#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 0.29 -1.94 0.00 3.01 -1.26 -5.02 117.46 112.54 2k62 n PHE 2 Ca 0.00 -0.28 -0.37 0.00 1.01 0.00 0.00 57.45 57.82 2k62 n PHE 2 Cb 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.49 2k62 n PHE 2 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2k62 s SER 3 N -1.02 5.21 0.00 4.37 1.04 -1.26 -4.86 113.70 117.18 2k62 s SER 3 Ca 0.21 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.15 2k62 s SER 3 Cb 0.12 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2k62 s SER 3 CO 0.17 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.41 2k62 n GLY 4 N 0.62 -0.39 3.13 7.32 0.00 -0.58 -4.96 105.19 110.33 2k62 n GLY 4 Ca 0.13 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.65 2.56 0.15 2.61 2.01 -1.26 -1.13 115.64 117.93 2k62 s THR 5 Ca 0.00 -1.42 0.10 0.00 0.31 0.00 0.00 61.69 60.68 2k62 s THR 5 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2k62 s THR 5 CO 0.00 0.00 -0.21 0.26 -0.69 0.00 0.00 174.62 173.99 2k62 s TRP 6 N 1.20 2.42 -0.21 4.92 0.52 0.33 -4.37 118.94 123.75 2k62 s TRP 6 Ca -0.06 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.70 2k62 s TRP 6 Cb -0.19 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2k62 s TRP 6 CO -0.04 0.43 0.00 -1.14 0.02 0.00 0.00 176.95 176.22 2k62 s GLN 7 N -2.39 3.57 -0.42 4.98 2.00 0.69 -0.04 119.66 128.05 2k62 s GLN 7 Ca 0.19 -0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 52.86 2k62 s GLN 7 Cb -0.09 -3.10 0.03 0.00 0.80 0.00 0.00 33.01 30.64 2k62 s GLN 7 CO 0.10 -0.07 0.33 0.14 -0.50 0.00 0.00 175.29 175.29 2k62 s VAL 8 N 1.21 5.24 -0.24 1.34 -7.23 -1.25 -1.56 120.40 117.90 2k62 s VAL 8 Ca 0.03 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2k62 s VAL 8 Cb -0.15 -3.97 0.06 0.00 0.56 0.00 0.00 36.38 32.88 2k62 s VAL 8 CO 0.01 -0.36 -0.10 -0.72 -0.31 0.00 0.00 175.10 173.61 2k62 s TYR 9 N 1.73 2.97 -0.07 2.82 1.13 -0.00 -4.64 117.35 121.29 2k62 s TYR 9 Ca 0.06 -2.09 -0.28 0.00 -1.41 0.00 0.00 57.07 53.34 2k62 s TYR 9 Cb -0.20 -1.83 0.06 0.00 -1.10 0.00 0.00 41.96 38.90 2k62 s TYR 9 CO 0.10 -0.84 0.64 0.00 -2.51 0.00 0.00 175.55 172.94 2k62 s ALA 10 N 1.20 -1.65 0.00 9.51 0.00 -1.26 -3.86 121.76 125.70 2k62 s ALA 10 Ca -0.07 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2k62 s ALA 10 Cb -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2k62 s ALA 10 CO -0.06 -0.35 0.00 0.94 0.00 0.00 0.00 175.76 176.29 2k62 n GLN 11 N 1.16 0.00 -2.01 0.00 7.27 -1.26 -4.98 117.38 117.56 2k62 n GLN 11 Ca -0.19 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.46 2k62 n GLN 11 Cb 0.57 -0.05 -0.03 0.00 2.41 0.00 0.00 30.24 33.14 2k62 n GLN 11 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2k62 s GLU 12 N 0.00 4.19 -0.12 3.69 1.03 -1.26 -2.05 118.70 124.18 2k62 s GLU 12 Ca 0.00 2.20 0.00 0.00 0.03 0.00 0.00 54.97 57.20 2k62 s GLU 12 Cb 0.00 -3.93 0.00 0.00 -0.80 0.00 0.00 34.13 29.40 2k62 s GLU 12 CO 0.00 -0.82 0.00 0.09 -1.33 0.00 0.00 175.26 173.20 2k62 n ASN 13 N 6.89 -3.75 0.42 0.83 4.13 -1.26 -4.31 115.26 118.21 2k62 n ASN 13 Ca 0.17 0.03 -0.17 0.00 1.68 0.00 0.00 54.58 56.29 2k62 n ASN 13 Cb 0.43 -1.35 -0.08 0.00 -1.54 0.00 0.00 39.78 37.23 2k62 n ASN 13 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2k62 h TYR 14 N 0.00 -1.00 0.00 3.10 5.03 -1.79 -3.00 116.97 119.31 2k62 h TYR 14 Ca -0.02 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 2k62 h TYR 14 Cb 0.28 0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 2k62 h TYR 14 CO 0.16 -0.62 -0.13 1.05 -1.32 0.00 0.00 178.16 177.30 2k62 h GLU 15 N -1.09 0.00 -0.82 1.82 4.11 -1.92 -2.60 114.58 114.08 2k62 h GLU 15 Ca -0.11 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.38 2k62 h GLU 15 Cb 0.83 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2k62 h GLU 15 CO 0.18 0.13 0.51 1.49 0.07 0.00 0.00 179.01 181.39 2k62 h GLU 16 N 0.00 0.91 0.03 1.06 4.57 -1.92 -1.89 114.58 117.33 2k62 h GLU 16 Ca -0.00 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 2k62 h GLU 16 Cb 0.25 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2k62 h GLU 16 CO 0.02 0.60 -0.97 0.35 -1.18 0.00 0.00 179.01 177.83 2k62 h PHE 17 N 0.94 0.25 -0.70 0.92 3.57 -1.34 -3.30 116.94 117.28 2k62 h PHE 17 Ca 0.36 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.76 2k62 h PHE 17 Cb 0.15 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2k62 h PHE 17 CO -0.04 1.03 0.40 -0.07 -2.23 0.00 0.00 178.31 177.40 2k62 h LEU 18 N 0.07 0.59 -1.32 0.59 3.38 -1.11 0.19 115.31 117.71 2k62 h LEU 18 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k62 h LEU 18 Cb 1.65 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2k62 h LEU 18 CO 0.15 0.38 0.00 2.29 0.09 0.00 0.00 178.44 181.35 2k62 n LYS 19 N -4.76 1.44 -0.55 1.13 2.85 -0.96 -2.98 118.16 114.34 2k62 n LYS 19 Ca 0.09 -0.36 0.02 0.00 -1.05 0.00 0.00 58.31 57.01 2k62 n LYS 19 Cb 0.18 -1.58 0.03 0.00 -0.65 0.00 0.00 35.03 33.01 2k62 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k62 n ALA 20 N 0.08 2.11 -3.00 0.58 0.00 0.04 -5.05 120.51 115.26 2k62 n ALA 20 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.06 2k62 n ALA 20 Cb 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.17 0.00 -1.07 0.00 7.94 -1.14 -4.91 117.00 117.65 2k62 n LEU 21 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2k62 n LEU 21 Cb 0.74 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.69 2k62 n LEU 21 CO -0.00 0.00 0.49 0.00 -1.11 0.00 0.00 177.39 176.77 2k62 n ALA 22 N -3.00 2.54 -3.47 1.96 0.00 -1.26 -4.76 120.51 112.51 2k62 n ALA 22 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2k62 n ALA 22 Cb 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 0.00 4.07 -0.12 0.00 1.02 -1.23 -4.95 118.68 117.46 2k62 s LEU 23 Ca 0.00 -1.22 -0.00 0.00 0.02 0.00 0.00 54.13 52.93 2k62 s LEU 23 Cb 0.00 -1.78 0.09 0.00 0.02 0.00 0.00 46.19 44.52 2k62 s LEU 23 CO 0.00 -0.29 1.87 -0.81 0.02 0.00 0.00 176.35 177.14 2k62 n PRO 24 N 4.70 1.30 0.00 1.29 -0.04 -1.26 -4.54 135.00 136.46 2k62 n PRO 24 Ca -0.13 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2k62 n PRO 24 Cb 0.44 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2k62 n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k62 n GLU 25 N 0.90 0.00 -0.24 0.54 2.13 -1.26 -4.68 120.64 118.04 2k62 n GLU 25 Ca 0.12 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.05 2k62 n GLU 25 Cb 0.56 -0.26 0.38 0.00 0.27 0.00 0.00 31.44 32.40 2k62 n GLU 25 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2k62 h ASP 26 N 0.00 0.63 -0.04 4.31 3.58 -1.99 -0.76 116.42 122.16 2k62 h ASP 26 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k62 h ASP 26 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2k62 h ASP 26 CO 0.00 0.34 0.00 0.18 -2.88 0.00 0.00 179.24 176.88 2k62 n LEU 27 N -4.53 0.62 -0.13 2.28 4.77 -1.26 -3.92 117.00 114.82 2k62 n LEU 27 Ca 0.15 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 2k62 n LEU 27 Cb 0.42 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 2k62 n LEU 27 CO 0.31 0.14 0.95 -0.29 -1.33 0.00 0.00 177.39 177.17 2k62 h ILE 28 N 0.22 1.23 0.00 -0.08 2.10 -1.52 -1.75 117.51 117.71 2k62 h ILE 28 Ca 0.00 -0.87 -0.13 0.00 1.08 0.00 0.00 64.86 64.94 2k62 h ILE 28 Cb 0.26 0.72 -0.02 0.00 -1.09 0.00 0.00 36.82 36.69 2k62 h ILE 28 CO 0.01 0.32 -0.63 0.11 -1.08 0.00 0.00 178.15 176.88 2k62 h LYS 29 N 0.80 0.00 -0.41 2.19 1.57 -1.82 -2.42 116.57 116.47 2k62 h LYS 29 Ca 0.17 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 2k62 h LYS 29 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2k62 h LYS 29 CO 0.00 0.63 -0.31 1.98 -0.57 0.00 0.00 179.45 181.18 2k62 h MET 30 N 0.00 0.94 -0.29 3.15 4.05 -1.71 -2.97 114.93 118.10 2k62 h MET 30 Ca -0.01 -0.46 -0.15 0.00 -0.28 0.00 0.00 59.70 58.81 2k62 h MET 30 Cb 1.39 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.18 2k62 h MET 30 CO 0.08 1.12 -0.41 0.00 0.23 0.00 0.00 176.91 177.94 2k62 h ALA 31 N 0.80 0.73 0.00 0.39 0.00 -1.27 -2.85 119.26 117.06 2k62 h ALA 31 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k62 h ALA 31 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k62 h ALA 31 CO 0.08 0.66 0.00 0.07 0.00 0.00 0.00 179.25 180.06 2k62 h ARG 32 N 0.58 0.00 0.00 0.00 0.11 -1.37 -1.77 114.38 111.93 2k62 h ARG 32 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2k62 h ARG 32 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2k62 h ARG 32 CO 0.09 0.00 -0.76 -3.47 0.10 0.00 0.00 179.97 175.93 2k62 n ASP 33 N -2.92 0.72 -4.56 0.08 2.03 -1.09 -4.79 116.55 106.01 2k62 n ASP 33 Ca -0.00 -0.56 -0.26 0.00 0.52 0.00 0.00 54.79 54.48 2k62 n ASP 33 Cb 0.22 0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 41.19 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 -3.02 3.42 -0.42 5.18 -1.09 -0.67 -4.78 121.20 119.83 2k62 s ILE 34 Ca 0.09 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 2k62 s ILE 34 Cb 0.17 -3.95 0.18 0.00 -1.58 0.00 0.00 42.46 37.28 2k62 s ILE 34 CO 0.78 -0.90 0.42 0.29 -1.23 0.00 0.00 174.94 174.30 2k62 n LYS 35 N 8.86 0.31 -2.74 2.79 5.02 -1.26 -4.95 118.16 126.18 2k62 n LYS 35 Ca 0.40 -3.02 -0.21 0.00 -2.02 0.00 0.00 58.31 53.46 2k62 n LYS 35 Cb 0.47 -1.58 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 2k62 n LYS 35 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k62 s PRO 36 N -0.01 2.24 -0.13 1.97 0.04 -1.26 -4.95 135.00 132.90 2k62 s PRO 36 Ca 0.33 -1.12 -0.18 0.00 0.04 0.00 0.00 61.00 60.07 2k62 s PRO 36 Cb 0.06 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2k62 s PRO 36 CO -0.17 -0.94 0.47 0.42 0.04 0.00 0.00 177.00 176.82 2k62 s ILE 37 N -2.82 5.19 -0.44 0.56 1.09 -1.26 -3.86 121.20 119.66 2k62 s ILE 37 Ca 0.61 0.93 -0.20 0.00 -1.10 0.00 0.00 60.65 60.89 2k62 s ILE 37 Cb -0.08 -3.81 0.03 0.00 -1.06 0.00 0.00 42.46 37.54 2k62 s ILE 37 CO 0.40 0.31 0.63 -0.69 -0.10 0.00 0.00 174.94 175.49 2k62 s VAL 38 N 0.73 4.84 -0.53 2.92 1.01 0.94 -4.56 120.40 125.75 2k62 s VAL 38 Ca 0.25 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 2k62 s VAL 38 Cb -0.15 -4.20 0.14 0.00 0.00 0.00 0.00 36.38 32.16 2k62 s VAL 38 CO 0.10 -0.60 0.41 -1.61 0.00 0.00 0.00 175.10 173.40 2k62 s GLU 39 N 2.77 2.63 -0.29 2.72 2.02 -1.26 -0.51 118.70 126.78 2k62 s GLU 39 Ca 0.21 -1.92 -0.19 0.00 0.02 0.00 0.00 54.97 53.09 2k62 s GLU 39 Cb -0.15 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.09 2k62 s GLU 39 CO 0.18 -1.21 0.56 0.42 0.02 0.00 0.00 175.26 175.24 2k62 s ILE 40 N 1.09 5.01 -0.14 -1.63 1.01 -0.29 -3.72 121.20 122.53 2k62 s ILE 40 Ca 0.08 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 2k62 s ILE 40 Cb -0.24 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2k62 s ILE 40 CO -0.02 -0.04 -0.07 -1.10 0.00 0.00 0.00 174.94 173.71 2k62 s GLN 41 N 2.45 3.49 -0.27 2.79 -0.21 -0.30 -1.52 119.66 126.09 2k62 s GLN 41 Ca 0.23 -0.57 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 2k62 s GLN 41 Cb -0.15 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2k62 s GLN 41 CO 0.11 0.28 0.13 -1.14 -2.12 0.00 0.00 175.29 172.55 2k62 s GLN 42 N 0.23 3.78 -0.34 2.91 0.74 -1.26 -1.63 119.66 124.09 2k62 s GLN 42 Ca -0.05 -0.41 0.08 0.00 0.05 0.00 0.00 55.36 55.03 2k62 s GLN 42 Cb -0.14 -3.49 0.62 0.00 1.10 0.00 0.00 33.01 31.09 2k62 s GLN 42 CO 0.04 -0.19 1.69 1.63 -0.55 0.00 0.00 175.29 177.91 2k62 n LYS 43 N 4.99 2.51 0.00 1.67 5.02 0.44 -4.99 118.16 127.79 2k62 n LYS 43 Ca -0.15 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.07 2k62 n LYS 43 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 2k62 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k62 n GLY 44 N -0.86 2.33 0.07 0.72 0.00 -1.26 -3.76 105.19 102.43 2k62 n GLY 44 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.39 2k62 n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k62 n ASP 45 N 4.68 0.40 -4.53 1.61 2.03 -1.26 -4.94 116.55 114.54 2k62 n ASP 45 Ca 0.00 0.17 -0.26 0.00 0.52 0.00 0.00 54.79 55.22 2k62 n ASP 45 Cb 0.00 0.98 -0.10 0.00 -0.72 0.00 0.00 41.12 41.28 2k62 n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k62 s ASP 46 N -5.24 3.99 -0.03 1.67 2.15 -1.25 -1.85 116.67 116.12 2k62 s ASP 46 Ca -0.06 -0.70 0.04 0.00 0.43 0.00 0.00 52.55 52.26 2k62 s ASP 46 Cb 0.10 -0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 42.15 2k62 s ASP 46 CO 0.84 0.09 -0.13 -0.36 -0.17 0.00 0.00 175.17 175.45 2k62 s PHE 47 N -1.81 1.30 -0.08 -5.34 0.40 -0.23 -0.42 117.98 111.79 2k62 s PHE 47 Ca 0.25 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 2k62 s PHE 47 Cb -0.08 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.58 2k62 s PHE 47 CO 0.14 -0.10 -0.13 0.14 0.70 0.00 0.00 175.22 175.97 2k62 s VAL 48 N -0.02 1.27 -0.08 -0.44 -7.23 -0.64 -1.42 120.40 111.84 2k62 s VAL 48 Ca -0.01 -0.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.63 2k62 s VAL 48 Cb -0.09 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.71 2k62 s VAL 48 CO 0.01 0.39 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.45 2k62 s VAL 49 N 0.82 0.74 -0.16 1.32 1.01 0.13 -1.15 120.40 123.10 2k62 s VAL 49 Ca -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2k62 s VAL 49 Cb -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2k62 s VAL 49 CO 0.02 0.31 0.05 -0.89 0.00 0.00 0.00 175.10 174.59 2k62 s THR 50 N 1.58 4.71 -0.31 3.92 2.01 -1.24 0.34 115.64 126.64 2k62 s THR 50 Ca 0.01 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 2k62 s THR 50 Cb -0.13 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.31 2k62 s THR 50 CO -0.05 0.50 0.09 -0.44 -0.69 0.00 0.00 174.62 174.03 2k62 s SER 51 N 0.09 5.21 -0.42 3.53 0.01 0.12 -4.25 113.70 117.99 2k62 s SER 51 Ca 0.05 -0.88 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 2k62 s SER 51 Cb -0.12 -1.88 0.10 0.00 0.21 0.00 0.00 66.02 64.33 2k62 s SER 51 CO 0.01 -0.25 0.24 -1.59 0.41 0.00 0.00 173.24 172.06 2k62 s LYS 52 N 1.46 2.28 0.35 12.44 -2.85 -1.26 -2.37 119.74 129.79 2k62 s LYS 52 Ca 0.01 -1.69 0.09 0.00 -1.00 0.00 0.00 55.97 53.38 2k62 s LYS 52 Cb -0.18 -3.69 -0.05 0.00 -2.06 0.00 0.00 37.83 31.85 2k62 s LYS 52 CO 0.03 -1.05 0.04 0.95 0.10 0.00 0.00 175.35 175.42 2k62 s THR 53 N 1.27 2.61 -0.29 3.79 -4.23 -0.81 -4.47 115.64 113.51 2k62 s THR 53 Ca 0.05 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2k62 s THR 53 Cb -0.24 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 70.81 2k62 s THR 53 CO -0.02 -0.17 0.93 -0.81 -0.54 0.00 0.00 174.62 174.02 2k62 n PRO 54 N -1.00 1.15 0.00 3.99 -0.04 -1.26 -3.80 135.00 134.03 2k62 n PRO 54 Ca -0.04 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2k62 n PRO 54 Cb 0.63 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.29 0.00 -4.25 0.54 3.00 -1.26 -5.14 116.66 109.83 2k62 n ARG 55 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.75 2k62 n ARG 55 Cb 0.51 -0.16 -0.10 0.00 0.00 0.00 0.00 32.46 32.71 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 -1.49 1.08 -0.11 -0.14 -1.52 -1.25 -5.16 119.66 111.07 2k62 s GLN 56 Ca 0.00 -1.49 -0.07 0.00 -1.95 0.00 0.00 55.36 51.85 2k62 s GLN 56 Cb 0.00 -0.51 0.04 0.00 -0.22 0.00 0.00 33.01 32.33 2k62 s GLN 56 CO 0.00 0.00 0.28 0.99 -0.25 0.00 0.00 175.29 176.31 2k62 s THR 57 N -3.44 -0.02 0.02 -0.19 2.01 -1.26 -1.92 115.64 110.84 2k62 s THR 57 Ca 0.19 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 2k62 s THR 57 Cb 0.04 -0.41 0.06 0.00 0.01 0.00 0.00 72.50 72.20 2k62 s THR 57 CO 0.02 0.04 0.58 0.54 -0.69 0.00 0.00 174.62 175.10 2k62 s VAL 58 N 0.86 0.02 -0.20 3.82 0.11 -1.00 -4.91 120.40 119.10 2k62 s VAL 58 Ca -0.06 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2k62 s VAL 58 Cb -0.07 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 2k62 s VAL 58 CO -0.06 -0.07 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.60 2k62 s THR 59 N -2.05 1.90 0.06 5.04 2.01 -1.26 0.10 115.64 121.45 2k62 s THR 59 Ca -0.07 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.79 2k62 s THR 59 Cb -0.01 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 2k62 s THR 59 CO 0.02 0.32 0.38 0.21 -0.69 0.00 0.00 174.62 174.86 2k62 s ASN 60 N 1.31 6.62 -0.12 3.53 3.84 0.15 -4.84 114.94 125.43 2k62 s ASN 60 Ca 0.01 0.75 -0.04 0.00 0.21 0.00 0.00 52.86 53.79 2k62 s ASN 60 Cb -0.15 -2.16 0.06 0.00 -0.55 0.00 0.00 41.25 38.44 2k62 s ASN 60 CO -0.10 0.19 0.17 -0.44 -2.79 0.00 0.00 177.10 174.13 2k62 s SER 61 N -1.73 1.04 -0.01 -4.21 0.01 -1.26 -0.70 113.70 106.84 2k62 s SER 61 Ca 0.32 0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.75 2k62 s SER 61 Cb -0.14 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 2k62 s SER 61 CO 0.18 -0.27 -0.15 0.72 0.41 0.00 0.00 173.24 174.12 2k62 s PHE 62 N 2.29 1.33 -0.10 2.43 -0.71 -0.51 -4.10 117.98 118.60 2k62 s PHE 62 Ca 0.04 -0.25 -0.14 0.00 -1.04 0.00 0.00 56.93 55.54 2k62 s PHE 62 Cb -0.13 -0.86 -0.05 0.00 -1.21 0.00 0.00 43.02 40.77 2k62 s PHE 62 CO -0.07 -0.02 0.34 0.99 -1.34 0.00 0.00 175.22 175.11 2k62 s THR 63 N -0.35 5.23 -0.04 -4.49 2.01 -1.26 -1.07 115.64 115.67 2k62 s THR 63 Ca 0.06 0.66 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2k62 s THR 63 Cb -0.06 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2k62 s THR 63 CO -0.01 0.46 1.17 -0.76 -0.69 0.00 0.00 174.62 174.80 2k62 s LEU 64 N -0.10 4.29 0.00 4.42 1.43 -0.77 -3.14 118.68 124.82 2k62 s LEU 64 Ca 0.20 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2k62 s LEU 64 Cb -0.14 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2k62 s LEU 64 CO 0.07 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.72 2k62 n GLY 65 N 3.30 1.63 3.61 -3.19 0.00 0.64 -4.93 105.19 106.25 2k62 n GLY 65 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2k62 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 66 N -0.15 2.00 0.15 1.61 1.02 -1.19 -4.98 119.74 118.21 2k62 s LYS 66 Ca 0.00 -2.23 -0.30 0.00 0.02 0.00 0.00 55.97 53.46 2k62 s LYS 66 Cb 0.00 -1.08 -0.07 0.00 -0.52 0.00 0.00 37.83 36.16 2k62 s LYS 66 CO 0.00 -0.36 1.05 -2.00 -0.92 0.00 0.00 175.35 173.11 2k62 s GLU 67 N -3.79 4.64 0.29 1.68 2.12 -1.26 -4.13 118.70 118.24 2k62 s GLU 67 Ca 0.19 1.61 0.02 0.00 0.36 0.00 0.00 54.97 57.16 2k62 s GLU 67 Cb 0.04 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2k62 s GLU 67 CO 0.11 0.14 0.12 0.00 -0.54 0.00 0.00 175.26 175.09 2k62 s ALA 68 N -0.17 1.90 -0.28 6.30 0.00 -1.25 -4.70 121.76 123.56 2k62 s ALA 68 Ca 0.48 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 2k62 s ALA 68 Cb -0.27 1.06 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2k62 s ALA 68 CO 0.33 -0.47 0.03 0.34 0.00 0.00 0.00 175.76 175.99 2k62 s ASP 69 N -3.36 4.85 -0.98 0.00 -1.08 -1.26 -3.93 116.67 110.91 2k62 s ASP 69 Ca 0.36 -0.77 -0.16 0.00 -0.52 0.00 0.00 52.55 51.47 2k62 s ASP 69 Cb 0.06 -1.81 0.18 0.00 -1.46 0.00 0.00 42.92 39.90 2k62 s ASP 69 CO 0.15 -0.17 1.09 -0.63 0.52 0.00 0.00 175.17 176.14 2k62 s ILE 70 N 1.44 5.15 -0.36 4.11 -1.09 0.55 -4.34 121.20 126.66 2k62 s ILE 70 Ca 0.02 -2.21 -0.24 0.00 -2.23 0.00 0.00 60.65 55.99 2k62 s ILE 70 Cb -0.17 -4.71 0.01 0.00 -1.58 0.00 0.00 42.46 36.01 2k62 s ILE 70 CO 0.00 -1.37 0.80 -0.89 -1.23 0.00 0.00 174.94 172.25 2k62 s THR 71 N 1.40 4.72 0.34 2.92 2.01 -1.26 -1.66 115.64 124.11 2k62 s THR 71 Ca 0.31 0.95 0.07 0.00 0.31 0.00 0.00 61.69 63.33 2k62 s THR 71 Cb -0.06 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2k62 s THR 71 CO -0.07 -0.44 0.31 0.28 -0.69 0.00 0.00 174.62 174.01 2k62 s THR 72 N 3.15 3.52 -0.19 -0.82 -1.32 -1.12 -4.38 115.64 114.47 2k62 s THR 72 Ca 0.32 -1.34 0.28 0.00 -1.21 0.00 0.00 61.69 59.74 2k62 s THR 72 Cb -0.13 -3.19 0.30 0.00 -1.51 0.00 0.00 72.50 67.97 2k62 s THR 72 CO 0.17 -0.16 1.84 0.00 -2.21 0.00 0.00 174.62 174.25 2k62 h MET 73 N 1.21 0.00 0.00 7.08 -0.00 -1.91 -2.72 114.93 118.59 2k62 h MET 73 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2k62 h MET 73 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2k62 h MET 73 CO 0.58 0.00 0.00 -0.44 -0.00 0.00 0.00 176.91 177.05 2k62 h ASP 74 N 0.00 0.00 0.00 -0.10 5.19 -1.98 -3.46 116.42 116.07 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 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2k62 h ASP 74 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k62 n GLY 75 N -0.73 0.74 3.34 2.75 0.00 -1.02 -5.07 105.19 105.20 2k62 n GLY 75 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.87 1.30 0.21 1.61 0.00 -1.26 -5.02 119.74 115.71 2k62 s LYS 76 Ca 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 55.97 54.50 2k62 s LYS 76 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 37.83 36.73 2k62 s LYS 76 CO 0.00 0.16 -0.18 -1.59 0.00 0.00 0.00 175.35 173.74 2k62 s LYS 77 N -3.66 1.73 -0.02 1.78 -2.85 -1.26 -2.80 119.74 112.66 2k62 s LYS 77 Ca 0.22 -1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 53.66 2k62 s LYS 77 Cb -0.00 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2k62 s LYS 77 CO 0.06 0.39 0.08 -1.17 0.10 0.00 0.00 175.35 174.82 2k62 s LEU 78 N -2.91 1.74 -0.50 2.77 2.96 -0.66 -4.98 118.68 117.08 2k62 s LEU 78 Ca 0.24 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2k62 s LEU 78 Cb -0.08 0.36 0.13 0.00 0.50 0.00 0.00 46.19 47.10 2k62 s LEU 78 CO 0.13 -0.16 0.38 -0.75 -1.32 0.00 0.00 176.35 174.62 2k62 s LYS 79 N -0.58 2.56 -0.02 1.98 2.20 -1.26 -0.33 119.74 124.29 2k62 s LYS 79 Ca -0.07 -1.84 0.06 0.00 -0.36 0.00 0.00 55.97 53.77 2k62 s LYS 79 Cb -0.04 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.30 2k62 s LYS 79 CO 0.00 -1.21 -0.21 0.00 -0.36 0.00 0.00 175.35 173.58 2k62 s THR 81 N -0.45 5.09 0.01 0.00 -4.23 -1.26 -3.94 115.64 110.86 2k62 s THR 81 Ca 0.07 0.94 0.08 0.00 -1.18 0.00 0.00 61.69 61.60 2k62 s THR 81 Cb -0.08 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2k62 s THR 81 CO -0.00 0.14 -0.22 0.54 -0.54 0.00 0.00 174.62 174.53 2k62 s VAL 82 N 1.89 2.42 0.01 2.29 0.11 -1.26 -4.51 120.40 121.36 2k62 s VAL 82 Ca 0.23 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2k62 s VAL 82 Cb -0.15 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.74 2k62 s VAL 82 CO 0.09 0.45 -0.17 -1.38 -3.33 0.00 0.00 175.10 170.77 2k62 s HIS 83 N -0.77 1.50 -0.77 1.54 -3.43 -1.04 -0.26 115.29 112.05 2k62 s HIS 83 Ca 0.12 -0.31 -0.20 0.00 -0.80 0.00 0.00 55.06 53.87 2k62 s HIS 83 Cb -0.10 -0.94 0.11 0.00 -1.43 0.00 0.00 32.58 30.22 2k62 s HIS 83 CO 0.02 0.01 1.00 -1.17 -2.00 0.00 0.00 174.74 172.59 2k62 s LEU 84 N -0.69 4.88 -0.62 5.38 2.96 -1.26 -2.54 118.68 126.78 2k62 s LEU 84 Ca 0.06 -1.56 -0.17 0.00 -0.22 0.00 0.00 54.13 52.24 2k62 s LEU 84 Cb -0.07 -2.39 0.13 0.00 0.50 0.00 0.00 46.19 44.36 2k62 s LEU 84 CO 0.00 -1.21 0.65 0.00 -1.32 0.00 0.00 176.35 174.47 2k62 s ALA 85 N 3.18 3.61 -1.98 5.97 0.00 0.04 -4.32 121.76 128.25 2k62 s ALA 85 Ca 0.25 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.67 2k62 s ALA 85 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2k62 s ALA 85 CO 0.00 -2.24 0.00 -1.71 0.00 0.00 0.00 175.76 171.82 2k62 n ASN 86 N 5.55 -5.57 0.00 0.00 5.15 -1.26 -0.73 115.26 118.40 2k62 n ASN 86 Ca -0.06 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2k62 n ASN 86 Cb 0.42 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k62 n GLY 87 N -0.70 3.12 3.68 8.20 0.00 -1.26 -5.01 105.19 113.22 2k62 n GLY 87 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.64 4.37 -0.89 1.61 2.20 0.09 -4.90 119.74 121.59 2k62 s LYS 88 Ca 0.00 1.51 -0.21 0.00 -0.36 0.00 0.00 55.97 56.91 2k62 s LYS 88 Cb 0.00 -3.57 0.10 0.00 -1.51 0.00 0.00 37.83 32.85 2k62 s LYS 88 CO 0.00 -0.41 1.18 -0.51 -0.36 0.00 0.00 175.35 175.25 2k62 s LEU 89 N 2.25 4.47 -0.08 5.43 1.43 -1.26 -0.78 118.68 130.14 2k62 s LEU 89 Ca 0.51 -1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 2k62 s LEU 89 Cb -0.21 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2k62 s LEU 89 CO 0.18 -1.28 0.24 -0.69 0.23 0.00 0.00 176.35 175.03 2k62 s VAL 90 N 3.63 5.34 0.16 -1.59 1.01 -1.05 -4.63 120.40 123.26 2k62 s VAL 90 Ca 0.34 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 2k62 s VAL 90 Cb -0.06 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2k62 s VAL 90 CO -0.05 0.60 0.49 0.28 0.00 0.00 0.00 175.10 176.43 2k62 s THR 91 N -1.00 0.04 -0.10 3.92 -1.32 -1.26 -2.51 115.64 113.41 2k62 s THR 91 Ca 0.18 -0.53 -0.15 0.00 -1.21 0.00 0.00 61.69 59.98 2k62 s THR 91 Cb -0.14 -1.29 0.04 0.00 -1.51 0.00 0.00 72.50 69.60 2k62 s THR 91 CO 0.07 -0.17 0.39 -0.75 -2.21 0.00 0.00 174.62 171.95 2k62 s LYS 92 N -3.82 0.56 0.00 7.08 2.20 -1.26 -3.97 119.74 120.54 2k62 s LYS 92 Ca 0.05 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2k62 s LYS 92 Cb 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 2k62 s LYS 92 CO -0.09 -0.11 0.00 0.43 -0.36 0.00 0.00 175.35 175.22 2k62 n SER 93 N 2.27 0.00 0.04 1.43 7.64 -0.68 -4.84 113.62 119.47 2k62 n SER 93 Ca -0.16 -0.95 -0.10 0.00 1.01 0.00 0.00 58.87 58.66 2k62 n SER 93 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 2k62 n SER 93 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2k62 h GLU 94 N 0.00 -0.21 -0.38 1.43 9.09 -2.02 -3.33 114.58 119.16 2k62 h GLU 94 Ca 0.00 0.01 -0.23 0.00 0.05 0.00 0.00 59.36 59.19 2k62 h GLU 94 Cb 0.00 0.05 -0.39 0.00 -1.65 0.00 0.00 28.75 26.76 2k62 h GLU 94 CO 0.00 -0.14 -1.08 1.63 0.05 0.00 0.00 179.01 179.47 2k62 n LYS 95 N -5.28 1.58 -4.00 1.06 5.02 -1.26 -5.06 118.16 110.22 2k62 n LYS 95 Ca -0.05 -3.31 -0.21 0.00 -2.02 0.00 0.00 58.31 52.72 2k62 n LYS 95 Cb 0.20 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 33.63 2k62 n LYS 95 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2k62 s PHE 96 N -3.37 0.72 0.06 2.13 5.36 -1.25 -4.47 117.98 117.15 2k62 s PHE 96 Ca 0.27 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.09 2k62 s PHE 96 Cb 0.33 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 42.27 2k62 s PHE 96 CO -0.05 -0.25 -0.14 -1.12 -1.46 0.00 0.00 175.22 172.20 2k62 s SER 97 N 1.33 1.60 -0.15 6.13 0.01 -1.26 -1.69 113.70 119.67 2k62 s SER 97 Ca -0.05 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 2k62 s SER 97 Cb -0.13 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.11 2k62 s SER 97 CO -0.02 -0.05 0.21 -2.28 0.41 0.00 0.00 173.24 171.51 2k62 s HIS 98 N -1.14 -0.27 0.22 2.43 2.46 -1.25 -2.19 115.29 115.55 2k62 s HIS 98 Ca -0.01 0.51 0.08 0.00 0.47 0.00 0.00 55.06 56.10 2k62 s HIS 98 Cb -0.09 -0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.06 2k62 s HIS 98 CO 0.02 -0.44 0.05 -2.00 -2.47 0.00 0.00 174.74 169.90 2k62 s GLU 99 N 2.33 2.52 -0.04 2.88 2.56 -1.02 -4.17 118.70 123.77 2k62 s GLU 99 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 54.97 53.84 2k62 s GLU 99 Cb -0.14 -2.37 0.03 0.00 2.00 0.00 0.00 34.13 33.65 2k62 s GLU 99 CO -0.09 0.42 -0.00 -0.65 -0.56 0.00 0.00 175.26 174.37 2k62 s GLN 100 N -3.37 0.42 -0.37 4.30 -1.52 -1.26 -2.80 119.66 115.06 2k62 s GLN 100 Ca 0.30 0.06 0.02 0.00 -1.95 0.00 0.00 55.36 53.79 2k62 s GLN 100 Cb -0.08 -0.62 0.11 0.00 -0.22 0.00 0.00 33.01 32.20 2k62 s GLN 100 CO 0.21 -0.16 0.13 -1.21 -0.25 0.00 0.00 175.29 174.01 2k62 s GLU 101 N 1.19 1.25 -0.26 2.91 0.41 0.11 -4.90 118.70 119.42 2k62 s GLU 101 Ca -0.07 -1.73 -0.03 0.00 -0.41 0.00 0.00 54.97 52.73 2k62 s GLU 101 Cb -0.13 -2.66 0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2k62 s GLU 101 CO -0.02 -1.02 -0.03 0.08 -0.49 0.00 0.00 175.26 173.79 2k62 s VAL 102 N 0.89 3.18 -0.08 2.63 1.01 -1.26 -0.58 120.40 126.18 2k62 s VAL 102 Ca 0.13 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2k62 s VAL 102 Cb -0.20 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2k62 s VAL 102 CO -0.11 0.20 0.07 -0.54 0.00 0.00 0.00 175.10 174.71 2k62 s LYS 103 N 1.38 -0.01 2.93 2.72 1.02 -0.15 -5.00 119.74 122.63 2k62 s LYS 103 Ca 0.01 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.23 2k62 s LYS 103 Cb -0.16 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 2k62 s LYS 103 CO -0.03 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2k62 n GLY 104 N 5.29 1.02 0.05 -3.33 0.00 -1.26 -1.54 105.19 105.42 2k62 n GLY 104 Ca -0.04 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 5.79 1.07 -4.47 1.61 3.02 -1.26 -5.05 115.26 115.98 2k62 n ASN 105 Ca 0.00 -1.72 -0.33 0.00 -0.03 0.00 0.00 54.58 52.50 2k62 n ASN 105 Cb 0.00 -0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 2k62 n ASN 105 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k62 s GLU 106 N -0.71 2.69 -0.12 3.52 8.01 -0.59 -3.54 118.70 127.97 2k62 s GLU 106 Ca 0.03 -0.67 -0.02 0.00 0.01 0.00 0.00 54.97 54.32 2k62 s GLU 106 Cb 0.03 -2.45 0.04 0.00 -4.31 0.00 0.00 34.13 27.43 2k62 s GLU 106 CO 0.00 0.56 0.01 1.41 0.01 0.00 0.00 175.26 177.25 2k62 s MET 107 N -0.55 0.71 0.03 1.61 -2.45 0.06 -0.98 119.30 117.72 2k62 s MET 107 Ca 0.08 -0.10 0.07 0.00 -1.25 0.00 0.00 55.69 54.49 2k62 s MET 107 Cb -0.12 -1.40 -0.02 0.00 1.25 0.00 0.00 34.83 34.54 2k62 s MET 107 CO 0.01 -0.41 -0.20 0.08 1.05 0.00 0.00 175.02 175.55 2k62 s VAL 108 N 1.91 1.61 0.01 10.11 1.01 0.25 -0.25 120.40 135.05 2k62 s VAL 108 Ca 0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2k62 s VAL 108 Cb -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2k62 s VAL 108 CO -0.06 0.27 0.07 -1.83 0.00 0.00 0.00 175.10 173.54 2k62 s GLU 109 N -0.97 0.41 -0.10 2.72 -1.05 -0.95 0.07 118.70 118.85 2k62 s GLU 109 Ca 0.07 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.44 2k62 s GLU 109 Cb -0.08 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.76 2k62 s GLU 109 CO 0.01 -0.09 -0.17 0.95 0.95 0.00 0.00 175.26 176.91 2k62 s THR 110 N -1.40 2.74 -0.06 1.83 -4.23 -1.12 -1.46 115.64 111.94 2k62 s THR 110 Ca -0.15 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2k62 s THR 110 Cb -0.08 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.67 2k62 s THR 110 CO 0.01 0.55 -0.11 0.27 -0.54 0.00 0.00 174.62 174.80 2k62 s ILE 111 N 0.02 1.03 -0.28 2.99 -4.36 -0.32 -2.45 121.20 117.84 2k62 s ILE 111 Ca -0.06 -0.42 -0.21 0.00 -0.26 0.00 0.00 60.65 59.70 2k62 s ILE 111 Cb -0.15 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.60 2k62 s ILE 111 CO 0.05 0.33 0.66 -0.89 0.24 0.00 0.00 174.94 175.32 2k62 s THR 112 N 0.67 4.94 -0.38 8.37 2.01 -0.93 0.00 115.64 130.32 2k62 s THR 112 Ca -0.14 1.06 0.02 0.00 0.31 0.00 0.00 61.69 62.94 2k62 s THR 112 Cb -0.15 -3.99 0.11 0.00 0.01 0.00 0.00 72.50 68.48 2k62 s THR 112 CO 0.03 -0.06 0.15 -0.36 -0.69 0.00 0.00 174.62 173.69 2k62 s PHE 113 N 2.60 2.36 0.00 4.92 0.08 0.18 -4.48 117.98 123.64 2k62 s PHE 113 Ca 0.27 -2.36 0.00 0.00 0.12 0.00 0.00 56.93 54.95 2k62 s PHE 113 Cb -0.15 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2k62 s PHE 113 CO 0.10 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.78 2k62 n GLY 114 N 4.12 1.70 0.26 4.36 0.00 -1.26 -2.81 105.19 111.57 2k62 n GLY 114 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 2.93 3.15 -0.02 0.00 -1.26 -5.01 105.19 104.98 2k62 n GLY 115 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.03 1.01 -0.13 1.61 0.11 -1.12 -5.14 120.40 115.72 2k62 s VAL 116 Ca 0.10 -1.19 -0.02 0.00 -2.93 0.00 0.00 61.98 57.94 2k62 s VAL 116 Cb 0.05 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2k62 s VAL 116 CO 0.06 -0.19 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.69 2k62 s THR 117 N -1.18 3.72 -0.09 5.04 2.01 -1.26 -0.64 115.64 123.24 2k62 s THR 117 Ca -0.02 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 2k62 s THR 117 Cb -0.09 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2k62 s THR 117 CO 0.02 0.53 0.22 -0.76 -0.69 0.00 0.00 174.62 173.94 2k62 s LEU 118 N 0.03 4.41 -0.30 4.42 2.01 0.10 -4.87 118.68 124.48 2k62 s LEU 118 Ca -0.01 0.61 0.02 0.00 0.01 0.00 0.00 54.13 54.76 2k62 s LEU 118 Cb -0.14 -2.23 0.07 0.00 0.01 0.00 0.00 46.19 43.91 2k62 s LEU 118 CO 0.03 0.38 -0.03 -0.63 1.01 0.00 0.00 176.35 177.11 2k62 s ILE 119 N -0.99 2.40 -0.26 -0.59 1.01 -1.26 -1.17 121.20 120.34 2k62 s ILE 119 Ca 0.17 -1.82 -0.14 0.00 0.00 0.00 0.00 60.65 58.86 2k62 s ILE 119 Cb -0.13 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2k62 s ILE 119 CO 0.07 -0.24 0.33 -0.60 0.00 0.00 0.00 174.94 174.49 2k62 s ARG 120 N 1.07 4.03 -0.34 2.79 6.06 -0.53 -4.78 118.95 127.24 2k62 s ARG 120 Ca -0.02 -0.03 -0.13 0.00 -2.50 0.00 0.00 55.73 53.05 2k62 s ARG 120 Cb -0.20 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.16 2k62 s ARG 120 CO -0.05 -0.21 0.26 1.03 -2.50 0.00 0.00 175.30 173.83 2k62 s ARG 121 N 1.86 3.51 0.03 5.12 0.52 -1.25 -2.23 118.95 126.51 2k62 s ARG 121 Ca 0.13 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 2k62 s ARG 121 Cb -0.16 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.48 2k62 s ARG 121 CO 0.09 -0.46 -0.25 -1.12 0.02 0.00 0.00 175.30 173.59 2k62 s SER 122 N 1.72 2.97 0.27 0.23 0.01 0.65 -0.82 113.70 118.73 2k62 s SER 122 Ca 0.07 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 2k62 s SER 122 Cb -0.17 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2k62 s SER 122 CO 0.11 0.25 0.27 -1.59 0.41 0.00 0.00 173.24 172.69 2k62 s LYS 123 N -1.06 1.52 -1.07 12.44 -2.85 -0.60 -0.76 119.74 127.35 2k62 s LYS 123 Ca 0.10 -1.72 -0.22 0.00 -1.00 0.00 0.00 55.97 53.13 2k62 s LYS 123 Cb -0.10 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.00 2k62 s LYS 123 CO 0.01 -0.56 1.77 -0.98 0.10 0.00 0.00 175.35 175.69 2k62 s ARG 124 N -3.75 3.09 0.00 1.78 1.70 -1.23 -0.22 118.95 120.31 2k62 s ARG 124 Ca 0.36 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 2k62 s ARG 124 Cb 0.04 -5.27 0.00 0.00 -0.57 0.00 0.00 34.95 29.14 2k62 s ARG 124 CO 0.18 -2.99 0.00 0.28 -1.08 0.00 0.00 175.30 171.69