#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 -1.80 0.00 7.35 -1.26 -4.90 117.46 116.85 2k62 n PHE 2 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 2k62 n PHE 2 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2k62 n PHE 2 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k62 s SER 3 N -0.86 5.10 0.29 -2.13 0.01 -1.26 -4.84 113.70 110.02 2k62 s SER 3 Ca 0.00 0.99 -0.07 0.00 1.31 0.00 0.00 55.95 58.18 2k62 s SER 3 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2k62 s SER 3 CO 0.00 -2.39 0.51 0.61 0.41 0.00 0.00 173.24 172.38 2k62 n GLY 4 N 5.77 1.74 3.12 3.44 0.00 -1.13 -4.92 105.19 113.21 2k62 n GLY 4 Ca 0.28 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 2k62 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k62 s THR 5 N -2.51 2.78 0.13 2.61 -4.23 -1.26 -0.83 115.64 112.33 2k62 s THR 5 Ca 0.18 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 2k62 s THR 5 Cb -0.02 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2k62 s THR 5 CO 0.13 -0.26 -0.14 0.26 -0.54 0.00 0.00 174.62 174.08 2k62 s TRP 6 N 1.16 2.62 -0.11 3.99 0.52 -0.72 -4.22 118.94 122.19 2k62 s TRP 6 Ca -0.02 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 55.90 2k62 s TRP 6 Cb -0.20 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 2k62 s TRP 6 CO -0.03 0.43 -0.17 -1.14 0.02 0.00 0.00 176.95 176.06 2k62 s GLN 7 N -2.36 2.39 0.13 4.98 2.00 0.42 -0.05 119.66 127.16 2k62 s GLN 7 Ca 0.21 -0.63 -0.26 0.00 -2.00 0.00 0.00 55.36 52.68 2k62 s GLN 7 Cb -0.10 -1.96 -0.07 0.00 0.80 0.00 0.00 33.01 31.68 2k62 s GLN 7 CO 0.13 -0.00 0.80 0.08 -0.50 0.00 0.00 175.29 175.79 2k62 s VAL 8 N 0.81 4.47 -0.00 1.34 1.01 -1.26 -0.83 120.40 125.95 2k62 s VAL 8 Ca -0.10 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2k62 s VAL 8 Cb -0.16 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2k62 s VAL 8 CO 0.01 0.45 0.69 0.00 0.00 0.00 0.00 175.10 176.25 2k62 n TYR 9 N 2.08 0.00 -3.46 5.22 0.18 -0.79 -4.84 117.16 115.55 2k62 n TYR 9 Ca -0.04 -0.05 -0.21 0.00 1.88 0.00 0.00 57.90 59.49 2k62 n TYR 9 Cb 0.49 -0.02 -0.01 0.00 -0.38 0.00 0.00 39.34 39.42 2k62 n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k62 s ALA 10 N -0.11 3.95 0.00 -3.48 0.00 -1.25 -4.95 121.76 115.92 2k62 s ALA 10 Ca 0.01 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 50.84 2k62 s ALA 10 Cb 0.01 -1.88 0.14 0.00 0.00 0.00 0.00 23.12 21.39 2k62 s ALA 10 CO 0.00 -0.05 0.99 0.94 0.00 0.00 0.00 175.76 177.65 2k62 n GLN 11 N -1.72 0.00 -2.13 0.00 7.27 -1.26 -4.90 117.38 114.64 2k62 n GLN 11 Ca -0.03 -1.19 -0.42 0.00 0.07 0.00 0.00 57.00 55.43 2k62 n GLN 11 Cb 0.57 -0.20 -0.03 0.00 2.41 0.00 0.00 30.24 33.00 2k62 n GLN 11 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k62 s GLU 12 N 0.00 4.24 -1.90 3.69 0.41 -1.26 -2.76 118.70 121.12 2k62 s GLU 12 Ca 0.11 2.06 0.00 0.00 -0.41 0.00 0.00 54.97 56.73 2k62 s GLU 12 Cb 0.12 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 2k62 s GLU 12 CO -0.05 -0.67 0.00 0.09 -0.49 0.00 0.00 175.26 174.14 2k62 n ASN 13 N 5.82 -5.20 0.02 -0.19 4.13 -1.26 -4.08 115.26 114.51 2k62 n ASN 13 Ca 0.14 0.41 -0.01 0.00 1.68 0.00 0.00 54.58 56.81 2k62 n ASN 13 Cb 0.43 -4.29 -0.01 0.00 -1.54 0.00 0.00 39.78 34.37 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 -0.07 0.00 3.10 5.03 -1.92 -2.87 116.97 120.24 2k62 h TYR 14 Ca -0.38 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.93 2k62 h TYR 14 Cb 1.20 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.50 2k62 h TYR 14 CO 0.51 -0.04 0.00 -0.85 -1.32 0.00 0.00 178.16 176.46 2k62 n GLU 15 N -2.32 0.22 0.10 1.82 -0.00 -1.26 -3.07 120.64 116.12 2k62 n GLU 15 Ca -0.01 0.14 -0.12 0.00 -0.00 0.00 0.00 57.16 57.18 2k62 n GLU 15 Cb 0.03 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 29.89 2k62 n GLU 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2k62 h GLU 16 N 0.00 -0.29 0.00 3.44 5.08 -1.90 -3.04 114.58 117.87 2k62 h GLU 16 Ca 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2k62 h GLU 16 Cb 0.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k62 h GLU 16 CO 0.00 0.09 -0.16 0.27 -1.00 0.00 0.00 179.01 178.21 2k62 h PHE 17 N -0.81 0.00 -0.35 4.33 -5.15 -1.54 -3.25 116.94 110.18 2k62 h PHE 17 Ca -0.03 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.75 2k62 h PHE 17 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.66 2k62 h PHE 17 CO 0.06 0.16 0.22 -0.07 -2.00 0.00 0.00 178.31 176.68 2k62 h LEU 18 N 0.00 0.37 0.00 2.10 3.38 -1.57 -0.55 115.31 119.05 2k62 h LEU 18 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k62 h LEU 18 Cb 0.97 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k62 h LEU 18 CO 0.02 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.11 2k62 n LYS 19 N -4.86 0.27 -0.02 1.13 5.02 -1.15 -1.48 118.16 117.08 2k62 n LYS 19 Ca -0.00 0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 2k62 n LYS 19 Cb 0.03 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.24 2.43 -2.56 7.82 0.00 -0.41 -4.90 120.51 121.64 2k62 n ALA 20 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2k62 n ALA 20 Cb 0.12 -0.26 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 1.28 0.00 0.00 0.00 177.50 178.78 2k62 n LEU 21 N 0.39 0.00 -1.84 0.00 4.77 -0.35 -4.78 117.00 115.19 2k62 n LEU 21 Ca 0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 2k62 n LEU 21 Cb 0.22 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 2k62 n LEU 21 CO 0.05 0.00 1.11 0.00 -1.33 0.00 0.00 177.39 177.22 2k62 n ALA 22 N -3.00 4.81 -3.80 -1.18 0.00 -1.26 -4.85 120.51 111.23 2k62 n ALA 22 Ca 0.00 -1.81 -0.34 0.00 0.00 0.00 0.00 53.44 51.29 2k62 n ALA 22 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.02 3.96 -0.12 0.00 1.02 -1.16 -4.97 118.68 115.40 2k62 s LEU 23 Ca 0.35 -1.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.04 2k62 s LEU 23 Cb 0.28 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.80 2k62 s LEU 23 CO 0.03 -0.27 2.49 -0.81 0.02 0.00 0.00 176.35 177.81 2k62 n PRO 24 N 4.54 1.57 0.00 1.29 -0.04 -1.26 -4.39 135.00 136.71 2k62 n PRO 24 Ca -0.11 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2k62 n PRO 24 Cb 0.43 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.43 0.00 -0.32 0.54 2.13 -1.26 -4.61 120.64 118.55 2k62 n GLU 25 Ca 0.22 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.18 2k62 n GLU 25 Cb 0.63 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.70 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 0.70 0.45 4.31 3.58 -2.00 0.17 116.42 123.63 2k62 h ASP 26 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k62 h ASP 26 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2k62 h ASP 26 CO 0.00 0.28 0.00 0.18 -2.88 0.00 0.00 179.24 176.82 2k62 n LEU 27 N -4.67 0.00 -0.27 2.28 4.77 -1.26 -2.89 117.00 114.96 2k62 n LEU 27 Ca 0.21 0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 56.55 2k62 n LEU 27 Cb 0.57 -0.40 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2k62 n LEU 27 CO 0.25 -0.18 1.06 0.40 -1.33 0.00 0.00 177.39 177.59 2k62 h ILE 28 N 0.00 1.26 -0.08 -0.08 2.04 -1.04 0.39 117.51 119.99 2k62 h ILE 28 Ca 0.00 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2k62 h ILE 28 Cb 0.23 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2k62 h ILE 28 CO 0.00 0.33 -0.16 0.11 0.00 0.00 0.00 178.15 178.43 2k62 h LYS 29 N 1.13 0.13 0.06 2.37 1.79 -1.69 -1.19 116.57 119.18 2k62 h LYS 29 Ca 0.26 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.45 2k62 h LYS 29 Cb 0.20 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2k62 h LYS 29 CO -0.02 0.29 -1.01 1.98 -1.08 0.00 0.00 179.45 179.61 2k62 h MET 30 N 0.13 0.57 -0.48 3.15 4.05 -1.50 -3.21 114.93 117.65 2k62 h MET 30 Ca 0.03 -0.70 -0.05 0.00 -0.28 0.00 0.00 59.70 58.69 2k62 h MET 30 Cb 0.36 0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2k62 h MET 30 CO 0.02 1.30 0.09 0.00 0.23 0.00 0.00 176.91 178.55 2k62 h ALA 31 N 0.30 0.64 0.00 0.39 0.00 -0.51 -2.33 119.26 117.75 2k62 h ALA 31 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k62 h ALA 31 Cb 1.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2k62 h ALA 31 CO 0.20 0.35 0.00 2.89 0.00 0.00 0.00 179.25 182.69 2k62 n ARG 32 N -4.45 0.04 0.00 0.00 1.85 -0.49 -1.61 116.66 112.00 2k62 n ARG 32 Ca 0.01 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.30 2k62 n ARG 32 Cb 0.24 -1.59 0.08 0.00 -1.05 0.00 0.00 32.46 30.14 2k62 n ARG 32 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2k62 n ASP 33 N -1.67 1.30 -4.50 2.89 2.03 -0.89 -4.82 116.55 110.89 2k62 n ASP 33 Ca 0.03 -1.05 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 2k62 n ASP 33 Cb 0.16 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.71 4.05 -0.42 5.18 -1.09 -0.64 -4.92 121.20 120.66 2k62 s ILE 34 Ca 0.16 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2k62 s ILE 34 Cb 0.18 -4.80 0.15 0.00 -1.58 0.00 0.00 42.46 36.41 2k62 s ILE 34 CO 0.66 -1.65 0.29 -0.54 -1.23 0.00 0.00 174.94 172.47 2k62 s LYS 35 N 4.82 0.96 0.46 2.79 1.02 -1.26 -5.06 119.74 123.47 2k62 s LYS 35 Ca 0.29 -1.92 0.08 0.00 0.02 0.00 0.00 55.97 54.44 2k62 s LYS 35 Cb -0.12 -1.67 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 2k62 s LYS 35 CO 0.12 -1.28 0.63 -1.25 -0.92 0.00 0.00 175.35 172.64 2k62 s PRO 36 N 0.34 2.70 -0.16 -1.68 0.04 -1.26 -4.97 135.00 130.00 2k62 s PRO 36 Ca 0.25 -1.30 -0.15 0.00 0.04 0.00 0.00 61.00 59.84 2k62 s PRO 36 Cb -0.10 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2k62 s PRO 36 CO -0.09 -0.42 0.34 0.42 0.04 0.00 0.00 177.00 177.28 2k62 s ILE 37 N -2.44 5.27 -0.60 0.56 1.01 -1.26 -4.09 121.20 119.65 2k62 s ILE 37 Ca 0.57 0.63 -0.21 0.00 0.00 0.00 0.00 60.65 61.63 2k62 s ILE 37 Cb -0.09 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.78 2k62 s ILE 37 CO 0.35 0.36 0.84 -0.69 0.00 0.00 0.00 174.94 175.80 2k62 s VAL 38 N 0.63 4.54 -0.47 2.92 1.01 0.93 -4.61 120.40 125.34 2k62 s VAL 38 Ca 0.18 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 2k62 s VAL 38 Cb -0.14 -4.55 0.04 0.00 0.00 0.00 0.00 36.38 31.74 2k62 s VAL 38 CO 0.05 -1.22 0.55 -1.61 0.00 0.00 0.00 175.10 172.88 2k62 s GLU 39 N 3.49 3.12 -0.19 2.72 2.02 -1.25 -1.75 118.70 126.86 2k62 s GLU 39 Ca 0.20 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 2k62 s GLU 39 Cb -0.18 -4.04 -0.05 0.00 0.10 0.00 0.00 34.13 29.96 2k62 s GLU 39 CO 0.11 -1.07 0.13 0.42 0.02 0.00 0.00 175.26 174.87 2k62 s ILE 40 N 2.43 5.42 0.02 -1.63 1.01 -0.01 -3.42 121.20 125.03 2k62 s ILE 40 Ca 0.14 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.01 2k62 s ILE 40 Cb -0.18 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2k62 s ILE 40 CO 0.13 0.46 -0.06 -1.10 0.00 0.00 0.00 174.94 174.38 2k62 s GLN 41 N 0.17 0.42 -0.08 2.79 -0.21 -0.70 -2.84 119.66 119.22 2k62 s GLN 41 Ca 0.09 -0.54 0.04 0.00 0.02 0.00 0.00 55.36 54.97 2k62 s GLN 41 Cb -0.11 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.68 2k62 s GLN 41 CO -0.01 0.04 -0.20 -1.14 -2.12 0.00 0.00 175.29 171.86 2k62 s GLN 42 N -1.10 2.49 -0.02 2.91 0.74 -1.26 -0.24 119.66 123.17 2k62 s GLN 42 Ca -0.08 -0.71 0.20 0.00 0.05 0.00 0.00 55.36 54.83 2k62 s GLN 42 Cb -0.07 -1.95 0.62 0.00 1.10 0.00 0.00 33.01 32.71 2k62 s GLN 42 CO -0.00 0.15 1.52 1.63 -0.55 0.00 0.00 175.29 178.04 2k62 n LYS 43 N 3.55 2.76 0.00 1.67 5.02 0.12 -4.98 118.16 126.29 2k62 n LYS 43 Ca -0.20 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 2k62 n LYS 43 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.51 2.17 0.04 0.72 0.00 -1.26 -4.48 105.19 103.89 2k62 n GLY 44 Ca 0.23 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 2.37 0.49 -4.38 1.61 2.03 -1.26 -4.93 116.55 112.47 2k62 n ASP 45 Ca 0.00 -0.08 -0.24 0.00 0.52 0.00 0.00 54.79 54.99 2k62 n ASP 45 Cb 0.00 1.14 -0.11 0.00 -0.72 0.00 0.00 41.12 41.42 2k62 n ASP 45 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2k62 s ASP 46 N -4.38 3.09 0.06 1.67 1.01 -1.26 -0.64 116.67 116.22 2k62 s ASP 46 Ca -0.01 -0.87 0.09 0.00 0.71 0.00 0.00 52.55 52.47 2k62 s ASP 46 Cb 0.13 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 2k62 s ASP 46 CO 0.84 0.04 -0.26 -0.36 0.21 0.00 0.00 175.17 175.64 2k62 s PHE 47 N -1.89 2.29 -0.16 4.23 0.08 -0.01 0.13 117.98 122.65 2k62 s PHE 47 Ca 0.19 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2k62 s PHE 47 Cb -0.07 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2k62 s PHE 47 CO 0.09 0.16 -0.10 0.08 -0.10 0.00 0.00 175.22 175.35 2k62 s VAL 48 N -0.85 1.39 0.00 -0.44 1.01 0.67 -2.12 120.40 120.06 2k62 s VAL 48 Ca 0.12 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2k62 s VAL 48 Cb -0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2k62 s VAL 48 CO 0.03 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 2k62 s VAL 49 N 1.53 1.36 -0.04 2.92 1.01 0.17 -1.71 120.40 125.63 2k62 s VAL 49 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2k62 s VAL 49 Cb -0.14 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2k62 s VAL 49 CO -0.09 0.30 -0.15 -0.89 0.00 0.00 0.00 175.10 174.27 2k62 s THR 50 N -0.53 1.30 -0.32 3.92 2.01 -1.22 0.43 115.64 121.23 2k62 s THR 50 Ca 0.06 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.46 2k62 s THR 50 Cb -0.07 -1.13 0.09 0.00 0.01 0.00 0.00 72.50 71.41 2k62 s THR 50 CO 0.00 0.38 0.03 -0.44 -0.69 0.00 0.00 174.62 173.90 2k62 s SER 51 N 0.14 4.63 -0.40 3.53 0.01 -0.88 -3.95 113.70 116.78 2k62 s SER 51 Ca -0.05 -1.97 -0.16 0.00 1.31 0.00 0.00 55.95 55.08 2k62 s SER 51 Cb -0.12 -1.54 0.01 0.00 0.21 0.00 0.00 66.02 64.58 2k62 s SER 51 CO 0.02 -0.35 0.38 -0.54 0.41 0.00 0.00 173.24 173.16 2k62 s LYS 52 N 1.00 3.20 0.39 12.44 1.02 -1.26 -3.25 119.74 133.27 2k62 s LYS 52 Ca 0.07 -0.73 0.08 0.00 0.02 0.00 0.00 55.97 55.41 2k62 s LYS 52 Cb -0.19 -3.92 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 2k62 s LYS 52 CO -0.09 -0.74 -0.02 0.95 -0.92 0.00 0.00 175.35 174.53 2k62 s THR 53 N 2.00 2.09 -2.00 2.17 -4.23 -0.91 -4.56 115.64 110.19 2k62 s THR 53 Ca 0.10 -2.06 0.13 0.00 -1.18 0.00 0.00 61.69 58.68 2k62 s THR 53 Cb -0.17 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.15 2k62 s THR 53 CO 0.12 -0.07 1.28 -0.81 -0.54 0.00 0.00 174.62 174.61 2k62 n PRO 54 N -0.92 0.69 0.04 3.99 -0.04 -1.26 -4.00 135.00 133.50 2k62 n PRO 54 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2k62 n PRO 54 Cb 0.66 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.80 0.00 -4.40 0.54 3.00 -1.26 -5.12 116.66 108.62 2k62 n ARG 55 Ca 0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.75 2k62 n ARG 55 Cb 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 32.46 32.04 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 -1.74 1.50 -0.12 -0.14 -1.52 -1.26 -5.16 119.66 111.22 2k62 s GLN 56 Ca 0.00 -1.78 -0.07 0.00 -1.95 0.00 0.00 55.36 51.56 2k62 s GLN 56 Cb 0.00 -0.90 0.05 0.00 -0.22 0.00 0.00 33.01 31.94 2k62 s GLN 56 CO 0.00 -0.07 0.30 0.99 -0.25 0.00 0.00 175.29 176.26 2k62 s THR 57 N -3.22 -0.03 0.03 -0.19 2.01 -1.26 -2.15 115.64 110.83 2k62 s THR 57 Ca 0.31 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 2k62 s THR 57 Cb 0.06 -0.45 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2k62 s THR 57 CO 0.12 0.04 0.43 0.54 -0.69 0.00 0.00 174.62 175.06 2k62 s VAL 58 N 1.10 0.05 -0.05 3.82 0.11 -1.20 -5.02 120.40 119.21 2k62 s VAL 58 Ca -0.08 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2k62 s VAL 58 Cb -0.08 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2k62 s VAL 58 CO -0.08 -0.22 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.56 2k62 s THR 59 N -2.18 4.13 -0.16 5.04 2.01 -1.26 -2.07 115.64 121.14 2k62 s THR 59 Ca -0.07 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2k62 s THR 59 Cb -0.01 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.74 2k62 s THR 59 CO -0.00 0.51 -0.19 0.20 -0.69 0.00 0.00 174.62 174.45 2k62 s ASN 60 N -1.14 3.02 -0.27 3.53 0.02 0.17 -4.65 114.94 115.62 2k62 s ASN 60 Ca 0.16 -0.60 0.02 0.00 -1.02 0.00 0.00 52.86 51.41 2k62 s ASN 60 Cb -0.11 -1.41 0.07 0.00 0.02 0.00 0.00 41.25 39.82 2k62 s ASN 60 CO 0.05 0.01 -0.04 -0.44 0.02 0.00 0.00 177.10 176.71 2k62 s SER 61 N 1.18 4.20 -0.06 -1.22 0.01 -1.26 -0.66 113.70 115.90 2k62 s SER 61 Ca 0.01 -1.45 0.05 0.00 1.31 0.00 0.00 55.95 55.87 2k62 s SER 61 Cb -0.14 -1.34 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 2k62 s SER 61 CO -0.09 -0.26 -0.19 0.72 0.41 0.00 0.00 173.24 173.83 2k62 s PHE 62 N 1.24 2.58 0.00 2.43 -0.71 -0.90 -4.41 117.98 118.21 2k62 s PHE 62 Ca -0.03 -0.42 -0.15 0.00 -1.04 0.00 0.00 56.93 55.29 2k62 s PHE 62 Cb -0.19 -1.63 -0.06 0.00 -1.21 0.00 0.00 43.02 39.94 2k62 s PHE 62 CO -0.08 -0.02 0.42 0.99 -1.34 0.00 0.00 175.22 175.20 2k62 s THR 63 N -0.41 5.01 -0.24 -4.49 2.01 -1.26 -0.83 115.64 115.43 2k62 s THR 63 Ca 0.04 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 62.66 2k62 s THR 63 Cb -0.12 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 2k62 s THR 63 CO 0.02 0.57 0.84 -0.76 -0.69 0.00 0.00 174.62 174.60 2k62 s LEU 64 N -1.05 4.09 0.00 4.42 1.43 0.19 -3.89 118.68 123.87 2k62 s LEU 64 Ca 0.24 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2k62 s LEU 64 Cb -0.17 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2k62 s LEU 64 CO 0.14 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2k62 n GLY 65 N 3.72 2.84 2.64 -3.19 0.00 0.85 -4.94 105.19 107.12 2k62 n GLY 65 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.26 0.76 -2.50 1.61 4.01 -1.25 -4.91 118.16 115.62 2k62 n LYS 66 Ca 0.00 -2.16 -0.41 0.00 -0.51 0.00 0.00 58.31 55.23 2k62 n LYS 66 Cb 0.00 -0.10 -0.04 0.00 -0.51 0.00 0.00 35.03 34.38 2k62 n LYS 66 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2k62 s GLU 67 N -3.75 4.57 -0.07 1.97 2.02 -1.26 -4.30 118.70 117.88 2k62 s GLU 67 Ca 0.38 1.73 0.04 0.00 0.02 0.00 0.00 54.97 57.14 2k62 s GLU 67 Cb -0.03 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2k62 s GLU 67 CO 0.24 0.03 -0.20 0.00 0.02 0.00 0.00 175.26 175.36 2k62 s ALA 68 N -0.11 1.78 -0.65 5.21 0.00 -0.21 -4.55 121.76 123.23 2k62 s ALA 68 Ca 0.50 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 2k62 s ALA 68 Cb -0.29 -0.64 0.16 0.00 0.00 0.00 0.00 23.12 22.34 2k62 s ALA 68 CO 0.34 0.27 0.61 -0.51 0.00 0.00 0.00 175.76 176.47 2k62 s ASP 69 N 0.23 6.40 -0.37 0.00 1.01 -1.26 -1.62 116.67 121.06 2k62 s ASP 69 Ca -0.11 -2.10 -0.24 0.00 0.71 0.00 0.00 52.55 50.81 2k62 s ASP 69 Cb -0.15 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2k62 s ASP 69 CO 0.05 -0.77 0.83 -0.63 0.21 0.00 0.00 175.17 174.86 2k62 s ILE 70 N 1.14 4.68 -0.73 0.77 -1.09 -0.57 -4.66 121.20 120.73 2k62 s ILE 70 Ca 0.09 0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 59.32 2k62 s ILE 70 Cb -0.23 -4.26 0.17 0.00 -1.58 0.00 0.00 42.46 36.57 2k62 s ILE 70 CO -0.01 -0.48 0.73 -0.89 -1.23 0.00 0.00 174.94 173.06 2k62 s THR 71 N 3.24 5.30 0.85 2.92 2.01 -1.26 0.11 115.64 128.80 2k62 s THR 71 Ca 0.34 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 2k62 s THR 71 Cb -0.13 -4.48 0.10 0.00 0.01 0.00 0.00 72.50 68.01 2k62 s THR 71 CO 0.18 -1.06 1.09 0.28 -0.69 0.00 0.00 174.62 174.42 2k62 s THR 72 N 1.18 2.91 -0.21 -0.82 -1.32 -0.96 -4.70 115.64 111.72 2k62 s THR 72 Ca 0.15 0.30 0.25 0.00 -1.21 0.00 0.00 61.69 61.17 2k62 s THR 72 Cb -0.16 -2.78 0.25 0.00 -1.51 0.00 0.00 72.50 68.29 2k62 s THR 72 CO -0.04 -0.39 1.75 0.00 -2.21 0.00 0.00 174.62 173.73 2k62 h MET 73 N -1.39 0.00 0.00 7.08 -0.00 -1.94 -1.48 114.93 117.20 2k62 h MET 73 Ca -0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.19 2k62 h MET 73 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.86 2k62 h MET 73 CO 0.53 0.00 -0.17 -0.44 -0.00 0.00 0.00 176.91 176.83 2k62 h ASP 74 N 0.00 0.00 0.00 -0.10 5.19 -2.01 -3.47 116.42 116.04 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 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2k62 h ASP 74 CO 0.00 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 2k62 n GLY 75 N -1.03 1.12 3.34 2.75 0.00 -0.56 -5.10 105.19 105.71 2k62 n GLY 75 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.24 1.29 0.17 1.61 -2.85 -1.26 -5.01 119.74 113.45 2k62 s LYS 76 Ca 0.00 -1.47 -0.02 0.00 -1.00 0.00 0.00 55.97 53.47 2k62 s LYS 76 Cb 0.00 -1.25 -0.05 0.00 -2.06 0.00 0.00 37.83 34.47 2k62 s LYS 76 CO 0.00 0.24 0.37 -1.59 0.10 0.00 0.00 175.35 174.47 2k62 s LYS 77 N -3.10 3.55 -0.30 1.78 -2.85 -1.26 -2.27 119.74 115.29 2k62 s LYS 77 Ca 0.18 -0.25 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 2k62 s LYS 77 Cb -0.04 -2.86 0.10 0.00 -2.06 0.00 0.00 37.83 32.98 2k62 s LYS 77 CO 0.07 0.44 0.14 -1.17 0.10 0.00 0.00 175.35 174.93 2k62 s LEU 78 N -2.99 0.70 -0.53 2.77 2.96 0.12 -4.97 118.68 116.74 2k62 s LEU 78 Ca 0.39 -1.40 -0.28 0.00 -0.22 0.00 0.00 54.13 52.63 2k62 s LEU 78 Cb -0.12 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.21 2k62 s LEU 78 CO 0.27 -0.43 1.12 -0.75 -1.32 0.00 0.00 176.35 175.24 2k62 s LYS 79 N 1.97 3.56 0.25 1.98 2.36 -1.26 -1.52 119.74 127.08 2k62 s LYS 79 Ca 0.10 0.27 0.03 0.00 -2.55 0.00 0.00 55.97 53.82 2k62 s LYS 79 Cb -0.17 -3.98 -0.05 0.00 -1.05 0.00 0.00 37.83 32.58 2k62 s LYS 79 CO -0.33 -1.52 0.04 0.00 1.55 0.00 0.00 175.35 175.09 2k62 s THR 81 N -3.51 2.13 -0.12 0.00 2.01 -1.26 -1.05 115.64 113.84 2k62 s THR 81 Ca 0.32 -1.87 -0.04 0.00 0.31 0.00 0.00 61.69 60.41 2k62 s THR 81 Cb 0.07 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2k62 s THR 81 CO 0.11 -0.27 0.03 0.54 -0.69 0.00 0.00 174.62 174.33 2k62 s VAL 82 N 1.06 4.50 -0.01 3.82 0.11 -1.26 -4.54 120.40 124.08 2k62 s VAL 82 Ca -0.01 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 2k62 s VAL 82 Cb -0.19 -2.94 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2k62 s VAL 82 CO -0.07 0.56 -0.26 -1.38 -3.33 0.00 0.00 175.10 170.62 2k62 s HIS 83 N -0.44 2.33 -0.28 1.54 -3.43 -0.77 -0.10 115.29 114.14 2k62 s HIS 83 Ca 0.09 -0.44 -0.22 0.00 -0.80 0.00 0.00 55.06 53.69 2k62 s HIS 83 Cb -0.12 -1.48 -0.01 0.00 -1.43 0.00 0.00 32.58 29.54 2k62 s HIS 83 CO 0.02 -0.02 0.70 -1.17 -2.00 0.00 0.00 174.74 172.27 2k62 s LEU 84 N -0.69 4.09 -0.38 5.38 2.96 -1.26 -2.10 118.68 126.67 2k62 s LEU 84 Ca 0.10 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2k62 s LEU 84 Cb -0.10 -2.95 0.11 0.00 0.50 0.00 0.00 46.19 43.76 2k62 s LEU 84 CO -0.01 -0.48 0.15 0.00 -1.32 0.00 0.00 176.35 174.70 2k62 s ALA 85 N 2.69 2.23 -1.43 5.97 0.00 0.02 -4.79 121.76 126.44 2k62 s ALA 85 Ca 0.29 -2.34 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 2k62 s ALA 85 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2k62 s ALA 85 CO 0.10 -1.84 0.27 -1.71 0.00 0.00 0.00 175.76 172.59 2k62 n ASN 86 N 4.11 -5.36 0.00 0.00 5.15 -1.26 -1.54 115.26 116.36 2k62 n ASN 86 Ca 0.03 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2k62 n ASN 86 Cb 0.38 -4.31 0.00 0.00 -0.53 0.00 0.00 39.78 35.33 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 -1.23 2.15 3.66 8.20 0.00 -1.26 -5.02 105.19 111.70 2k62 n GLY 87 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.67 4.21 -0.51 1.61 2.20 -0.59 -4.95 119.74 121.03 2k62 s LYS 88 Ca 0.00 0.54 -0.22 0.00 -0.36 0.00 0.00 55.97 55.93 2k62 s LYS 88 Cb 0.00 -3.57 0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2k62 s LYS 88 CO 0.00 -0.20 0.79 -0.51 -0.36 0.00 0.00 175.35 175.07 2k62 s LEU 89 N 1.78 4.45 -0.16 5.43 1.02 -1.26 -0.80 118.68 129.13 2k62 s LEU 89 Ca 0.27 -0.51 -0.06 0.00 0.02 0.00 0.00 54.13 53.85 2k62 s LEU 89 Cb -0.16 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 2k62 s LEU 89 CO 0.10 -1.03 0.05 -0.69 0.02 0.00 0.00 176.35 174.80 2k62 s VAL 90 N 3.31 4.73 -0.12 -1.59 1.01 -0.89 -4.43 120.40 122.42 2k62 s VAL 90 Ca 0.24 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2k62 s VAL 90 Cb -0.15 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2k62 s VAL 90 CO 0.17 0.50 0.40 0.28 0.00 0.00 0.00 175.10 176.45 2k62 s THR 91 N 0.01 0.01 -0.03 3.92 -1.32 -1.26 -1.84 115.64 115.14 2k62 s THR 91 Ca 0.05 -0.11 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 2k62 s THR 91 Cb -0.12 -0.60 0.03 0.00 -1.51 0.00 0.00 72.50 70.29 2k62 s THR 91 CO 0.01 -0.06 0.07 -0.54 -2.21 0.00 0.00 174.62 171.89 2k62 s LYS 92 N -0.20 0.02 0.08 7.08 1.02 -1.26 -3.42 119.74 123.07 2k62 s LYS 92 Ca -0.04 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2k62 s LYS 92 Cb -0.03 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 2k62 s LYS 92 CO 0.02 -0.13 0.01 0.43 -0.92 0.00 0.00 175.35 174.76 2k62 n SER 93 N 3.91 2.03 0.21 2.83 7.64 -0.87 -4.91 113.62 124.47 2k62 n SER 93 Ca -0.24 -1.35 0.06 0.00 1.01 0.00 0.00 58.87 58.35 2k62 n SER 93 Cb 0.53 0.04 0.47 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.00 -0.63 1.43 9.09 -2.02 -3.33 114.58 119.12 2k62 h GLU 94 Ca -0.07 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.03 2k62 h GLU 94 Cb 0.21 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 27.07 2k62 h GLU 94 CO 0.11 0.29 -0.70 1.17 0.05 0.00 0.00 179.01 179.93 2k62 n LYS 95 N -3.91 1.04 -3.64 1.06 4.81 -1.26 -5.10 118.16 111.16 2k62 n LYS 95 Ca -0.02 -2.42 -0.05 0.00 -0.87 0.00 0.00 58.31 54.95 2k62 n LYS 95 Cb 0.36 -1.09 -0.06 0.00 0.02 0.00 0.00 35.03 34.26 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 -0.76 -1.07 -0.10 5.64 5.36 -1.25 -4.86 117.98 120.94 2k62 s PHE 96 Ca 0.27 2.06 0.01 0.00 -0.96 0.00 0.00 56.93 58.31 2k62 s PHE 96 Cb 0.34 0.64 0.02 0.00 -0.34 0.00 0.00 43.02 43.68 2k62 s PHE 96 CO -0.06 -0.53 -0.10 -1.12 -1.46 0.00 0.00 175.22 171.96 2k62 s SER 97 N 1.89 2.04 -0.12 6.13 0.01 -1.26 -2.05 113.70 120.34 2k62 s SER 97 Ca -0.09 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2k62 s SER 97 Cb -0.06 -0.85 0.02 0.00 0.21 0.00 0.00 66.02 65.33 2k62 s SER 97 CO -0.19 -0.05 -0.16 -2.28 0.41 0.00 0.00 173.24 170.96 2k62 s HIS 98 N 1.27 2.12 0.24 2.43 2.46 -1.22 -4.14 115.29 118.45 2k62 s HIS 98 Ca -0.03 -1.06 0.10 0.00 0.47 0.00 0.00 55.06 54.55 2k62 s HIS 98 Cb -0.14 -1.52 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 2k62 s HIS 98 CO -0.04 -0.54 -0.11 -2.00 -2.47 0.00 0.00 174.74 169.59 2k62 s GLU 99 N 1.07 1.98 -0.09 2.88 2.56 -1.23 -4.10 118.70 121.76 2k62 s GLU 99 Ca -0.04 -1.48 -0.02 0.00 0.00 0.00 0.00 54.97 53.43 2k62 s GLU 99 Cb -0.15 -2.02 0.03 0.00 2.00 0.00 0.00 34.13 34.00 2k62 s GLU 99 CO -0.04 0.38 0.01 -0.65 -0.56 0.00 0.00 175.26 174.40 2k62 s GLN 100 N -3.28 0.62 -0.20 4.30 -1.52 -1.26 -3.29 119.66 115.03 2k62 s GLN 100 Ca 0.28 0.02 0.01 0.00 -1.95 0.00 0.00 55.36 53.71 2k62 s GLN 100 Cb -0.07 -1.18 0.05 0.00 -0.22 0.00 0.00 33.01 31.59 2k62 s GLN 100 CO 0.16 -0.36 -0.08 -1.21 -0.25 0.00 0.00 175.29 173.55 2k62 s GLU 101 N 1.95 1.83 -0.25 2.91 0.41 -0.61 -4.79 118.70 120.16 2k62 s GLU 101 Ca 0.04 -0.80 0.01 0.00 -0.41 0.00 0.00 54.97 53.81 2k62 s GLU 101 Cb -0.13 -2.36 0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2k62 s GLU 101 CO -0.06 -0.46 -0.10 0.08 -0.49 0.00 0.00 175.26 174.24 2k62 s VAL 102 N 1.45 2.48 -0.35 2.63 1.01 -1.26 -0.28 120.40 126.07 2k62 s VAL 102 Ca -0.02 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.72 2k62 s VAL 102 Cb -0.16 -2.32 0.10 0.00 0.00 0.00 0.00 36.38 34.00 2k62 s VAL 102 CO -0.08 0.14 0.07 -0.54 0.00 0.00 0.00 175.10 174.69 2k62 s LYS 103 N 1.23 1.44 0.84 2.72 3.01 -0.02 -4.97 119.74 123.99 2k62 s LYS 103 Ca -0.03 -1.86 0.00 0.00 -1.01 0.00 0.00 55.97 53.07 2k62 s LYS 103 Cb -0.18 -3.09 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 2k62 s LYS 103 CO -0.06 -0.96 0.00 0.41 0.51 0.00 0.00 175.35 175.25 2k62 n GLY 104 N 4.21 1.72 1.00 -3.33 0.00 -1.26 -2.64 105.19 104.89 2k62 n GLY 104 Ca 0.04 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 4.33 0.55 -3.90 1.61 3.02 -1.26 -5.06 115.26 114.54 2k62 n ASN 105 Ca 0.00 -2.03 -0.18 0.00 -0.03 0.00 0.00 54.58 52.34 2k62 n ASN 105 Cb 0.00 -0.26 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.07 0.60 -0.13 3.52 2.12 -1.08 -2.43 118.70 121.23 2k62 s GLU 106 Ca 0.18 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.42 2k62 s GLU 106 Cb 0.20 -0.64 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 2k62 s GLU 106 CO -0.09 -0.03 -0.17 1.41 -0.54 0.00 0.00 175.26 175.85 2k62 s MET 107 N 0.61 3.24 -0.13 4.30 -2.45 0.40 -0.84 119.30 124.41 2k62 s MET 107 Ca -0.07 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.61 2k62 s MET 107 Cb -0.11 -2.54 0.02 0.00 1.25 0.00 0.00 34.83 33.46 2k62 s MET 107 CO -0.00 0.14 -0.12 0.08 1.05 0.00 0.00 175.02 176.17 2k62 s VAL 108 N 0.51 1.36 0.24 10.11 1.01 0.62 -0.95 120.40 133.30 2k62 s VAL 108 Ca -0.11 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.44 2k62 s VAL 108 Cb -0.16 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2k62 s VAL 108 CO 0.04 0.42 -0.09 -1.83 0.00 0.00 0.00 175.10 173.65 2k62 s GLU 109 N 1.55 1.44 -0.10 2.72 -1.05 -1.24 -1.57 118.70 120.45 2k62 s GLU 109 Ca 0.05 -1.69 0.02 0.00 -0.15 0.00 0.00 54.97 53.19 2k62 s GLU 109 Cb -0.13 -1.09 -0.01 0.00 -0.44 0.00 0.00 34.13 32.47 2k62 s GLU 109 CO -0.09 0.08 -0.18 0.99 0.95 0.00 0.00 175.26 177.01 2k62 s THR 110 N -3.04 2.64 0.06 1.83 2.01 -1.21 -3.32 115.64 114.61 2k62 s THR 110 Ca 0.26 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.51 2k62 s THR 110 Cb 0.02 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2k62 s THR 110 CO 0.09 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.75 2k62 s ILE 111 N 0.18 1.52 -0.19 1.82 1.01 -0.56 -3.50 121.20 121.48 2k62 s ILE 111 Ca -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 2k62 s ILE 111 Cb -0.16 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2k62 s ILE 111 CO 0.06 0.07 -0.12 -0.89 0.00 0.00 0.00 174.94 174.06 2k62 s THR 112 N -0.93 2.79 -0.08 2.92 2.01 -1.26 0.10 115.64 121.19 2k62 s THR 112 Ca 0.05 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2k62 s THR 112 Cb -0.09 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2k62 s THR 112 CO 0.02 0.48 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.00 2k62 s PHE 113 N 1.22 1.28 0.00 4.92 0.08 -0.44 -4.88 117.98 120.16 2k62 s PHE 113 Ca 0.02 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2k62 s PHE 113 Cb -0.14 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2k62 s PHE 113 CO -0.05 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.11 2k62 n GLY 114 N 4.47 2.00 0.38 4.36 0.00 -1.26 -2.52 105.19 112.62 2k62 n GLY 114 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.86 2.95 -0.02 0.00 -1.26 -5.12 105.19 102.60 2k62 n GLY 115 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.07 0.09 1.61 0.11 -1.05 -5.15 120.40 116.08 2k62 s VAL 116 Ca 0.00 -0.54 -0.08 0.00 -2.93 0.00 0.00 61.98 58.43 2k62 s VAL 116 Cb 0.00 -0.18 -0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2k62 s VAL 116 CO 0.00 -0.30 0.38 -0.89 -3.33 0.00 0.00 175.10 170.96 2k62 s THR 117 N -0.89 5.14 0.15 5.04 2.01 -1.26 -1.32 115.64 124.50 2k62 s THR 117 Ca -0.10 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2k62 s THR 117 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2k62 s THR 117 CO -0.00 0.22 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.53 2k62 s LEU 118 N -2.11 2.45 -0.04 4.42 2.34 0.12 -4.93 118.68 120.92 2k62 s LEU 118 Ca 0.35 -0.88 0.03 0.00 0.06 0.00 0.00 54.13 53.68 2k62 s LEU 118 Cb -0.13 -0.58 0.01 0.00 -0.56 0.00 0.00 46.19 44.92 2k62 s LEU 118 CO 0.20 -0.16 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.59 2k62 s ILE 119 N -2.44 0.92 -0.04 1.48 1.01 -1.26 -1.49 121.20 119.38 2k62 s ILE 119 Ca 0.13 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2k62 s ILE 119 Cb -0.03 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.62 2k62 s ILE 119 CO 0.04 0.29 -0.09 -0.13 0.00 0.00 0.00 174.94 175.05 2k62 s ARG 120 N 0.35 1.05 -0.16 2.79 1.81 -1.21 -4.12 118.95 119.45 2k62 s ARG 120 Ca -0.07 -0.28 -0.18 0.00 -1.72 0.00 0.00 55.73 53.48 2k62 s ARG 120 Cb -0.11 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 2k62 s ARG 120 CO 0.01 0.06 0.50 1.03 -0.68 0.00 0.00 175.30 176.23 2k62 s ARG 121 N 0.40 4.26 -0.22 3.54 0.52 -1.26 -3.63 118.95 122.56 2k62 s ARG 121 Ca -0.07 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 2k62 s ARG 121 Cb -0.11 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 31.89 2k62 s ARG 121 CO 0.01 -0.01 -0.15 -1.12 0.02 0.00 0.00 175.30 174.04 2k62 s SER 122 N 0.92 3.77 0.70 0.23 0.01 -0.12 -1.88 113.70 117.32 2k62 s SER 122 Ca 0.25 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.54 2k62 s SER 122 Cb -0.15 -1.53 0.13 0.00 0.21 0.00 0.00 66.02 64.68 2k62 s SER 122 CO 0.10 -0.09 0.91 2.29 0.41 0.00 0.00 173.24 176.86 2k62 n LYS 123 N 4.55 0.01 -0.39 12.44 2.85 -0.01 -0.45 118.16 137.15 2k62 n LYS 123 Ca -0.18 -2.55 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 2k62 n LYS 123 Cb 0.47 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 34.27 2k62 n LYS 123 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2k62 n ARG 124 N -2.66 0.91 -0.64 -1.58 0.00 -1.02 -0.44 116.66 111.24 2k62 n ARG 124 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2k62 n ARG 124 Cb 0.55 -1.04 0.00 0.00 -0.00 0.00 0.00 32.46 31.96 2k62 n ARG 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91