#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l4s n MET 2 N 0.00 2.22 -4.59 -2.82 0.00 -1.26 -3.63 117.12 107.04 1l4s n MET 2 Ca 0.00 0.81 -0.32 0.00 0.00 0.00 0.00 57.70 58.19 1l4s n MET 2 Cb 0.00 -2.66 -0.16 0.00 0.00 0.00 0.00 33.22 30.40 1l4s n MET 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1l4s s ASN 3 N 3.80 3.07 -0.13 6.12 3.04 -0.61 -4.98 114.94 125.25 1l4s s ASN 3 Ca 0.91 -0.60 0.03 0.00 0.04 0.00 0.00 52.86 53.24 1l4s s ASN 3 Cb -0.68 -1.43 0.01 0.00 -1.54 0.00 0.00 41.25 37.62 1l4s s ASN 3 CO 0.50 0.07 -0.22 -0.63 -3.04 0.00 0.00 177.10 173.77 1l4s s ILE 4 N 0.89 2.02 0.14 -5.21 1.01 -1.26 0.83 121.20 119.62 1l4s s ILE 4 Ca -0.05 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.67 1l4s s ILE 4 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1l4s s ILE 4 CO -0.03 0.54 -0.08 0.42 0.00 0.00 0.00 174.94 175.79 1l4s s THR 5 N 0.74 1.01 -0.24 2.92 -4.23 0.57 -4.91 115.64 111.50 1l4s s THR 5 Ca -0.09 -2.02 -0.26 0.00 -1.18 0.00 0.00 61.69 58.13 1l4s s THR 5 Cb -0.16 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 71.92 1l4s s THR 5 CO 0.00 -0.73 0.84 -0.94 -0.54 0.00 0.00 174.62 173.25 1l4s s SER 6 N -3.15 -0.61 -0.13 3.99 1.04 -1.26 -0.21 113.70 113.37 1l4s s SER 6 Ca 0.17 1.08 0.16 0.00 0.48 0.00 0.00 55.95 57.84 1l4s s SER 6 Cb 0.04 1.07 0.65 0.00 0.10 0.00 0.00 66.02 67.87 1l4s s SER 6 CO -0.00 -0.27 1.56 0.29 0.98 0.00 0.00 173.24 175.80 1l4s n LYS 7 N 2.16 3.67 -0.79 4.02 4.76 -1.24 -4.28 118.16 126.46 1l4s n LYS 7 Ca -0.14 -2.83 0.01 0.00 -2.87 0.00 0.00 58.31 52.48 1l4s n LYS 7 Cb 0.56 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1l4s n LYS 7 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1l4s n GLN 8 N 0.62 0.00 -3.18 1.97 6.02 -1.26 -5.10 117.38 116.46 1l4s n GLN 8 Ca 0.24 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1l4s n GLN 8 Cb 0.89 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.85 1l4s n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l4s n MET 9 N 0.14 -2.83 -4.49 -1.09 0.00 -1.26 -5.02 117.12 102.56 1l4s n MET 9 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.47 1l4s n MET 9 Cb 0.81 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.93 1l4s n MET 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1l4s s GLU 10 N -1.71 1.71 -0.29 3.17 2.12 -1.26 -4.62 118.70 117.82 1l4s s GLU 10 Ca 0.00 -1.84 -0.19 0.00 0.36 0.00 0.00 54.97 53.29 1l4s s GLU 10 Cb 0.00 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 1l4s s GLU 10 CO 0.00 0.19 0.58 0.42 -0.54 0.00 0.00 175.26 175.92 1l4s s ILE 11 N -2.65 4.99 0.23 -3.70 -1.09 -1.26 -5.05 121.20 112.66 1l4s s ILE 11 Ca 0.31 0.84 0.05 0.00 -2.23 0.00 0.00 60.65 59.62 1l4s s ILE 11 Cb 0.00 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1l4s s ILE 11 CO 0.15 -0.06 0.34 0.42 -1.23 0.00 0.00 174.94 174.56 1l4s s THR 12 N 2.49 5.24 -0.50 2.92 -4.23 -1.26 -4.97 115.64 115.33 1l4s s THR 12 Ca 0.23 -0.96 0.16 0.00 -1.18 0.00 0.00 61.69 59.95 1l4s s THR 12 Cb -0.15 -3.83 0.16 0.00 1.34 0.00 0.00 72.50 70.03 1l4s s THR 12 CO 0.11 -0.30 1.50 -2.65 -0.54 0.00 0.00 174.62 172.74 1l4s n PRO 13 N -1.28 0.11 0.00 3.99 -0.02 -1.26 -1.14 135.00 135.41 1l4s n PRO 13 Ca -0.09 0.54 -0.20 0.00 -2.02 0.00 0.00 63.50 61.74 1l4s n PRO 13 Cb 0.57 -1.80 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1l4s n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l4s n ALA 14 N -1.69 0.97 0.09 3.55 0.00 -1.26 -2.63 120.51 119.54 1l4s n ALA 14 Ca -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 1l4s n ALA 14 Cb 0.07 -0.71 0.10 0.00 0.00 0.00 0.00 19.45 18.91 1l4s n ALA 14 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1l4s h ILE 15 N 0.06 1.42 -0.12 0.00 2.04 -1.77 0.14 117.51 119.28 1l4s h ILE 15 Ca -0.40 -2.14 -0.08 0.00 1.00 0.00 0.00 64.86 63.23 1l4s h ILE 15 Cb 2.03 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 1l4s h ILE 15 CO 0.09 0.63 -0.25 0.08 0.00 0.00 0.00 178.15 178.70 1l4s h ARG 16 N 0.14 0.38 -0.33 2.37 0.11 -1.28 -2.59 114.38 113.18 1l4s h ARG 16 Ca -0.01 -0.25 -0.10 0.00 0.10 0.00 0.00 59.98 59.72 1l4s h ARG 16 Cb 1.19 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1l4s h ARG 16 CO 0.10 0.85 -0.20 0.37 0.10 0.00 0.00 179.97 181.19 1l4s h GLN 17 N -0.05 0.62 0.51 0.08 5.75 -1.45 0.45 115.11 121.02 1l4s h GLN 17 Ca 0.00 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1l4s h GLN 17 Cb 0.84 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 1l4s h GLN 17 CO 0.05 0.78 -0.30 1.25 -2.65 0.00 0.00 178.83 177.96 1l4s h HIS 18 N 0.55 -0.79 -0.43 3.99 2.76 -0.69 0.66 115.15 121.21 1l4s h HIS 18 Ca 0.09 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1l4s h HIS 18 Cb 0.65 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1l4s h HIS 18 CO 0.03 -0.45 0.24 0.28 -1.30 0.00 0.00 177.93 176.73 1l4s h VAL 19 N -0.75 1.15 -0.28 5.26 2.07 -1.47 -2.54 116.25 119.69 1l4s h VAL 19 Ca -0.07 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1l4s h VAL 19 Cb 0.59 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1l4s h VAL 19 CO 0.08 0.16 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 1l4s h ALA 20 N 1.09 0.24 -0.08 1.67 0.00 -0.02 -0.58 119.26 121.59 1l4s h ALA 20 Ca 0.15 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1l4s h ALA 20 Cb 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1l4s h ALA 20 CO -0.03 -0.42 0.06 0.38 0.00 0.00 0.00 179.25 179.25 1l4s h ASP 21 N 0.08 0.00 0.88 0.00 3.04 0.53 0.49 116.42 121.44 1l4s h ASP 21 Ca 0.13 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.80 1l4s h ASP 21 Cb 0.18 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.45 1l4s h ASP 21 CO -0.23 0.00 -0.59 0.03 -2.04 0.00 0.00 179.24 176.41 1l4s h ARG 22 N 0.00 0.00 -0.07 4.15 2.47 -0.72 -2.93 114.38 117.29 1l4s h ARG 22 Ca 0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1l4s h ARG 22 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1l4s h ARG 22 CO -0.00 0.59 -0.04 -0.07 0.56 0.00 0.00 179.97 181.01 1l4s h LEU 23 N 0.00 0.15 -2.37 3.04 3.38 0.15 -2.00 115.31 117.66 1l4s h LEU 23 Ca -0.01 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1l4s h LEU 23 Cb 1.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1l4s h LEU 23 CO 0.08 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1l4s h ALA 24 N 0.60 1.63 0.03 1.53 0.00 -1.46 -0.77 119.26 120.83 1l4s h ALA 24 Ca 0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1l4s h ALA 24 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1l4s h ALA 24 CO 0.01 -0.00 -1.01 -0.22 0.00 0.00 0.00 179.25 178.03 1l4s h LYS 25 N 0.00 0.12 -2.70 0.00 3.64 -1.31 -3.34 116.57 112.98 1l4s h LYS 25 Ca 0.00 -0.18 -0.54 0.00 -1.27 0.00 0.00 60.65 58.67 1l4s h LYS 25 Cb 0.01 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1l4s h LYS 25 CO -0.00 1.02 2.62 1.28 -2.27 0.00 0.00 179.45 182.11 1l4s n LEU 26 N -3.51 7.77 -0.54 5.20 4.77 -0.29 -4.25 117.00 126.14 1l4s n LEU 26 Ca -0.03 -4.05 0.10 0.00 -0.03 0.00 0.00 56.01 52.00 1l4s n LEU 26 Cb 0.91 -1.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 1l4s n LEU 26 CO 0.49 1.97 0.37 1.21 -1.33 0.00 0.00 177.39 180.10 1l4s n GLU 27 N 3.22 1.58 0.12 3.23 4.07 -1.26 -4.34 120.64 127.26 1l4s n GLU 27 Ca 0.68 -1.15 0.11 0.00 -0.06 0.00 0.00 57.16 56.74 1l4s n GLU 27 Cb 0.43 -1.37 0.48 0.00 -0.06 0.00 0.00 31.44 30.92 1l4s n GLU 27 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1l4s n LYS 28 N 0.30 0.15 -0.08 5.31 2.85 -1.26 -2.89 118.16 122.54 1l4s n LYS 28 Ca 0.09 0.47 -0.15 0.00 -1.05 0.00 0.00 58.31 57.67 1l4s n LYS 28 Cb 0.43 -1.85 -0.10 0.00 -0.65 0.00 0.00 35.03 32.86 1l4s n LYS 28 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 1l4s h TRP 29 N 0.00 0.00 -4.52 5.58 4.06 -1.95 -3.50 115.95 115.62 1l4s h TRP 29 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1l4s h TRP 29 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1l4s h TRP 29 CO 0.00 1.01 -0.11 0.94 -3.56 0.00 0.00 178.44 176.72 1l4s n GLN 30 N -4.55 -1.09 -3.52 0.49 7.27 -1.14 -5.08 117.38 109.75 1l4s n GLN 30 Ca -0.18 1.29 -0.18 0.00 0.07 0.00 0.00 57.00 58.00 1l4s n GLN 30 Cb 0.50 -4.26 -0.06 0.00 2.41 0.00 0.00 30.24 28.82 1l4s n GLN 30 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1l4s s THR 31 N -2.68 0.00 0.96 1.69 -1.32 -1.26 -5.16 115.64 107.87 1l4s s THR 31 Ca 0.05 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.41 1l4s s THR 31 Cb -0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.03 1l4s s THR 31 CO 0.49 0.00 0.46 1.41 -2.21 0.00 0.00 174.62 174.78 1l4s n HIS 32 N 0.96 -1.22 -2.69 9.09 8.25 -1.26 -4.99 115.22 123.36 1l4s n HIS 32 Ca -0.19 0.24 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1l4s n HIS 32 Cb 0.57 -1.79 0.10 0.00 1.12 0.00 0.00 29.99 29.99 1l4s n HIS 32 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1l4s n LEU 33 N -1.67 -1.13 -4.52 2.41 4.77 -1.26 -4.52 117.00 111.08 1l4s n LEU 33 Ca 0.07 -3.51 -0.24 0.00 -0.03 0.00 0.00 56.01 52.30 1l4s n LEU 33 Cb 0.54 0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.58 1l4s n LEU 33 CO 0.51 1.82 1.89 -0.38 -1.33 0.00 0.00 177.39 179.89 1l4s n ILE 34 N -0.49 -0.01 -3.04 -0.08 5.41 -1.24 -3.39 119.36 116.53 1l4s n ILE 34 Ca -0.00 -0.44 -0.11 0.00 1.00 0.00 0.00 62.75 63.19 1l4s n ILE 34 Cb 0.84 -0.81 0.01 0.00 -0.71 0.00 0.00 39.64 38.98 1l4s n ILE 34 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1l4s n ASN 35 N 10.50 -7.14 -4.73 4.38 4.13 -1.26 -4.70 115.26 116.43 1l4s n ASN 35 Ca 0.60 0.60 -0.40 0.00 1.68 0.00 0.00 54.58 57.06 1l4s n ASN 35 Cb 0.23 -3.76 -0.05 0.00 -1.54 0.00 0.00 39.78 34.66 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1l4s s PRO 36 N -1.99 4.44 -0.18 3.52 0.04 -1.22 -4.80 135.00 134.81 1l4s s PRO 36 Ca 0.16 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1l4s s PRO 36 Cb -0.03 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1l4s s PRO 36 CO 0.64 0.20 0.19 -1.58 0.04 0.00 0.00 177.00 176.49 1l4s s HIS 37 N 0.32 3.44 -0.07 0.56 2.46 -0.35 -1.57 115.29 120.07 1l4s s HIS 37 Ca 0.37 0.43 0.05 0.00 0.47 0.00 0.00 55.06 56.38 1l4s s HIS 37 Cb -0.19 -2.22 -0.00 0.00 -0.13 0.00 0.00 32.58 30.04 1l4s s HIS 37 CO 0.20 0.29 -0.23 0.42 -2.47 0.00 0.00 174.74 172.95 1l4s s ILE 38 N 0.34 1.90 0.10 0.89 -1.09 0.24 -0.45 121.20 123.14 1l4s s ILE 38 Ca 0.11 -0.95 0.10 0.00 -2.23 0.00 0.00 60.65 57.68 1l4s s ILE 38 Cb -0.12 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1l4s s ILE 38 CO 0.00 0.53 -0.27 -0.63 -1.23 0.00 0.00 174.94 173.34 1l4s s ILE 39 N 0.14 2.23 -0.11 2.92 1.01 0.15 -0.31 121.20 127.23 1l4s s ILE 39 Ca -0.11 -1.63 0.03 0.00 0.00 0.00 0.00 60.65 58.93 1l4s s ILE 39 Cb -0.15 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1l4s s ILE 39 CO 0.06 0.18 -0.18 -0.76 0.00 0.00 0.00 174.94 174.24 1l4s s LEU 40 N -1.78 1.88 0.00 2.97 1.43 0.71 -0.69 118.68 123.20 1l4s s LEU 40 Ca 0.13 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1l4s s LEU 40 Cb -0.10 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.92 1l4s s LEU 40 CO 0.05 0.07 0.01 -1.20 0.23 0.00 0.00 176.35 175.50 1l4s n SER 41 N 3.94 1.59 -3.61 2.29 7.64 0.19 -3.69 113.62 121.97 1l4s n SER 41 Ca -0.20 -1.18 -0.08 0.00 1.01 0.00 0.00 58.87 58.42 1l4s n SER 41 Cb 0.52 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1l4s n SER 41 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1l4s s LYS 42 N -2.14 0.45 0.22 1.43 2.20 -1.26 -2.32 119.74 118.32 1l4s s LYS 42 Ca 0.01 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 1l4s s LYS 42 Cb 0.00 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1l4s s LYS 42 CO 0.01 -0.10 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.64 1l4s s GLU 43 N -0.46 1.30 0.64 4.03 0.41 0.15 -4.94 118.70 119.83 1l4s s GLU 43 Ca 0.02 -1.63 0.22 0.00 -0.41 0.00 0.00 54.97 53.17 1l4s s GLU 43 Cb -0.03 -0.72 1.11 0.00 -1.78 0.00 0.00 34.13 32.71 1l4s s GLU 43 CO -0.04 -0.02 1.61 -1.00 -0.49 0.00 0.00 175.26 175.32 1l4s h PRO 44 N 2.52 0.00 0.00 0.39 0.13 -2.04 -2.63 132.00 130.37 1l4s h PRO 44 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1l4s h PRO 44 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1l4s h PRO 44 CO 0.64 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.35 1l4s n GLN 45 N -3.02 0.00 0.00 0.86 -0.06 -1.26 -5.09 117.38 108.81 1l4s n GLN 45 Ca 0.04 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 1l4s n GLN 45 Cb 0.74 -0.65 0.00 0.00 -4.06 0.00 0.00 30.24 26.27 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1l4s n GLY 46 N 2.21 4.86 3.72 1.69 0.00 -0.99 -4.94 105.19 111.74 1l4s n GLY 46 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1l4s n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l4s s PHE 47 N -0.72 3.05 -0.00 1.61 0.40 -0.91 0.31 117.98 121.71 1l4s s PHE 47 Ca 0.00 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1l4s s PHE 47 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 1l4s s PHE 47 CO 0.00 0.50 -0.20 0.08 0.70 0.00 0.00 175.22 176.30 1l4s s VAL 48 N -1.45 1.61 -0.07 -0.44 1.01 -0.98 -2.60 120.40 117.47 1l4s s VAL 48 Ca 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1l4s s VAL 48 Cb -0.11 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1l4s s VAL 48 CO 0.20 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.65 1l4s s ALA 49 N -0.54 0.98 0.10 5.51 0.00 0.14 0.53 121.76 128.49 1l4s s ALA 49 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.85 1l4s s ALA 49 Cb -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1l4s s ALA 49 CO -0.00 -0.19 -0.22 -0.51 0.00 0.00 0.00 175.76 174.84 1l4s s ASP 50 N 1.29 3.63 -0.05 0.00 1.01 0.13 0.16 116.67 122.85 1l4s s ASP 50 Ca -0.04 -0.60 -0.06 0.00 0.71 0.00 0.00 52.55 52.56 1l4s s ASP 50 Cb -0.14 -0.43 0.01 0.00 1.01 0.00 0.00 42.92 43.37 1l4s s ASP 50 CO -0.03 0.20 0.16 0.00 0.21 0.00 0.00 175.17 175.71 1l4s s ALA 51 N -1.05 -0.38 -0.03 5.23 0.00 -0.45 0.33 121.76 125.40 1l4s s ALA 51 Ca 0.16 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1l4s s ALA 51 Cb -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1l4s s ALA 51 CO 0.07 -0.11 -0.04 0.99 0.00 0.00 0.00 175.76 176.67 1l4s s THR 52 N -0.29 0.45 -0.01 0.00 2.01 0.41 -2.16 115.64 116.04 1l4s s THR 52 Ca -0.04 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1l4s s THR 52 Cb -0.03 -0.47 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1l4s s THR 52 CO 0.01 0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.42 1l4s s ILE 53 N 0.77 0.68 -0.28 1.82 1.01 -0.64 -1.22 121.20 123.33 1l4s s ILE 53 Ca -0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1l4s s ILE 53 Cb -0.13 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1l4s s ILE 53 CO -0.00 0.20 0.15 0.20 0.00 0.00 0.00 174.94 175.49 1l4s s ASN 54 N -0.08 5.71 0.30 3.58 -0.87 -1.26 -1.75 114.94 120.57 1l4s s ASN 54 Ca 0.02 -0.16 0.09 0.00 -1.57 0.00 0.00 52.86 51.24 1l4s s ASN 54 Cb -0.05 -2.05 -0.05 0.00 -0.02 0.00 0.00 41.25 39.09 1l4s s ASN 54 CO -0.00 -0.08 0.02 0.42 -2.57 0.00 0.00 177.10 174.90 1l4s s THR 55 N 1.70 3.10 -1.68 1.60 -4.23 -0.28 -3.68 115.64 112.16 1l4s s THR 55 Ca 0.06 -1.91 0.25 0.00 -1.18 0.00 0.00 61.69 58.92 1l4s s THR 55 Cb -0.16 -2.83 0.57 0.00 1.34 0.00 0.00 72.50 71.41 1l4s s THR 55 CO 0.08 -0.29 1.86 -0.81 -0.54 0.00 0.00 174.62 174.92 1l4s n PRO 56 N -0.95 0.55 -0.54 3.99 -0.04 -1.26 -3.05 135.00 133.70 1l4s n PRO 56 Ca -0.05 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1l4s n PRO 56 Cb 0.60 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 1l4s n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l4s n ASN 57 N -1.16 1.27 0.00 3.54 4.13 -1.26 -5.11 115.26 116.67 1l4s n ASN 57 Ca 0.15 -2.71 0.00 0.00 1.68 0.00 0.00 54.58 53.70 1l4s n ASN 57 Cb 0.15 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1l4s n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l4s n GLY 58 N -0.61 0.95 3.13 7.41 0.00 -1.17 -5.12 105.19 109.78 1l4s n GLY 58 Ca 0.10 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 1l4s n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l4s s VAL 59 N -2.28 0.98 0.01 1.61 1.01 -1.26 -1.13 120.40 119.34 1l4s s VAL 59 Ca 0.00 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.01 1l4s s VAL 59 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1l4s s VAL 59 CO 0.00 -0.12 -0.25 -0.76 0.00 0.00 0.00 175.10 173.97 1l4s s LEU 60 N -1.32 2.10 -0.02 3.92 1.43 -0.71 -4.99 118.68 119.09 1l4s s LEU 60 Ca -0.01 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1l4s s LEU 60 Cb -0.08 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1l4s s LEU 60 CO 0.01 0.28 0.04 -0.69 0.23 0.00 0.00 176.35 176.23 1l4s s VAL 61 N -0.69 -0.00 0.11 -1.59 1.01 -1.26 -1.63 120.40 116.35 1l4s s VAL 61 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 1l4s s VAL 61 Cb -0.10 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1l4s s VAL 61 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 175.10 175.44 1l4s s ALA 62 N 0.03 -0.71 0.04 5.51 0.00 -0.92 -4.87 121.76 120.84 1l4s s ALA 62 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1l4s s ALA 62 Cb -0.00 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 1l4s s ALA 62 CO 0.00 -0.58 0.16 -1.54 0.00 0.00 0.00 175.76 173.80 1l4s s SER 63 N -2.75 0.09 -0.26 0.00 1.04 -1.26 -1.34 113.70 109.22 1l4s s SER 63 Ca 0.03 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1l4s s SER 63 Cb 0.03 0.27 0.13 0.00 0.10 0.00 0.00 66.02 66.54 1l4s s SER 63 CO -0.11 -0.54 0.31 -0.83 0.98 0.00 0.00 173.24 173.05 1l4s s GLY 64 N -2.11 -0.23 -0.64 7.32 0.00 0.12 -4.35 107.32 107.43 1l4s s GLY 64 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1l4s s GLY 64 CO -0.04 2.58 1.77 0.28 0.00 0.00 0.00 173.10 177.69 1l4s n LYS 65 N 5.33 2.96 -2.09 2.90 5.02 -1.26 0.26 118.16 131.29 1l4s n LYS 65 Ca -0.03 -3.68 -0.32 0.00 -2.02 0.00 0.00 58.31 52.26 1l4s n LYS 65 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1l4s s HIS 66 N -3.84 3.20 0.52 2.13 2.46 -1.07 -4.70 115.29 113.99 1l4s s HIS 66 Ca 0.56 1.47 0.25 0.00 0.47 0.00 0.00 55.06 57.81 1l4s s HIS 66 Cb 0.45 -2.90 1.56 0.00 -0.13 0.00 0.00 32.58 31.57 1l4s s HIS 66 CO -0.17 -0.86 2.17 0.93 -2.47 0.00 0.00 174.74 174.34 1l4s h GLU 67 N 0.39 0.00 -5.14 2.88 5.08 -1.92 -2.41 114.58 113.46 1l4s h GLU 67 Ca -0.46 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.28 1l4s h GLU 67 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1l4s h GLU 67 CO 0.59 0.05 -0.37 0.34 -1.00 0.00 0.00 179.01 178.62 1l4s s ASP 68 N -6.38 6.20 0.21 1.42 -1.08 -1.26 -3.90 116.67 111.87 1l4s s ASP 68 Ca -0.04 0.22 -0.14 0.00 -0.52 0.00 0.00 52.55 52.07 1l4s s ASP 68 Cb 0.15 -2.16 0.23 0.00 -1.46 0.00 0.00 42.92 39.68 1l4s s ASP 68 CO 0.59 -0.06 1.63 -0.03 0.52 0.00 0.00 175.17 177.82 1l4s h MET 69 N 7.85 0.00 -0.46 4.34 1.85 -1.89 0.01 114.93 126.63 1l4s h MET 69 Ca -0.35 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.65 1l4s h MET 69 Cb 1.17 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 1l4s h MET 69 CO 0.64 0.00 -0.08 1.88 -0.40 0.00 0.00 176.91 178.96 1l4s h TYR 70 N 0.00 0.88 -0.62 1.39 0.05 -1.95 -2.55 116.97 114.18 1l4s h TYR 70 Ca 0.30 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 1l4s h TYR 70 Cb 0.46 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1l4s h TYR 70 CO -0.50 0.85 0.18 1.15 -1.05 0.00 0.00 178.16 178.79 1l4s h THR 71 N 0.74 1.25 -0.19 -2.88 2.02 -1.50 -0.54 112.91 111.81 1l4s h THR 71 Ca 0.13 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1l4s h THR 71 Cb 0.56 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1l4s h THR 71 CO 0.03 0.33 0.10 0.00 0.37 0.00 0.00 175.52 176.35 1l4s h ALA 72 N 1.06 0.24 -0.19 6.16 0.00 -0.91 0.40 119.26 126.02 1l4s h ALA 72 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1l4s h ALA 72 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1l4s h ALA 72 CO -0.00 -0.22 0.12 0.82 0.00 0.00 0.00 179.25 179.97 1l4s h ILE 73 N 0.19 1.06 -0.74 0.00 2.04 -1.29 0.17 117.51 118.94 1l4s h ILE 73 Ca 0.07 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1l4s h ILE 73 Cb 0.08 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1l4s h ILE 73 CO -0.01 0.05 0.22 -1.13 0.00 0.00 0.00 178.15 177.29 1l4s h ASN 74 N 0.25 1.08 -0.39 1.72 -1.24 -0.93 -2.53 115.58 113.54 1l4s h ASN 74 Ca 0.07 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.83 1l4s h ASN 74 Cb -0.02 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1l4s h ASN 74 CO -0.01 1.00 0.07 -0.33 -1.29 0.00 0.00 177.43 176.86 1l4s h GLU 75 N 1.10 0.64 0.26 6.67 5.08 0.16 -1.66 114.58 126.82 1l4s h GLU 75 Ca 0.24 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1l4s h GLU 75 Cb 0.32 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1l4s h GLU 75 CO -0.01 0.69 -0.41 1.25 -1.00 0.00 0.00 179.01 179.53 1l4s h LEU 76 N 0.49 -1.17 -1.91 1.33 6.46 -0.46 -0.31 115.31 119.73 1l4s h LEU 76 Ca 0.12 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 58.09 1l4s h LEU 76 Cb 0.36 0.42 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1l4s h LEU 76 CO 0.01 -0.52 0.28 0.40 -0.62 0.00 0.00 178.44 177.98 1l4s h ILE 77 N -0.74 0.85 -0.71 4.05 2.04 -1.43 0.26 117.51 121.83 1l4s h ILE 77 Ca -0.01 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1l4s h ILE 77 Cb 0.71 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1l4s h ILE 77 CO -0.15 0.02 0.47 -1.13 0.00 0.00 0.00 178.15 177.35 1l4s h ASN 78 N 0.10 0.72 0.93 1.72 -1.24 -0.08 0.39 115.58 118.12 1l4s h ASN 78 Ca 0.19 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.06 1l4s h ASN 78 Cb 0.61 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1l4s h ASN 78 CO -0.02 0.49 -0.63 0.11 -1.29 0.00 0.00 177.43 176.10 1l4s h LYS 79 N 0.84 0.00 -0.03 6.67 6.56 0.29 0.21 116.57 131.10 1l4s h LYS 79 Ca 0.29 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1l4s h LYS 79 Cb 0.09 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1l4s h LYS 79 CO -0.08 0.63 0.01 -0.07 -2.06 0.00 0.00 179.45 177.88 1l4s h LEU 80 N 0.00 0.05 -0.33 2.94 3.38 -0.26 0.49 115.31 121.58 1l4s h LEU 80 Ca -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1l4s h LEU 80 Cb 1.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1l4s h LEU 80 CO 0.08 0.17 0.15 -0.08 0.09 0.00 0.00 178.44 178.85 1l4s h GLU 81 N -0.09 0.47 -0.63 1.13 4.81 -1.19 0.19 114.58 119.28 1l4s h GLU 81 Ca 0.01 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1l4s h GLU 81 Cb 0.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1l4s h GLU 81 CO -0.00 0.45 0.25 -0.09 -0.73 0.00 0.00 179.01 178.89 1l4s h ARG 82 N 0.39 0.92 -0.01 1.92 9.65 -0.72 -1.82 114.38 124.71 1l4s h ARG 82 Ca 0.11 -0.15 -0.24 0.00 -1.10 0.00 0.00 59.98 58.60 1l4s h ARG 82 Cb 0.14 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1l4s h ARG 82 CO -0.01 0.76 -0.97 1.96 2.80 0.00 0.00 179.97 184.50 1l4s h GLN 83 N 0.91 0.55 0.00 0.20 4.20 0.24 -3.12 115.11 118.09 1l4s h GLN 83 Ca 0.21 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 1l4s h GLN 83 Cb 0.18 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1l4s h GLN 83 CO -0.02 1.20 -0.11 -0.07 -0.67 0.00 0.00 178.83 179.16 1l4s h LEU 84 N 0.32 0.00 -1.74 1.46 3.38 -0.31 -1.65 115.31 116.76 1l4s h LEU 84 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1l4s h LEU 84 Cb 1.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1l4s h LEU 84 CO 0.18 0.11 -0.17 -1.13 0.09 0.00 0.00 178.44 177.53 1l4s h ASN 85 N 0.00 0.00 1.12 -0.43 -1.24 -1.27 -1.49 115.58 112.26 1l4s h ASN 85 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1l4s h ASN 85 Cb 0.30 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 1l4s h ASN 85 CO 0.01 0.17 -0.15 0.11 -1.29 0.00 0.00 177.43 176.28 1l4s h LYS 86 N 0.00 0.00 0.22 6.67 1.79 -1.41 -1.96 116.57 121.88 1l4s h LYS 86 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1l4s h LYS 86 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1l4s h LYS 86 CO 0.02 0.15 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.36 1l4s h LEU 87 N 0.00 -0.25 0.00 2.94 3.38 -1.35 -3.06 115.31 116.97 1l4s h LEU 87 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1l4s h LEU 87 Cb 0.75 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1l4s h LEU 87 CO 0.02 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1l4s n GLN 88 N -5.04 0.10 -1.38 1.13 6.02 -1.22 -5.01 117.38 111.98 1l4s n GLN 88 Ca -0.09 0.06 0.18 0.00 -0.01 0.00 0.00 57.00 57.15 1l4s n GLN 88 Cb 0.26 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 1l4s n GLN 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1l4s n HIS 89 N -1.44 -3.45 0.00 1.08 8.25 -0.74 -5.01 115.22 113.91 1l4s n HIS 89 Ca 0.08 1.74 0.00 0.00 -0.26 0.00 0.00 57.72 59.28 1l4s n HIS 89 Cb 0.27 -3.14 0.00 0.00 1.12 0.00 0.00 29.99 28.24 1l4s n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1l4s n LYS 90 N -4.07 0.00 -0.02 -0.41 4.76 -1.26 -4.90 118.16 112.26 1l4s n LYS 90 Ca -0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1l4s n LYS 90 Cb 0.66 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.82 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1l4s n GLY 91 N -1.11 -0.20 3.25 0.72 0.00 -1.26 -5.02 105.19 101.57 1l4s n GLY 91 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1l4s n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l4s s GLU 92 N -2.12 2.30 -0.16 1.61 -1.05 -1.26 -5.12 118.70 112.89 1l4s s GLU 92 Ca -0.04 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 1l4s s GLU 92 Cb 0.02 -2.01 0.14 0.00 -0.44 0.00 0.00 34.13 31.83 1l4s s GLU 92 CO 0.18 0.40 1.07 0.00 0.95 0.00 0.00 175.26 177.87 1l4s s ALA 93 N -0.25 -1.97 -0.18 -0.84 0.00 -1.26 -4.78 121.76 112.48 1l4s s ALA 93 Ca -0.00 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 1l4s s ALA 93 Cb -0.12 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.44 1l4s s ALA 93 CO 0.02 -0.39 0.51 -0.98 0.00 0.00 0.00 175.76 174.92 1l4s s ARG 94 N -1.55 0.61 0.05 0.00 1.70 -1.26 -5.16 118.95 113.34 1l4s s ARG 94 Ca 0.02 0.67 -0.10 0.00 -0.47 0.00 0.00 55.73 55.85 1l4s s ARG 94 Cb -0.01 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 1l4s s ARG 94 CO -0.02 -0.08 0.38 1.03 -1.08 0.00 0.00 175.30 175.53 1l4s s ARG 95 N 0.18 3.76 0.56 3.89 0.52 -1.26 -5.10 118.95 121.50 1l4s s ARG 95 Ca -0.01 0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1l4s s ARG 95 Cb -0.03 -3.05 0.11 0.00 0.52 0.00 0.00 34.95 32.49 1l4s s ARG 95 CO 0.01 0.60 0.77 0.00 0.02 0.00 0.00 175.30 176.70 1l4s n ALA 96 N 1.13 0.26 -3.24 2.13 0.00 -1.26 -5.14 120.51 114.39 1l4s n ALA 96 Ca -0.10 -1.56 -0.13 0.00 0.00 0.00 0.00 53.44 51.65 1l4s n ALA 96 Cb 0.52 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 1l4s n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l4s s ALA 97 N -3.02 -1.20 0.08 0.00 0.00 -1.26 -5.09 121.76 111.26 1l4s s ALA 97 Ca 0.52 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1l4s s ALA 97 Cb -0.03 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1l4s s ALA 97 CO 0.34 -0.50 0.00 0.25 0.00 0.00 0.00 175.76 175.85 1l4s n THR 98 N 0.40 0.00 -1.78 0.00 -2.24 -1.26 -5.16 114.28 104.24 1l4s n THR 98 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1l4s n THR 98 Cb 0.60 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1l4s n THR 98 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1l4s n SER 99 N -2.68 -8.30 -0.19 3.42 7.64 -1.26 -4.97 113.62 107.27 1l4s n SER 99 Ca 0.00 1.20 0.03 0.00 1.01 0.00 0.00 58.87 61.11 1l4s n SER 99 Cb 0.00 -4.47 0.04 0.00 -1.01 0.00 0.00 64.21 58.77 1l4s n SER 99 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1l4s n VAL 100 N 1.16 0.74 -2.33 0.44 3.14 -1.26 -5.09 118.33 115.13 1l4s n VAL 100 Ca 0.00 -0.86 0.00 0.00 -2.96 0.00 0.00 64.34 60.52 1l4s n VAL 100 Cb 0.00 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 1l4s n VAL 100 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1l4s n LYS 101 N -0.52 -5.37 -3.20 1.45 4.76 -1.26 -5.06 118.16 108.96 1l4s n LYS 101 Ca 0.05 3.87 0.00 0.00 -2.87 0.00 0.00 58.31 59.36 1l4s n LYS 101 Cb 0.57 -4.74 -0.03 0.00 -1.84 0.00 0.00 35.03 28.99 1l4s n LYS 101 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1l4s s ASP 102 N -0.60 -0.95 0.04 4.39 2.15 -1.26 -5.03 116.67 115.41 1l4s s ASP 102 Ca 0.00 0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1l4s s ASP 102 Cb 0.00 1.83 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 1l4s s ASP 102 CO 0.00 -0.29 0.00 0.00 -0.17 0.00 0.00 175.17 174.71 1l4s n ALA 103 N 5.41 3.00 -0.38 3.66 0.00 -1.26 -5.12 120.51 125.82 1l4s n ALA 103 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1l4s n ALA 103 Cb 0.51 0.03 0.28 0.00 0.00 0.00 0.00 19.45 20.27 1l4s n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l4s s ASN 104 N -5.01 -0.20 0.32 0.00 2.20 -1.26 -5.06 114.94 105.93 1l4s s ASN 104 Ca 0.00 1.26 -0.12 0.00 -0.94 0.00 0.00 52.86 53.07 1l4s s ASN 104 Cb 0.00 -1.91 0.05 0.00 -2.00 0.00 0.00 41.25 37.39 1l4s s ASN 104 CO 0.00 -4.89 0.63 0.49 -2.94 0.00 0.00 177.10 170.39 1l4s n PHE 105 N -5.36 -2.08 -4.26 1.54 3.72 -1.26 -4.97 117.46 104.79 1l4s n PHE 105 Ca 0.06 -1.51 -0.33 0.00 -0.05 0.00 0.00 57.45 55.62 1l4s n PHE 105 Cb 0.56 0.74 -0.06 0.00 -0.94 0.00 0.00 39.48 39.78 1l4s n PHE 105 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1l4s n VAL 106 N -0.43 -1.29 0.18 -4.37 3.14 -1.26 -4.79 118.33 109.50 1l4s n VAL 106 Ca -0.07 -0.28 0.13 0.00 -2.96 0.00 0.00 64.34 61.16 1l4s n VAL 106 Cb 0.48 -1.45 0.69 0.00 -1.06 0.00 0.00 33.84 32.50 1l4s n VAL 106 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1l4s h GLU 107 N -1.54 0.00 -7.14 1.45 5.08 -2.04 -3.43 114.58 106.96 1l4s h GLU 107 Ca -0.62 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.29 1l4s h GLU 107 Cb 1.39 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.85 1l4s h GLU 107 CO 0.75 0.00 0.01 -1.21 -1.00 0.00 0.00 179.01 177.56 1l4s s GLU 108 N -4.99 -0.92 -0.15 2.33 0.41 -1.26 -5.06 118.70 109.07 1l4s s GLU 108 Ca -0.05 0.91 -0.12 0.00 -0.41 0.00 0.00 54.97 55.30 1l4s s GLU 108 Cb 0.18 -1.55 0.04 0.00 -1.78 0.00 0.00 34.13 31.02 1l4s s GLU 108 CO 0.67 -3.74 0.39 0.54 -0.49 0.00 0.00 175.26 172.63 1l4s s VAL 109 N -2.44 -0.01 0.02 2.63 0.11 -1.26 -5.07 120.40 114.38 1l4s s VAL 109 Ca 0.69 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1l4s s VAL 109 Cb -0.25 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1l4s s VAL 109 CO 0.65 0.01 0.01 1.21 -3.33 0.00 0.00 175.10 173.64 1l4s n GLU 110 N 3.29 -5.10 -4.34 1.54 0.00 -1.26 -5.07 120.64 109.69 1l4s n GLU 110 Ca -0.16 3.71 -0.17 0.00 0.00 0.00 0.00 57.16 60.54 1l4s n GLU 110 Cb 0.57 -4.66 -0.10 0.00 0.00 0.00 0.00 31.44 27.24 1l4s n GLU 110 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1l4s s GLU 111 N -0.66 1.41 0.00 5.31 2.02 -1.26 -5.29 118.70 120.24 1l4s s GLU 111 Ca -0.01 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1l4s s GLU 111 Cb 0.00 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1l4s s GLU 111 CO 0.02 -0.20 0.07 0.39 0.02 0.00 0.00 175.26 175.55