#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k62 n PHE 2 N 0.00 0.00 -1.71 0.00 7.35 -1.26 -4.95 117.46 116.89 2k62 n PHE 2 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 2k62 n PHE 2 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 2k62 n PHE 2 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k62 n SER 3 N -0.65 3.23 0.00 -2.13 7.64 -1.26 -4.90 113.62 115.55 2k62 n SER 3 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2k62 n SER 3 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 2k62 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k62 n GLY 4 N 1.79 -2.18 3.19 0.23 0.00 -0.51 -4.99 105.19 102.71 2k62 n GLY 4 Ca 0.08 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2k62 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k62 s THR 5 N -2.19 2.51 0.08 2.61 2.01 -1.26 -0.62 115.64 118.78 2k62 s THR 5 Ca 0.00 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.30 2k62 s THR 5 Cb 0.00 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2k62 s THR 5 CO 0.00 0.50 -0.23 0.26 -0.69 0.00 0.00 174.62 174.47 2k62 s TRP 6 N 1.29 2.42 -0.33 4.92 0.52 -0.04 -4.40 118.94 123.33 2k62 s TRP 6 Ca 0.04 -0.33 -0.11 0.00 0.02 0.00 0.00 56.10 55.72 2k62 s TRP 6 Cb -0.14 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2k62 s TRP 6 CO -0.09 0.26 0.19 -1.14 0.02 0.00 0.00 176.95 176.20 2k62 s GLN 7 N -1.66 3.37 -0.34 4.98 2.00 0.28 -1.50 119.66 126.79 2k62 s GLN 7 Ca 0.14 -0.71 -0.15 0.00 -2.00 0.00 0.00 55.36 52.64 2k62 s GLN 7 Cb -0.10 -3.68 -0.01 0.00 0.80 0.00 0.00 33.01 30.02 2k62 s GLN 7 CO 0.05 -0.45 0.36 0.14 -0.50 0.00 0.00 175.29 174.89 2k62 s VAL 8 N 1.66 5.17 -0.13 1.34 -7.23 -1.26 -0.40 120.40 119.55 2k62 s VAL 8 Ca 0.05 0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 2k62 s VAL 8 Cb -0.17 -3.82 0.05 0.00 0.56 0.00 0.00 36.38 32.99 2k62 s VAL 8 CO 0.08 -0.10 0.04 -0.72 -0.31 0.00 0.00 175.10 174.09 2k62 s TYR 9 N 2.00 0.61 -0.09 2.82 1.13 -0.71 -4.62 117.35 118.49 2k62 s TYR 9 Ca 0.11 -0.37 -0.30 0.00 -1.41 0.00 0.00 57.07 55.10 2k62 s TYR 9 Cb -0.17 -0.81 0.11 0.00 -1.10 0.00 0.00 41.96 39.99 2k62 s TYR 9 CO 0.12 -0.44 0.92 0.00 -2.51 0.00 0.00 175.55 173.64 2k62 s ALA 10 N 1.99 -1.87 0.00 9.51 0.00 -1.26 -4.28 121.76 125.85 2k62 s ALA 10 Ca 0.02 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2k62 s ALA 10 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2k62 s ALA 10 CO -0.07 -0.47 0.25 1.04 0.00 0.00 0.00 175.76 176.52 2k62 n GLN 11 N 0.36 -0.04 -1.61 0.00 1.13 -1.26 -4.98 117.38 110.97 2k62 n GLN 11 Ca -0.10 -0.28 -0.44 0.00 -1.94 0.00 0.00 57.00 54.24 2k62 n GLN 11 Cb 0.59 -0.64 -0.03 0.00 0.11 0.00 0.00 30.24 30.27 2k62 n GLN 11 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2k62 n GLU 12 N -0.03 2.16 -2.02 -1.09 -0.58 -1.26 -1.87 120.64 115.94 2k62 n GLU 12 Ca 0.00 0.67 -0.18 0.00 -0.42 0.00 0.00 57.16 57.23 2k62 n GLU 12 Cb 0.23 -3.09 -0.04 0.00 -0.57 0.00 0.00 31.44 27.97 2k62 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2k62 n ASN 13 N 10.18 -5.31 0.30 1.62 3.02 -1.26 -4.43 115.26 119.39 2k62 n ASN 13 Ca 0.28 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.88 2k62 n ASN 13 Cb 0.41 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 2k62 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2k62 h TYR 14 N 0.00 -0.73 0.00 3.10 5.03 -1.75 -2.98 116.97 119.64 2k62 h TYR 14 Ca -0.41 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.88 2k62 h TYR 14 Cb 1.28 0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.80 2k62 h TYR 14 CO 0.50 -0.45 0.00 1.05 -1.32 0.00 0.00 178.16 177.94 2k62 h GLU 15 N -0.77 0.00 -0.56 1.82 4.11 -1.92 -3.05 114.58 114.21 2k62 h GLU 15 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2k62 h GLU 15 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2k62 h GLU 15 CO 0.12 0.00 0.36 1.49 0.07 0.00 0.00 179.01 181.06 2k62 h GLU 16 N 0.00 0.74 0.00 1.06 4.57 -1.92 -2.86 114.58 116.17 2k62 h GLU 16 Ca 0.00 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 57.90 2k62 h GLU 16 Cb 0.35 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2k62 h GLU 16 CO 0.00 0.50 -1.30 0.35 -1.18 0.00 0.00 179.01 177.38 2k62 h PHE 17 N 0.76 0.00 -0.97 0.92 3.57 -1.54 -3.35 116.94 116.33 2k62 h PHE 17 Ca 0.20 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.83 2k62 h PHE 17 Cb -0.07 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 2k62 h PHE 17 CO -0.03 0.90 0.59 -0.07 -2.23 0.00 0.00 178.31 177.47 2k62 h LEU 18 N 0.00 0.86 0.00 0.59 3.38 -1.42 0.27 115.31 118.99 2k62 h LEU 18 Ca -0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k62 h LEU 18 Cb 1.81 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2k62 h LEU 18 CO 0.09 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.36 2k62 n LYS 19 N -4.66 0.38 -0.31 1.13 5.02 -1.12 -2.48 118.16 116.13 2k62 n LYS 19 Ca 0.18 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.62 2k62 n LYS 19 Cb 0.36 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.03 2k62 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k62 n ALA 20 N -1.14 2.84 -2.00 7.82 0.00 0.08 -4.89 120.51 123.22 2k62 n ALA 20 Ca 0.10 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.65 2k62 n ALA 20 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2k62 n ALA 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k62 n LEU 21 N -1.27 0.00 -0.61 0.00 7.94 -1.03 -4.72 117.00 117.30 2k62 n LEU 21 Ca 0.17 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.13 2k62 n LEU 21 Cb 0.67 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.77 2k62 n LEU 21 CO -0.01 0.00 0.35 0.00 -1.11 0.00 0.00 177.39 176.62 2k62 n ALA 22 N -3.00 3.03 -3.73 1.96 0.00 -1.26 -4.99 120.51 112.52 2k62 n ALA 22 Ca 0.00 -2.85 -0.35 0.00 0.00 0.00 0.00 53.44 50.25 2k62 n ALA 22 Cb 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 2k62 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k62 s LEU 23 N -2.42 4.44 0.00 0.00 1.02 -1.11 -4.96 118.68 115.65 2k62 s LEU 23 Ca 0.33 -1.62 0.00 0.00 0.02 0.00 0.00 54.13 52.86 2k62 s LEU 23 Cb 0.33 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.80 2k62 s LEU 23 CO -0.06 -0.37 1.65 -2.65 0.02 0.00 0.00 176.35 174.95 2k62 n PRO 24 N 4.57 0.85 0.00 1.29 -0.02 -1.26 -4.29 135.00 136.15 2k62 n PRO 24 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2k62 n PRO 24 Cb 0.42 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2k62 n PRO 24 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k62 n GLU 25 N 1.52 0.00 -0.28 -0.52 1.02 -1.26 -4.61 120.64 116.51 2k62 n GLU 25 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2k62 n GLU 25 Cb 0.43 -0.09 0.26 0.00 -0.02 0.00 0.00 31.44 32.01 2k62 n GLU 25 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k62 h ASP 26 N 0.00 0.87 0.00 1.62 1.82 -2.00 -0.95 116.42 117.78 2k62 h ASP 26 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k62 h ASP 26 Cb 0.00 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.82 2k62 h ASP 26 CO 0.00 0.57 0.00 0.18 -1.61 0.00 0.00 179.24 178.38 2k62 n LEU 27 N -4.48 0.00 -0.19 2.28 4.77 -1.26 -3.69 117.00 114.43 2k62 n LEU 27 Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 2k62 n LEU 27 Cb 0.18 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2k62 n LEU 27 CO 0.33 0.00 0.92 0.40 -1.33 0.00 0.00 177.39 177.72 2k62 h ILE 28 N 0.00 1.23 0.00 -0.08 2.04 -1.53 -1.74 117.51 117.42 2k62 h ILE 28 Ca 0.00 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2k62 h ILE 28 Cb 0.00 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2k62 h ILE 28 CO 0.00 0.29 -0.14 0.11 0.00 0.00 0.00 178.15 178.41 2k62 h LYS 29 N 0.73 0.00 -0.04 2.37 1.79 -1.76 -1.49 116.57 118.16 2k62 h LYS 29 Ca 0.17 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.54 2k62 h LYS 29 Cb 0.28 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2k62 h LYS 29 CO -0.00 0.14 -0.36 1.98 -1.08 0.00 0.00 179.45 180.12 2k62 h MET 30 N 0.00 0.31 -0.32 3.15 4.05 -1.66 -3.24 114.93 117.23 2k62 h MET 30 Ca -0.00 -0.28 -0.09 0.00 -0.28 0.00 0.00 59.70 59.04 2k62 h MET 30 Cb 0.27 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2k62 h MET 30 CO 0.02 0.95 -0.19 0.00 0.23 0.00 0.00 176.91 177.92 2k62 h ALA 31 N 0.37 1.07 0.00 0.39 0.00 -0.92 -2.71 119.26 117.46 2k62 h ALA 31 Ca -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2k62 h ALA 31 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k62 h ALA 31 CO 0.07 0.57 -0.23 0.07 0.00 0.00 0.00 179.25 179.73 2k62 h ARG 32 N 0.53 0.00 -0.00 0.00 0.11 -1.38 -1.84 114.38 111.80 2k62 h ARG 32 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 2k62 h ARG 32 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2k62 h ARG 32 CO 0.04 0.23 -0.26 -3.47 0.10 0.00 0.00 179.97 176.61 2k62 n ASP 33 N -3.85 0.44 -4.55 0.08 2.03 -1.04 -4.79 116.55 104.87 2k62 n ASP 33 Ca -0.02 -0.22 -0.38 0.00 0.52 0.00 0.00 54.79 54.69 2k62 n ASP 33 Cb 0.32 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 2k62 n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2k62 s ILE 34 N -2.82 3.30 -0.49 5.18 -1.09 -0.69 -4.87 121.20 119.72 2k62 s ILE 34 Ca 0.17 0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 2k62 s ILE 34 Cb 0.19 -3.81 0.16 0.00 -1.58 0.00 0.00 42.46 37.42 2k62 s ILE 34 CO 0.59 -0.79 0.36 -0.54 -1.23 0.00 0.00 174.94 173.33 2k62 s LYS 35 N 7.22 1.34 0.52 2.79 1.02 -1.26 -4.98 119.74 126.40 2k62 s LYS 35 Ca 0.71 -2.39 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 2k62 s LYS 35 Cb -0.13 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2k62 s LYS 35 CO 0.21 -1.33 0.79 -1.25 -0.92 0.00 0.00 175.35 172.85 2k62 s PRO 36 N -0.26 2.98 -0.12 -1.68 0.04 -1.26 -4.96 135.00 129.73 2k62 s PRO 36 Ca 0.28 -0.26 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 2k62 s PRO 36 Cb -0.03 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2k62 s PRO 36 CO -0.16 -0.50 0.59 0.42 0.04 0.00 0.00 177.00 177.39 2k62 s ILE 37 N -2.78 5.11 -0.44 0.56 1.01 -1.26 -4.15 121.20 119.25 2k62 s ILE 37 Ca 0.51 1.17 -0.19 0.00 0.00 0.00 0.00 60.65 62.14 2k62 s ILE 37 Cb -0.10 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.47 2k62 s ILE 37 CO 0.42 0.25 0.55 -0.69 0.00 0.00 0.00 174.94 175.47 2k62 s VAL 38 N 0.96 4.95 -0.36 2.92 1.01 -0.56 -3.54 120.40 125.78 2k62 s VAL 38 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2k62 s VAL 38 Cb -0.16 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2k62 s VAL 38 CO 0.13 -0.55 0.16 -1.61 0.00 0.00 0.00 175.10 173.23 2k62 s GLU 39 N 2.49 2.69 -0.25 2.72 2.02 -1.16 -0.86 118.70 126.35 2k62 s GLU 39 Ca 0.17 -1.18 -0.08 0.00 0.02 0.00 0.00 54.97 53.90 2k62 s GLU 39 Cb -0.16 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 2k62 s GLU 39 CO 0.16 -0.71 0.10 0.42 0.02 0.00 0.00 175.26 175.25 2k62 s ILE 40 N 1.46 4.60 -0.18 -1.63 1.01 0.21 -1.76 121.20 124.90 2k62 s ILE 40 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2k62 s ILE 40 Cb -0.20 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.15 2k62 s ILE 40 CO 0.04 0.32 -0.08 -1.10 0.00 0.00 0.00 174.94 174.12 2k62 s GLN 41 N 1.60 1.79 -0.00 2.79 -0.21 0.64 -1.43 119.66 124.84 2k62 s GLN 41 Ca 0.06 -0.69 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 2k62 s GLN 41 Cb -0.15 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2k62 s GLN 41 CO 0.05 -0.42 0.64 -1.14 -2.12 0.00 0.00 175.29 172.30 2k62 s GLN 42 N 1.50 4.37 -0.58 2.91 0.74 -1.26 -0.10 119.66 127.23 2k62 s GLN 42 Ca -0.00 0.81 0.06 0.00 0.05 0.00 0.00 55.36 56.28 2k62 s GLN 42 Cb -0.16 -3.36 0.30 0.00 1.10 0.00 0.00 33.01 30.89 2k62 s GLN 42 CO -0.08 0.32 0.83 1.17 -0.55 0.00 0.00 175.29 176.98 2k62 n LYS 43 N 2.86 2.70 0.00 1.67 4.81 0.14 -4.96 118.16 125.37 2k62 n LYS 43 Ca -0.05 -4.63 0.00 0.00 -0.87 0.00 0.00 58.31 52.76 2k62 n LYS 43 Cb 0.51 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2k62 n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k62 n GLY 44 N 0.31 2.02 0.05 3.14 0.00 -1.26 -2.94 105.19 106.51 2k62 n GLY 44 Ca 0.30 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 2k62 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k62 n ASP 45 N 4.82 1.43 -4.88 1.61 9.92 -1.26 -4.98 116.55 123.20 2k62 n ASP 45 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 2k62 n ASP 45 Cb 0.00 1.08 -0.05 0.00 -0.64 0.00 0.00 41.12 41.51 2k62 n ASP 45 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2k62 s ASP 46 N -4.53 6.54 -0.26 -2.24 1.01 -1.15 -1.41 116.67 114.64 2k62 s ASP 46 Ca -0.07 0.64 0.00 0.00 0.71 0.00 0.00 52.55 53.83 2k62 s ASP 46 Cb 0.06 -2.12 0.04 0.00 1.01 0.00 0.00 42.92 41.91 2k62 s ASP 46 CO 0.61 0.17 -0.08 -0.36 0.21 0.00 0.00 175.17 175.72 2k62 s PHE 47 N -1.44 3.14 -0.32 4.23 0.08 0.37 0.24 117.98 124.29 2k62 s PHE 47 Ca 0.33 -1.89 -0.15 0.00 0.12 0.00 0.00 56.93 55.34 2k62 s PHE 47 Cb -0.13 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 2k62 s PHE 47 CO 0.19 -0.81 0.34 0.08 -0.10 0.00 0.00 175.22 174.93 2k62 s VAL 48 N 1.23 5.19 -0.16 -0.44 1.01 0.86 -2.24 120.40 125.85 2k62 s VAL 48 Ca -0.04 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2k62 s VAL 48 Cb -0.18 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2k62 s VAL 48 CO -0.05 -0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.17 2k62 s VAL 49 N 1.99 2.35 -0.15 2.92 1.01 0.77 -0.26 120.40 129.03 2k62 s VAL 49 Ca 0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2k62 s VAL 49 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2k62 s VAL 49 CO 0.11 0.53 0.00 -0.89 0.00 0.00 0.00 175.10 174.85 2k62 s THR 50 N 0.93 4.27 -0.38 3.92 2.01 -0.73 -0.02 115.64 125.65 2k62 s THR 50 Ca -0.04 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 2k62 s THR 50 Cb -0.15 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.57 2k62 s THR 50 CO -0.03 0.51 0.17 -0.44 -0.69 0.00 0.00 174.62 174.14 2k62 s SER 51 N 0.05 5.34 -1.46 3.53 0.01 0.57 -2.96 113.70 118.77 2k62 s SER 51 Ca 0.02 -1.53 -0.11 0.00 1.31 0.00 0.00 55.95 55.64 2k62 s SER 51 Cb -0.13 -1.87 0.04 0.00 0.21 0.00 0.00 66.02 64.27 2k62 s SER 51 CO 0.02 -0.45 2.37 0.29 0.41 0.00 0.00 173.24 175.88 2k62 n LYS 52 N 4.76 3.39 -2.82 12.44 4.76 -1.23 -2.71 118.16 136.75 2k62 n LYS 52 Ca -0.09 -2.76 -0.40 0.00 -2.87 0.00 0.00 58.31 52.19 2k62 n LYS 52 Cb 0.43 -3.03 -0.05 0.00 -1.84 0.00 0.00 35.03 30.54 2k62 n LYS 52 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2k62 s THR 53 N 1.97 4.38 0.00 -0.18 2.01 -1.26 -4.17 115.64 118.38 2k62 s THR 53 Ca 0.52 1.95 0.00 0.00 0.31 0.00 0.00 61.69 64.47 2k62 s THR 53 Cb 0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2k62 s THR 53 CO -0.06 0.42 1.54 -0.81 -0.69 0.00 0.00 174.62 175.02 2k62 n PRO 54 N 2.17 0.79 0.03 4.92 -0.04 -1.26 -3.92 135.00 137.68 2k62 n PRO 54 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2k62 n PRO 54 Cb 0.49 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2k62 n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k62 n ARG 55 N 1.57 0.00 -3.61 0.54 3.00 -1.26 -5.06 116.66 111.84 2k62 n ARG 55 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2k62 n ARG 55 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.78 2k62 n ARG 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2k62 s GLN 56 N -1.25 2.96 0.27 -0.14 -1.52 -1.25 -5.06 119.66 113.66 2k62 s GLN 56 Ca 0.00 -2.69 -0.27 0.00 -1.95 0.00 0.00 55.36 50.46 2k62 s GLN 56 Cb 0.00 -3.94 -0.09 0.00 -0.22 0.00 0.00 33.01 28.76 2k62 s GLN 56 CO 0.00 -1.22 0.90 0.99 -0.25 0.00 0.00 175.29 175.71 2k62 s THR 57 N -0.31 4.22 0.08 -0.19 2.01 -1.25 -4.35 115.64 115.84 2k62 s THR 57 Ca 0.20 1.84 -0.26 0.00 0.31 0.00 0.00 61.69 63.78 2k62 s THR 57 Cb -0.15 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.32 2k62 s THR 57 CO -0.06 0.31 0.66 0.54 -0.69 0.00 0.00 174.62 175.38 2k62 s VAL 58 N -1.41 0.00 -0.05 3.82 0.11 -1.10 -4.94 120.40 116.83 2k62 s VAL 58 Ca 0.45 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 2k62 s VAL 58 Cb -0.21 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 2k62 s VAL 58 CO 0.26 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.96 2k62 s THR 59 N -2.92 1.52 0.15 5.04 2.01 -1.26 -0.32 115.64 119.86 2k62 s THR 59 Ca -0.02 -0.75 0.11 0.00 0.31 0.00 0.00 61.69 61.33 2k62 s THR 59 Cb -0.01 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2k62 s THR 59 CO -0.06 0.44 -0.24 0.20 -0.69 0.00 0.00 174.62 174.26 2k62 s ASN 60 N 0.14 3.19 -0.11 3.53 0.02 0.96 -4.89 114.94 117.79 2k62 s ASN 60 Ca -0.07 -0.79 -0.05 0.00 -1.02 0.00 0.00 52.86 50.93 2k62 s ASN 60 Cb -0.13 -0.21 0.06 0.00 0.02 0.00 0.00 41.25 40.98 2k62 s ASN 60 CO 0.03 0.12 0.24 -0.94 0.02 0.00 0.00 177.10 176.58 2k62 s SER 61 N -2.30 0.27 0.03 -1.22 1.04 -1.25 -0.17 113.70 110.10 2k62 s SER 61 Ca 0.15 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.16 2k62 s SER 61 Cb -0.09 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2k62 s SER 61 CO 0.07 -0.22 -0.13 0.72 0.98 0.00 0.00 173.24 174.66 2k62 s PHE 62 N 2.12 1.14 -0.16 5.02 -0.71 -0.95 -4.46 117.98 119.97 2k62 s PHE 62 Ca -0.01 -0.34 -0.13 0.00 -1.04 0.00 0.00 56.93 55.41 2k62 s PHE 62 Cb -0.12 -0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 40.97 2k62 s PHE 62 CO -0.08 0.02 0.28 0.99 -1.34 0.00 0.00 175.22 175.08 2k62 s THR 63 N -0.80 5.32 -0.28 -4.49 2.01 -1.26 -0.48 115.64 115.66 2k62 s THR 63 Ca 0.01 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 2k62 s THR 63 Cb -0.07 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2k62 s THR 63 CO 0.01 0.40 1.44 -0.76 -0.69 0.00 0.00 174.62 175.02 2k62 s LEU 64 N 0.41 3.86 0.00 4.42 1.43 -0.50 -2.79 118.68 125.51 2k62 s LEU 64 Ca 0.16 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2k62 s LEU 64 Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2k62 s LEU 64 CO 0.03 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.04 2k62 n GLY 65 N 4.51 0.65 2.63 -3.19 0.00 0.96 -4.85 105.19 105.90 2k62 n GLY 65 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2k62 n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k62 n LYS 66 N -2.03 0.61 -2.37 1.61 4.01 -1.12 -4.98 118.16 113.90 2k62 n LYS 66 Ca 0.00 -2.71 -0.41 0.00 -0.51 0.00 0.00 58.31 54.68 2k62 n LYS 66 Cb 0.00 1.56 -0.03 0.00 -0.51 0.00 0.00 35.03 36.05 2k62 n LYS 66 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2k62 s GLU 67 N -3.21 4.47 0.10 1.97 2.12 -1.26 -3.52 118.70 119.37 2k62 s GLU 67 Ca 0.18 1.87 0.07 0.00 0.36 0.00 0.00 54.97 57.45 2k62 s GLU 67 Cb 0.01 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 2k62 s GLU 67 CO 0.13 -0.14 -0.17 0.00 -0.54 0.00 0.00 175.26 174.54 2k62 s ALA 68 N 0.23 1.53 -0.34 6.30 0.00 -0.31 -4.61 121.76 124.55 2k62 s ALA 68 Ca 0.55 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2k62 s ALA 68 Cb -0.32 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.71 2k62 s ALA 68 CO 0.35 0.22 0.10 -0.51 0.00 0.00 0.00 175.76 175.91 2k62 s ASP 69 N -2.06 5.21 -0.46 0.00 1.01 -1.26 -2.18 116.67 116.93 2k62 s ASP 69 Ca 0.05 -1.33 -0.18 0.00 0.71 0.00 0.00 52.55 51.80 2k62 s ASP 69 Cb -0.08 -1.83 0.04 0.00 1.01 0.00 0.00 42.92 42.06 2k62 s ASP 69 CO 0.03 -0.36 0.54 -0.63 0.21 0.00 0.00 175.17 174.96 2k62 s ILE 70 N 1.33 4.98 -0.76 0.77 -1.09 0.11 -4.63 121.20 121.91 2k62 s ILE 70 Ca -0.01 -0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 57.94 2k62 s ILE 70 Cb -0.20 -4.17 0.20 0.00 -1.58 0.00 0.00 42.46 36.71 2k62 s ILE 70 CO 0.01 -0.60 0.64 -0.89 -1.23 0.00 0.00 174.94 172.87 2k62 s THR 71 N 2.38 4.73 0.98 2.92 2.01 -1.26 0.01 115.64 127.40 2k62 s THR 71 Ca 0.14 -2.82 -0.11 0.00 0.31 0.00 0.00 61.69 59.21 2k62 s THR 71 Cb -0.18 -3.97 0.18 0.00 0.01 0.00 0.00 72.50 68.54 2k62 s THR 71 CO 0.13 -0.97 1.09 0.28 -0.69 0.00 0.00 174.62 174.46 2k62 s THR 72 N -0.10 2.28 -0.42 -0.82 -1.32 -1.23 -4.80 115.64 109.22 2k62 s THR 72 Ca 0.19 0.09 0.17 0.00 -1.21 0.00 0.00 61.69 60.92 2k62 s THR 72 Cb -0.14 -2.26 0.17 0.00 -1.51 0.00 0.00 72.50 68.76 2k62 s THR 72 CO -0.07 -0.12 1.51 1.15 -2.21 0.00 0.00 174.62 174.89 2k62 n MET 73 N -4.32 0.11 0.27 7.08 0.00 -1.26 -1.57 117.12 117.42 2k62 n MET 73 Ca 0.08 0.58 0.10 0.00 0.00 0.00 0.00 57.70 58.46 2k62 n MET 73 Cb 0.53 -1.84 0.71 0.00 0.00 0.00 0.00 33.22 32.63 2k62 n MET 73 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2k62 h ASP 74 N 0.00 0.00 0.00 3.17 5.19 -1.92 -3.46 116.42 119.40 2k62 h ASP 74 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k62 h ASP 74 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2k62 h ASP 74 CO 0.00 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 2k62 n GLY 75 N -1.33 0.81 3.16 2.75 0.00 -0.61 -5.06 105.19 104.90 2k62 n GLY 75 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2k62 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k62 s LYS 76 N -0.91 2.82 0.35 1.61 -2.85 -1.26 -5.03 119.74 114.47 2k62 s LYS 76 Ca 0.00 -0.79 -0.09 0.00 -1.00 0.00 0.00 55.97 54.10 2k62 s LYS 76 Cb 0.00 -2.24 -0.06 0.00 -2.06 0.00 0.00 37.83 33.46 2k62 s LYS 76 CO 0.00 0.04 0.67 -1.59 0.10 0.00 0.00 175.35 174.57 2k62 s LYS 77 N 0.70 3.74 0.00 1.78 -2.85 -1.26 -3.49 119.74 118.36 2k62 s LYS 77 Ca -0.11 0.29 0.01 0.00 -1.00 0.00 0.00 55.97 55.16 2k62 s LYS 77 Cb -0.16 -2.50 -0.01 0.00 -2.06 0.00 0.00 37.83 33.10 2k62 s LYS 77 CO 0.02 0.09 -0.03 -1.17 0.10 0.00 0.00 175.35 174.36 2k62 s LEU 78 N -3.63 2.05 -0.10 2.77 2.96 0.10 -4.98 118.68 117.85 2k62 s LEU 78 Ca 0.48 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2k62 s LEU 78 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 2k62 s LEU 78 CO 0.29 -0.02 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.49 2k62 s LYS 79 N -0.30 3.05 0.36 1.98 2.36 -1.26 0.05 119.74 125.97 2k62 s LYS 79 Ca -0.02 -0.55 -0.13 0.00 -2.55 0.00 0.00 55.97 52.73 2k62 s LYS 79 Cb -0.02 -2.69 0.04 0.00 -1.05 0.00 0.00 37.83 34.11 2k62 s LYS 79 CO -0.00 0.52 0.69 0.00 1.55 0.00 0.00 175.35 178.11 2k62 s THR 81 N -2.73 2.51 -0.05 0.00 2.01 -1.26 -1.16 115.64 114.96 2k62 s THR 81 Ca 0.19 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2k62 s THR 81 Cb -0.04 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 2k62 s THR 81 CO 0.13 0.52 -0.23 0.54 -0.69 0.00 0.00 174.62 174.89 2k62 s VAL 82 N 0.90 2.27 -0.01 3.82 0.11 -1.23 -4.60 120.40 121.67 2k62 s VAL 82 Ca -0.04 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 2k62 s VAL 82 Cb -0.15 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 2k62 s VAL 82 CO -0.02 0.57 -0.12 -1.38 -3.33 0.00 0.00 175.10 170.82 2k62 s HIS 83 N -0.35 1.09 -0.51 1.54 -3.43 -1.18 -0.03 115.29 112.42 2k62 s HIS 83 Ca 0.02 -0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 53.93 2k62 s HIS 83 Cb -0.12 -0.70 0.12 0.00 -1.43 0.00 0.00 32.58 30.44 2k62 s HIS 83 CO 0.02 -0.02 0.43 -1.17 -2.00 0.00 0.00 174.74 172.01 2k62 s LEU 84 N -0.34 5.94 -0.38 5.38 2.96 -1.26 -2.56 118.68 128.41 2k62 s LEU 84 Ca 0.04 -1.75 -0.06 0.00 -0.22 0.00 0.00 54.13 52.14 2k62 s LEU 84 Cb -0.05 -2.14 0.07 0.00 0.50 0.00 0.00 46.19 44.57 2k62 s LEU 84 CO -0.00 -0.77 0.17 0.00 -1.32 0.00 0.00 176.35 174.42 2k62 s ALA 85 N 1.53 3.13 -1.45 5.97 0.00 0.22 -4.61 121.76 126.55 2k62 s ALA 85 Ca 0.04 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 49.85 2k62 s ALA 85 Cb -0.28 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.46 2k62 s ALA 85 CO 0.02 -1.55 0.94 0.09 0.00 0.00 0.00 175.76 175.27 2k62 n ASN 86 N 4.78 -6.14 0.00 0.00 4.13 -1.26 -1.09 115.26 115.68 2k62 n ASN 86 Ca -0.09 -0.45 0.00 0.00 1.68 0.00 0.00 54.58 55.71 2k62 n ASN 86 Cb 0.43 -4.89 0.00 0.00 -1.54 0.00 0.00 39.78 33.78 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k62 n GLY 87 N -1.79 0.66 3.40 7.41 0.00 -1.26 -5.03 105.19 108.59 2k62 n GLY 87 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2k62 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k62 s LYS 88 N -0.17 3.55 -0.80 1.61 2.47 -0.25 -4.92 119.74 121.24 2k62 s LYS 88 Ca 0.00 -0.54 -0.18 0.00 -1.56 0.00 0.00 55.97 53.70 2k62 s LYS 88 Cb 0.00 -3.15 0.15 0.00 -1.46 0.00 0.00 37.83 33.37 2k62 s LYS 88 CO 0.00 -0.13 0.90 -0.51 0.16 0.00 0.00 175.35 175.77 2k62 s LEU 89 N 1.38 5.63 -0.07 5.43 1.43 -1.26 -0.61 118.68 130.61 2k62 s LEU 89 Ca 0.05 -2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 51.05 2k62 s LEU 89 Cb -0.15 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2k62 s LEU 89 CO 0.01 -0.95 0.19 -0.69 0.23 0.00 0.00 176.35 175.14 2k62 s VAL 90 N 1.99 5.42 -0.08 -1.59 1.01 -1.06 -4.60 120.40 121.49 2k62 s VAL 90 Ca 0.22 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 2k62 s VAL 90 Cb -0.12 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.87 2k62 s VAL 90 CO -0.04 0.54 0.79 0.28 0.00 0.00 0.00 175.10 176.66 2k62 s THR 91 N -1.11 0.00 -0.10 3.92 -1.32 -1.26 -3.13 115.64 112.64 2k62 s THR 91 Ca 0.19 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.46 2k62 s THR 91 Cb -0.13 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2k62 s THR 91 CO 0.09 0.00 0.51 -0.75 -2.21 0.00 0.00 174.62 172.26 2k62 s LYS 92 N -1.27 0.76 0.00 7.08 2.20 -1.26 -2.86 119.74 124.38 2k62 s LYS 92 Ca -0.07 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2k62 s LYS 92 Cb -0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2k62 s LYS 92 CO 0.06 -0.18 0.00 0.43 -0.36 0.00 0.00 175.35 175.30 2k62 n SER 93 N 1.83 0.00 -0.10 1.43 7.64 0.26 -4.87 113.62 119.81 2k62 n SER 93 Ca -0.17 -0.53 -0.07 0.00 1.01 0.00 0.00 58.87 59.11 2k62 n SER 93 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 2k62 n SER 93 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k62 h GLU 94 N 0.00 -0.16 -0.43 1.43 4.39 -2.02 -3.21 114.58 114.58 2k62 h GLU 94 Ca 0.00 0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.40 2k62 h GLU 94 Cb 0.00 0.04 -0.34 0.00 -0.10 0.00 0.00 28.75 28.34 2k62 h GLU 94 CO 0.00 -0.11 -0.89 1.17 -1.16 0.00 0.00 179.01 178.02 2k62 n LYS 95 N -4.11 2.21 -4.50 2.33 4.81 -1.26 -5.03 118.16 112.60 2k62 n LYS 95 Ca -0.01 -3.53 -0.24 0.00 -0.87 0.00 0.00 58.31 53.66 2k62 n LYS 95 Cb 0.17 -1.66 -0.16 0.00 0.02 0.00 0.00 35.03 33.39 2k62 n LYS 95 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2k62 s PHE 96 N -3.13 1.31 -0.01 5.64 5.36 -1.21 -4.71 117.98 121.23 2k62 s PHE 96 Ca 0.39 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2k62 s PHE 96 Cb 0.37 -0.98 0.01 0.00 -0.34 0.00 0.00 43.02 42.08 2k62 s PHE 96 CO -0.03 -0.26 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.34 2k62 s SER 97 N 0.70 0.32 -0.04 6.13 0.01 -1.26 -0.57 113.70 118.98 2k62 s SER 97 Ca -0.14 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2k62 s SER 97 Cb -0.15 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.01 2k62 s SER 97 CO 0.03 -0.01 -0.01 -2.28 0.41 0.00 0.00 173.24 171.38 2k62 s HIS 98 N 0.29 0.46 0.21 2.43 2.46 -1.14 -2.27 115.29 117.73 2k62 s HIS 98 Ca -0.03 -0.06 0.11 0.00 0.47 0.00 0.00 55.06 55.56 2k62 s HIS 98 Cb -0.05 -0.54 -0.04 0.00 -0.13 0.00 0.00 32.58 31.82 2k62 s HIS 98 CO -0.01 -0.18 -0.21 -2.00 -2.47 0.00 0.00 174.74 169.87 2k62 s GLU 99 N 1.22 1.62 0.04 2.88 2.56 -0.98 -4.08 118.70 121.96 2k62 s GLU 99 Ca -0.07 -1.54 0.01 0.00 0.00 0.00 0.00 54.97 53.37 2k62 s GLU 99 Cb -0.13 -1.87 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 2k62 s GLU 99 CO -0.02 0.39 -0.05 -0.65 -0.56 0.00 0.00 175.26 174.37 2k62 s GLN 100 N -2.84 0.45 -0.35 4.30 -1.52 -1.26 -2.33 119.66 116.10 2k62 s GLN 100 Ca 0.23 -0.77 0.05 0.00 -1.95 0.00 0.00 55.36 52.92 2k62 s GLN 100 Cb -0.07 -0.04 0.17 0.00 -0.22 0.00 0.00 33.01 32.84 2k62 s GLN 100 CO 0.11 -0.02 0.48 -1.21 -0.25 0.00 0.00 175.29 174.41 2k62 s GLU 101 N -1.89 0.62 -0.49 2.91 0.41 -1.07 -4.95 118.70 114.25 2k62 s GLU 101 Ca -0.10 -0.25 -0.12 0.00 -0.41 0.00 0.00 54.97 54.09 2k62 s GLU 101 Cb -0.07 -0.25 0.12 0.00 -1.78 0.00 0.00 34.13 32.14 2k62 s GLU 101 CO -0.02 -1.13 0.39 0.08 -0.49 0.00 0.00 175.26 174.09 2k62 s VAL 102 N 2.02 4.60 -0.12 2.63 1.01 -1.26 -1.73 120.40 127.55 2k62 s VAL 102 Ca 0.14 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 60.51 2k62 s VAL 102 Cb -0.10 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2k62 s VAL 102 CO -0.14 -0.76 -0.10 -0.54 0.00 0.00 0.00 175.10 173.55 2k62 s LYS 103 N 1.46 1.78 4.16 2.72 1.02 -0.57 -5.00 119.74 125.31 2k62 s LYS 103 Ca 0.04 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2k62 s LYS 103 Cb -0.27 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2k62 s LYS 103 CO 0.01 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2k62 n GLY 104 N 4.82 1.02 1.38 -3.33 0.00 -1.26 -2.06 105.19 105.76 2k62 n GLY 104 Ca -0.14 0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2k62 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k62 n ASN 105 N 7.90 1.60 -3.80 1.61 3.02 -1.26 -5.04 115.26 119.30 2k62 n ASN 105 Ca 0.00 -2.78 -0.14 0.00 -0.03 0.00 0.00 54.58 51.63 2k62 n ASN 105 Cb 0.00 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 38.62 2k62 n ASN 105 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k62 s GLU 106 N -1.78 0.01 -0.30 3.52 2.56 -0.87 -3.89 118.70 117.94 2k62 s GLU 106 Ca 0.36 0.17 0.02 0.00 0.00 0.00 0.00 54.97 55.53 2k62 s GLU 106 Cb 0.38 -0.15 0.08 0.00 2.00 0.00 0.00 34.13 36.44 2k62 s GLU 106 CO -0.11 -0.12 0.01 1.41 -0.56 0.00 0.00 175.26 175.90 2k62 s MET 107 N 0.75 1.52 -0.26 4.30 -2.45 -0.40 -1.52 119.30 121.24 2k62 s MET 107 Ca -0.06 -1.47 -0.04 0.00 -1.25 0.00 0.00 55.69 52.87 2k62 s MET 107 Cb -0.09 -2.83 0.01 0.00 1.25 0.00 0.00 34.83 33.18 2k62 s MET 107 CO -0.03 -0.81 0.00 0.14 1.05 0.00 0.00 175.02 175.37 2k62 s VAL 108 N 1.15 3.42 0.31 10.11 -7.23 -0.70 -1.02 120.40 126.43 2k62 s VAL 108 Ca 0.04 -0.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.51 2k62 s VAL 108 Cb -0.19 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 2k62 s VAL 108 CO -0.10 0.18 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.97 2k62 s GLU 109 N 1.42 1.95 -0.11 4.82 -1.05 -1.05 -2.58 118.70 122.10 2k62 s GLU 109 Ca 0.02 -1.72 0.03 0.00 -0.15 0.00 0.00 54.97 53.15 2k62 s GLU 109 Cb -0.16 -1.89 0.01 0.00 -0.44 0.00 0.00 34.13 31.65 2k62 s GLU 109 CO -0.01 0.25 -0.19 0.99 0.95 0.00 0.00 175.26 177.24 2k62 s THR 110 N -2.49 1.77 -0.13 1.83 2.01 -0.99 -1.64 115.64 116.00 2k62 s THR 110 Ca 0.32 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2k62 s THR 110 Cb -0.03 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.93 2k62 s THR 110 CO 0.18 0.49 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.78 2k62 s ILE 111 N 0.73 1.83 -0.63 1.82 1.01 -0.14 -2.31 121.20 123.51 2k62 s ILE 111 Ca -0.11 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 2k62 s ILE 111 Cb -0.16 -1.64 0.14 0.00 0.01 0.00 0.00 42.46 40.81 2k62 s ILE 111 CO 0.02 0.51 0.66 -0.89 0.00 0.00 0.00 174.94 175.23 2k62 s THR 112 N 0.88 5.11 0.04 2.92 2.01 -0.96 -0.92 115.64 124.72 2k62 s THR 112 Ca -0.07 -1.50 0.05 0.00 0.31 0.00 0.00 61.69 60.49 2k62 s THR 112 Cb -0.15 -4.44 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 2k62 s THR 112 CO -0.02 -1.03 -0.16 0.72 -0.69 0.00 0.00 174.62 173.45 2k62 s PHE 113 N 1.80 1.38 0.00 4.92 -0.12 -1.10 -4.18 117.98 120.68 2k62 s PHE 113 Ca 0.10 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 56.64 2k62 s PHE 113 Cb -0.23 -0.83 0.00 0.00 -0.63 0.00 0.00 43.02 41.33 2k62 s PHE 113 CO 0.01 0.04 0.00 0.41 -0.05 0.00 0.00 175.22 175.64 2k62 n GLY 114 N 1.97 1.44 0.00 1.99 0.00 -1.26 -3.41 105.19 105.91 2k62 n GLY 114 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k62 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k62 n GLY 115 N 0.00 0.72 3.95 -0.02 0.00 -1.26 -4.99 105.19 103.58 2k62 n GLY 115 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2k62 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s VAL 116 N 0.00 3.20 -0.19 1.61 0.11 -1.22 -5.06 120.40 118.86 2k62 s VAL 116 Ca 0.00 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2k62 s VAL 116 Cb 0.00 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 2k62 s VAL 116 CO 0.00 -0.19 0.00 -0.89 -3.33 0.00 0.00 175.10 170.69 2k62 s THR 117 N -2.82 4.11 0.04 5.04 2.01 -1.26 -2.71 115.64 120.05 2k62 s THR 117 Ca 0.54 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.29 2k62 s THR 117 Cb -0.10 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2k62 s THR 117 CO 0.40 0.45 0.07 -0.22 -0.69 0.00 0.00 174.62 174.63 2k62 s LEU 118 N 0.73 3.78 -0.14 4.42 0.20 -0.10 -4.93 118.68 122.64 2k62 s LEU 118 Ca 0.00 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.86 2k62 s LEU 118 Cb -0.14 -2.34 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 2k62 s LEU 118 CO 0.02 0.22 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.52 2k62 s ILE 119 N -1.28 2.79 -0.15 6.68 1.01 -1.26 -0.97 121.20 128.02 2k62 s ILE 119 Ca 0.26 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2k62 s ILE 119 Cb -0.12 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2k62 s ILE 119 CO 0.17 0.52 -0.11 -0.60 0.00 0.00 0.00 174.94 174.92 2k62 s ARG 120 N 0.60 3.40 -0.33 2.79 6.06 -0.65 -4.75 118.95 126.08 2k62 s ARG 120 Ca -0.09 -0.66 -0.14 0.00 -2.50 0.00 0.00 55.73 52.34 2k62 s ARG 120 Cb -0.16 -2.72 -0.02 0.00 0.06 0.00 0.00 34.95 32.11 2k62 s ARG 120 CO 0.03 0.14 0.30 0.50 -2.50 0.00 0.00 175.30 173.77 2k62 s ARG 121 N 0.56 3.62 -0.30 5.12 3.52 -1.26 -2.52 118.95 127.69 2k62 s ARG 121 Ca -0.07 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 2k62 s ARG 121 Cb -0.15 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.47 2k62 s ARG 121 CO 0.03 -0.44 0.10 -1.12 -0.81 0.00 0.00 175.30 173.06 2k62 s SER 122 N 1.73 5.21 0.45 -2.12 0.01 -0.19 -1.75 113.70 117.05 2k62 s SER 122 Ca 0.09 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2k62 s SER 122 Cb -0.17 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.18 2k62 s SER 122 CO 0.11 -0.20 0.56 -1.59 0.41 0.00 0.00 173.24 172.53 2k62 s LYS 123 N 1.52 2.65 -1.52 12.44 -2.85 0.46 -1.27 119.74 131.17 2k62 s LYS 123 Ca 0.03 -1.41 -0.10 0.00 -1.00 0.00 0.00 55.97 53.49 2k62 s LYS 123 Cb -0.17 -2.63 -0.08 0.00 -2.06 0.00 0.00 37.83 32.89 2k62 s LYS 123 CO 0.03 -0.37 2.80 2.89 0.10 0.00 0.00 175.35 180.80 2k62 n ARG 124 N -1.85 3.42 -0.58 1.78 1.85 -1.25 -0.56 116.66 119.47 2k62 n ARG 124 Ca 0.08 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.82 2k62 n ARG 124 Cb 0.60 -2.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 2k62 n ARG 124 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90