h ALA 147 N 1.49 0.35 -0.02 3.45 0.00 -1.83 -2.47 119.26 120.23 3ab4 h ALA 147 Ca 0.28 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ab4 h ALA 147 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ab4 h ALA 147 CO -0.46 0.99 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3ab4 h ALA 148 N 0.85 0.02 -0.33 0.00 0.00 -0.89 0.28 119.26 119.19 3ab4 h ALA 148 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ab4 h ALA 148 Cb 1.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3ab4 h ALA 148 CO 0.16 -0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.34 3ab4 h ALA 149 N 0.61 0.42 -0.52 0.00 0.00 -1.32 0.19 119.26 118.64 3ab4 h ALA 149 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ab4 h ALA 149 Cb 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ab4 h ALA 149 CO 0.00 -0.15 0.29 -0.09 0.00 0.00 0.00 179.25 179.30 3ab4 h ARG 150 N 0.41 0.54 -0.67 0.00 2.43 -1.48 -0.09 114.38 115.52 3ab4 h ARG 150 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3ab4 h ARG 150 Cb -0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3ab4 h ARG 150 CO -0.05 0.36 0.36 0.00 -1.51 0.00 0.00 179.97 179.12 3ab4 h ALA 151 N 1.26 1.37 0.04 2.80 0.00 -0.04 -2.36 119.26 122.32 3ab4 h ALA 151 Ca 0.22 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3ab4 h ALA 151 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ab4 h ALA 151 CO -0.13 0.51 -1.00 -0.07 0.00 0.00 0.00 179.25 178.56 3ab4 h LEU 152 N 0.93 0.33 -0.34 0.00 3.38 0.14 -2.12 115.31 117.64 3ab4 h LEU 152 Ca 0.24 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ab4 h LEU 152 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ab4 h LEU 152 CO -0.04 1.15 0.17 0.45 0.09 0.00 0.00 178.44 180.26 3ab4 h HIS 153 N 0.11 0.48 -0.13 1.13 3.86 -0.93 -2.60 115.15 117.07 3ab4 h HIS 153 Ca -0.07 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3ab4 h HIS 153 Cb 1.67 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.99 3ab4 h HIS 153 CO 0.04 0.41 -0.03 0.93 0.86 0.00 0.00 177.93 180.14 3ab4 h GLU 154 N 0.41 0.25 -0.35 2.45 5.08 -1.42 -0.69 114.58 120.31 3ab4 h GLU 154 Ca 0.12 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3ab4 h GLU 154 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3ab4 h GLU 154 CO -0.02 0.55 -0.14 0.37 -1.00 0.00 0.00 179.01 178.77 3ab4 h GLN 155 N -0.06 0.63 -0.57 2.33 5.75 -1.41 -2.68 115.11 119.10 3ab4 h GLN 155 Ca 0.03 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3ab4 h GLN 155 Cb 0.45 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3ab4 h GLN 155 CO 0.01 0.75 0.00 1.19 -2.65 0.00 0.00 178.83 178.13 3ab4 n PHE 156 N -4.17 1.80 -4.17 3.99 3.72 -0.98 -4.97 117.46 112.68 3ab4 n PHE 156 Ca 0.01 -0.70 -0.31 0.00 -0.05 0.00 0.00 57.45 56.40 3ab4 n PHE 156 Cb 0.36 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 3ab4 n PHE 156 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ab4 n GLN 157 N 0.68 -0.86 -4.50 -1.08 1.13 -0.77 -4.95 117.38 107.04 3ab4 n GLN 157 Ca 0.27 0.07 -0.26 0.00 -1.94 0.00 0.00 57.00 55.14 3ab4 n GLN 157 Cb 1.08 -3.17 -0.10 0.00 0.11 0.00 0.00 30.24 28.15 3ab4 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ab4 s LEU 158 N -7.10 2.86 0.00 1.08 1.43 -0.34 -5.04 118.68 111.57 3ab4 s LEU 158 Ca 0.06 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 3ab4 s LEU 158 Cb -0.03 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.13 3ab4 s LEU 158 CO 0.92 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.79