#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 s GLU 2 N 0.00 4.22 0.51 1.64 2.12 -1.26 -5.01 118.70 120.92 2k11 s GLU 2 Ca 0.00 1.85 0.02 0.00 0.36 0.00 0.00 54.97 57.20 2k11 s GLU 2 Cb 0.00 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 2k11 s GLU 2 CO 0.00 -0.75 0.07 0.45 -0.54 0.00 0.00 175.26 174.50 2k11 s SER 3 N 2.43 4.22 0.04 -1.70 0.15 -1.26 -5.06 113.70 112.52 2k11 s SER 3 Ca 0.61 -1.57 -0.25 0.00 0.70 0.00 0.00 55.95 55.44 2k11 s SER 3 Cb -0.26 0.46 -0.17 0.00 -1.71 0.00 0.00 66.02 64.34 2k11 s SER 3 CO 0.20 -0.88 1.46 -0.09 1.20 0.00 0.00 173.24 175.13 2k11 h ARG 4 N 1.26 -0.21 -1.50 5.44 2.43 -2.03 -2.82 114.38 116.95 2k11 h ARG 4 Ca -0.43 0.01 0.46 0.00 -0.81 0.00 0.00 59.98 59.22 2k11 h ARG 4 Cb 1.31 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.81 2k11 h ARG 4 CO 0.71 0.03 1.03 0.00 -1.51 0.00 0.00 179.97 180.23 2k11 h ALA 5 N 0.35 3.12 -0.66 2.80 0.00 -1.94 0.62 119.26 123.55 2k11 h ALA 5 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2k11 h ALA 5 Cb 0.35 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2k11 h ALA 5 CO 0.04 -1.70 0.31 -0.22 0.00 0.00 0.00 179.25 177.68 2k11 h LYS 6 N 0.06 0.53 -0.93 0.00 3.11 -1.86 -0.90 116.57 116.58 2k11 h LYS 6 Ca 0.82 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 58.72 2k11 h LYS 6 Cb 2.89 -0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 33.93 2k11 h LYS 6 CO -0.24 0.35 0.60 0.87 -2.81 0.00 0.00 179.45 178.22 2k11 h LYS 7 N 0.54 0.97 -0.12 1.90 6.56 0.12 -2.01 116.57 124.54 2k11 h LYS 7 Ca 0.33 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.85 2k11 h LYS 7 Cb 0.34 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2k11 h LYS 7 CO -0.27 0.64 0.05 0.35 -2.06 0.00 0.00 179.45 178.17 2k11 h PHE 8 N 1.00 0.17 0.17 -1.35 3.57 -1.21 -2.36 116.94 116.94 2k11 h PHE 8 Ca 0.42 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2k11 h PHE 8 Cb 0.31 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k11 h PHE 8 CO -0.00 0.24 -0.12 1.96 -2.23 0.00 0.00 178.31 178.16 2k11 h GLN 9 N 0.06 -0.26 0.00 1.11 7.50 -0.94 -0.52 115.11 122.05 2k11 h GLN 9 Ca 0.04 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.21 2k11 h GLN 9 Cb 0.14 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.73 2k11 h GLN 9 CO -0.00 -0.18 0.62 0.00 -1.50 0.00 0.00 178.83 177.77 2k11 h ARG 10 N -0.27 0.00 0.00 1.46 3.08 -1.46 0.73 114.38 117.91 2k11 h ARG 10 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k11 h ARG 10 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2k11 h ARG 10 CO 0.02 0.00 -0.01 1.96 -1.07 0.00 0.00 179.97 180.86 2k11 h GLN 11 N 0.00 0.00 0.00 0.04 4.20 -0.76 -3.44 115.11 115.15 2k11 h GLN 11 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 2k11 h GLN 11 Cb 1.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 2k11 h GLN 11 CO 0.00 0.00 -1.82 0.72 -0.67 0.00 0.00 178.83 177.06 2k11 n HIS 12 N -3.48 0.20 -1.52 2.96 8.25 -0.29 -4.87 115.22 116.47 2k11 n HIS 12 Ca -0.00 0.08 -0.40 0.00 -0.26 0.00 0.00 57.72 57.14 2k11 n HIS 12 Cb 0.01 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.18 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2k11 n MET 13 N -4.36 0.74 -0.13 -0.41 2.81 0.24 -1.92 117.12 114.09 2k11 n MET 13 Ca -0.37 0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.65 2k11 n MET 13 Cb 0.72 -2.65 0.13 0.00 -0.71 0.00 0.00 33.22 30.71 2k11 n MET 13 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k11 n ASP 14 N 13.05 2.58 -0.33 7.83 -0.08 0.33 -4.16 116.55 135.76 2k11 n ASP 14 Ca 0.47 -2.81 0.28 0.00 -1.51 0.00 0.00 54.79 51.22 2k11 n ASP 14 Cb 0.32 -0.36 0.46 0.00 2.34 0.00 0.00 41.12 43.89 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k11 n SER 15 N -0.99 0.12 -0.19 1.67 3.41 0.84 -0.32 113.62 118.17 2k11 n SER 15 Ca 0.14 0.89 -0.08 0.00 -0.26 0.00 0.00 58.87 59.55 2k11 n SER 15 Cb 0.60 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 2k11 n SER 15 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k11 h ASP 16 N 0.00 -1.32 -3.98 4.04 5.19 -1.86 -3.41 116.42 115.08 2k11 h ASP 16 Ca 0.59 0.19 -0.49 0.00 -0.62 0.00 0.00 57.03 56.69 2k11 h ASP 16 Cb 1.96 0.56 0.19 0.00 0.18 0.00 0.00 39.33 42.23 2k11 h ASP 16 CO -0.27 -0.20 0.18 -0.55 -3.12 0.00 0.00 179.24 175.27 2k11 s SER 17 N -4.44 2.59 0.38 6.45 0.15 0.56 -5.04 113.70 114.36 2k11 s SER 17 Ca -0.09 1.89 0.07 0.00 0.70 0.00 0.00 55.95 58.53 2k11 s SER 17 Cb 0.06 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2k11 s SER 17 CO 0.40 -3.26 0.52 -0.44 1.20 0.00 0.00 173.24 171.66 2k11 s SER 18 N -2.79 5.78 0.48 5.45 0.01 -1.26 -4.95 113.70 116.42 2k11 s SER 18 Ca 0.66 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2k11 s SER 18 Cb -0.22 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2k11 s SER 18 CO 0.59 -0.61 0.00 -0.81 0.41 0.00 0.00 173.24 172.83 2k11 n PRO 19 N -1.75 0.04 -3.01 12.44 -0.04 -1.26 -4.66 135.00 136.77 2k11 n PRO 19 Ca 0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 2k11 n PRO 19 Cb 0.59 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.10 2k11 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k11 n SER 20 N -1.43 -2.63 -4.24 3.54 2.88 -1.26 -4.99 113.62 105.49 2k11 n SER 20 Ca 0.00 -0.40 -0.41 0.00 -1.33 0.00 0.00 58.87 56.73 2k11 n SER 20 Cb 0.00 -3.56 -0.09 0.00 -0.75 0.00 0.00 64.21 59.81 2k11 n SER 20 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 21 N -3.76 5.71 -0.02 -3.46 0.01 -1.26 -4.84 113.70 106.08 2k11 s SER 21 Ca 0.08 -1.73 0.01 0.00 1.31 0.00 0.00 55.95 55.62 2k11 s SER 21 Cb -0.04 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2k11 s SER 21 CO 0.48 -0.64 -0.02 -1.54 0.41 0.00 0.00 173.24 171.94 2k11 n SER 22 N 4.94 3.95 -2.81 2.44 3.41 -1.26 -3.53 113.62 120.75 2k11 n SER 22 Ca -0.09 -0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.45 2k11 n SER 22 Cb 0.42 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k11 n SER 23 N -2.47 -1.58 -0.17 4.04 7.64 -1.26 -4.39 113.62 115.42 2k11 n SER 23 Ca -0.04 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2k11 n SER 23 Cb 0.55 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k11 n THR 24 N -3.16 0.00 -0.20 0.44 -2.24 -1.26 -4.09 114.28 103.78 2k11 n THR 24 Ca 0.03 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.98 2k11 n THR 24 Cb 0.12 -0.30 0.32 0.00 -2.10 0.00 0.00 70.33 68.37 2k11 n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k11 n TYR 25 N -0.20 0.63 0.37 4.78 4.19 -1.26 0.11 117.16 125.78 2k11 n TYR 25 Ca 0.00 0.72 -0.16 0.00 3.31 0.00 0.00 57.90 61.77 2k11 n TYR 25 Cb 0.02 -1.11 -0.08 0.00 0.49 0.00 0.00 39.34 38.66 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k11 n ASN 27 N -5.43 0.11 -0.01 0.00 5.15 0.30 -1.30 115.26 114.08 2k11 n ASN 27 Ca -0.13 0.86 -0.01 0.00 -0.60 0.00 0.00 54.58 54.71 2k11 n ASN 27 Cb 0.39 -0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 39.21 2k11 n ASN 27 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2k11 h GLN 28 N 0.00 0.00 -0.29 1.20 1.08 -1.41 -3.34 115.11 112.36 2k11 h GLN 28 Ca 0.58 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.81 2k11 h GLN 28 Cb 1.95 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.35 2k11 h GLN 28 CO -0.25 0.00 -0.17 -1.33 -0.95 0.00 0.00 178.83 176.13 2k11 n MET 29 N -2.60 -0.13 -0.33 1.46 2.81 -0.40 0.25 117.12 118.18 2k11 n MET 29 Ca -0.01 0.75 0.21 0.00 -1.81 0.00 0.00 57.70 56.83 2k11 n MET 29 Cb 0.04 -1.11 0.42 0.00 -0.71 0.00 0.00 33.22 31.86 2k11 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k11 h MET 30 N 0.00 0.31 0.27 0.03 2.86 -1.49 -0.55 114.93 116.36 2k11 h MET 30 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2k11 h MET 30 Cb 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k11 h MET 30 CO -0.27 0.21 -0.13 -0.09 1.06 0.00 0.00 176.91 177.69 2k11 h ARG 31 N 0.32 -0.35 -0.71 1.72 2.43 0.31 -3.09 114.38 115.02 2k11 h ARG 31 Ca 0.68 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 60.08 2k11 h ARG 31 Cb 1.50 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.10 2k11 h ARG 31 CO -0.61 -0.00 0.75 0.00 -1.51 0.00 0.00 179.97 178.60 2k11 h ARG 32 N -0.91 0.00 -0.57 0.20 2.47 0.10 1.14 114.38 116.81 2k11 h ARG 32 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2k11 h ARG 32 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2k11 h ARG 32 CO 0.06 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.13 2k11 n ARG 33 N -3.59 1.18 -3.85 0.04 5.12 -0.34 -4.85 116.66 110.37 2k11 n ARG 33 Ca 0.15 -0.18 -0.26 0.00 -1.93 0.00 0.00 57.85 55.63 2k11 n ARG 33 Cb 1.00 -1.33 0.02 0.00 -1.16 0.00 0.00 32.46 30.99 2k11 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2k11 n ASN 34 N -0.14 -2.11 -0.21 0.55 5.03 0.39 -4.87 115.26 113.91 2k11 n ASN 34 Ca 0.02 -0.86 0.02 0.00 0.87 0.00 0.00 54.58 54.63 2k11 n ASN 34 Cb 0.19 -3.72 0.04 0.00 -1.02 0.00 0.00 39.78 35.28 2k11 n ASN 34 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2k11 n MET 35 N -4.42 1.78 -0.07 3.52 2.81 -1.19 -4.52 117.12 115.03 2k11 n MET 35 Ca -0.19 -1.37 0.03 0.00 -1.81 0.00 0.00 57.70 54.37 2k11 n MET 35 Cb 0.63 -1.09 0.07 0.00 -0.71 0.00 0.00 33.22 32.11 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2k11 n THR 36 N -0.01 1.23 -2.47 2.03 -2.24 -1.26 -3.93 114.28 107.64 2k11 n THR 36 Ca 0.04 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.12 2k11 n THR 36 Cb 0.24 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -1.44 4.33 0.00 -0.78 -1.52 -1.26 -3.22 119.66 115.78 2k11 s GLN 37 Ca 0.12 1.65 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 2k11 s GLN 37 Cb 0.09 -3.59 0.00 0.00 -0.22 0.00 0.00 33.01 29.29 2k11 s GLN 37 CO 0.04 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.00 2k11 n GLY 38 N 3.39 2.73 3.72 3.09 0.00 -1.26 -4.89 105.19 111.98 2k11 n GLY 38 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2k11 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k11 s ARG 39 N -0.03 1.58 -0.26 1.61 1.04 -1.20 -5.14 118.95 116.55 2k11 s ARG 39 Ca 0.00 -0.80 -0.08 0.00 -1.04 0.00 0.00 55.73 53.81 2k11 s ARG 39 Cb 0.00 0.58 -0.02 0.00 -2.04 0.00 0.00 34.95 33.47 2k11 s ARG 39 CO 0.00 -0.71 0.08 0.00 -0.04 0.00 0.00 175.30 174.63 2k11 n LYS 41 N 4.93 1.64 0.04 0.00 3.00 -1.25 -4.78 118.16 121.73 2k11 n LYS 41 Ca -0.16 0.58 -0.13 0.00 -0.00 0.00 0.00 58.31 58.61 2k11 n LYS 41 Cb 0.51 -2.11 -0.09 0.00 0.00 0.00 0.00 35.03 33.34 2k11 n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k11 h PRO 42 N 3.19 -0.13 -2.03 1.64 0.13 -1.96 -3.43 132.00 129.40 2k11 h PRO 42 Ca -0.43 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.84 2k11 h PRO 42 Cb 1.31 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.30 2k11 h PRO 42 CO 0.68 0.30 0.56 0.54 -0.23 0.00 0.00 178.00 179.86 2k11 s VAL 43 N -4.16 0.00 0.16 1.56 0.11 -1.26 -1.59 120.40 115.22 2k11 s VAL 43 Ca -0.15 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.67 2k11 s VAL 43 Cb 0.01 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.94 2k11 s VAL 43 CO 0.60 0.00 1.05 0.54 -3.33 0.00 0.00 175.10 173.97 2k11 s ASN 44 N -2.23 -0.01 -0.04 3.54 4.22 0.14 -4.99 114.94 115.57 2k11 s ASN 44 Ca 0.05 -0.61 0.01 0.00 -2.14 0.00 0.00 52.86 50.17 2k11 s ASN 44 Cb -0.01 0.47 0.02 0.00 1.28 0.00 0.00 41.25 43.01 2k11 s ASN 44 CO -0.07 -0.92 -0.06 -0.89 -2.04 0.00 0.00 177.10 173.12 2k11 s THR 45 N -2.26 0.61 0.80 0.54 2.01 -1.26 -1.15 115.64 114.94 2k11 s THR 45 Ca 0.21 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2k11 s THR 45 Cb -0.02 -0.61 0.17 0.00 0.01 0.00 0.00 72.50 72.05 2k11 s THR 45 CO 0.04 0.23 1.10 -0.36 -0.69 0.00 0.00 174.62 174.95 2k11 s PHE 46 N 0.76 1.22 -0.13 4.92 0.08 -0.36 -4.63 117.98 119.85 2k11 s PHE 46 Ca -0.11 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 2k11 s PHE 46 Cb -0.14 -3.25 0.06 0.00 -0.57 0.00 0.00 43.02 39.12 2k11 s PHE 46 CO 0.01 -2.09 0.29 0.08 -0.10 0.00 0.00 175.22 173.40 2k11 s VAL 47 N -3.36 -0.22 -0.54 -0.44 1.01 -0.81 -3.21 120.40 112.83 2k11 s VAL 47 Ca 0.70 0.19 0.16 0.00 0.00 0.00 0.00 61.98 63.03 2k11 s VAL 47 Cb -0.03 -0.45 0.73 0.00 0.00 0.00 0.00 36.38 36.62 2k11 s VAL 47 CO 0.47 0.08 1.65 1.41 0.00 0.00 0.00 175.10 178.71 2k11 n HIS 48 N 4.73 1.67 -4.20 5.22 8.25 -0.94 -0.11 115.22 129.84 2k11 n HIS 48 Ca -0.17 -0.71 -0.28 0.00 -0.26 0.00 0.00 57.72 56.31 2k11 n HIS 48 Cb 0.52 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2k11 s GLU 49 N -2.43 2.36 0.35 -0.41 -1.05 -1.26 -4.70 118.70 111.57 2k11 s GLU 49 Ca 0.51 -1.06 -0.27 0.00 -0.15 0.00 0.00 54.97 53.99 2k11 s GLU 49 Cb 0.37 -2.37 -0.09 0.00 -0.44 0.00 0.00 34.13 31.60 2k11 s GLU 49 CO 0.18 0.47 1.21 -1.25 0.95 0.00 0.00 175.26 176.82 2k11 s PRO 50 N -2.73 4.27 0.12 -4.83 0.04 -1.26 -4.43 135.00 126.18 2k11 s PRO 50 Ca 0.26 1.98 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 2k11 s PRO 50 Cb -0.10 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 2k11 s PRO 50 CO 0.18 -0.18 1.56 1.25 0.04 0.00 0.00 177.00 179.85 2k11 h LEU 51 N 3.13 -1.59 -0.71 -3.56 5.85 -1.99 -0.97 115.31 115.47 2k11 h LEU 51 Ca -0.48 0.19 0.25 0.00 0.84 0.00 0.00 57.88 58.68 2k11 h LEU 51 Cb 1.23 0.63 -0.13 0.00 0.37 0.00 0.00 40.66 42.75 2k11 h LEU 51 CO 0.64 -0.47 0.20 0.55 -0.34 0.00 0.00 178.44 179.02 2k11 n VAL 52 N -5.44 -0.30 0.31 1.05 3.14 -1.26 -0.03 118.33 115.80 2k11 n VAL 52 Ca -0.06 1.51 -0.12 0.00 -2.96 0.00 0.00 64.34 62.71 2k11 n VAL 52 Cb 0.38 -2.32 -0.06 0.00 -1.06 0.00 0.00 33.84 30.78 2k11 n VAL 52 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2k11 h ASP 53 N 0.00 -0.67 -0.96 6.55 5.19 -1.55 -2.42 116.42 122.56 2k11 h ASP 53 Ca 0.52 0.02 0.20 0.00 -0.62 0.00 0.00 57.03 57.15 2k11 h ASP 53 Cb 1.25 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 40.85 2k11 h ASP 53 CO -0.61 -0.47 0.61 0.58 -3.12 0.00 0.00 179.24 176.24 2k11 h VAL 54 N -0.82 0.70 -0.56 -1.35 2.07 -0.36 -0.34 116.25 115.58 2k11 h VAL 54 Ca -0.08 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2k11 h VAL 54 Cb 0.61 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2k11 h VAL 54 CO 0.13 0.11 0.29 1.56 0.02 0.00 0.00 177.57 179.69 2k11 h GLN 55 N 0.59 0.55 -0.86 1.57 4.20 -0.64 -1.02 115.11 119.49 2k11 h GLN 55 Ca 0.52 -0.03 0.25 0.00 0.06 0.00 0.00 58.65 59.44 2k11 h GLN 55 Cb 1.04 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2k11 h GLN 55 CO -0.27 0.36 0.62 -0.91 -0.67 0.00 0.00 178.83 177.96 2k11 h ASN 56 N 0.56 0.03 -0.64 1.46 2.35 -0.54 -0.05 115.58 118.75 2k11 h ASN 56 Ca 0.25 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 2k11 h ASN 56 Cb 0.14 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 2k11 h ASN 56 CO -0.16 0.01 0.30 0.58 -1.65 0.00 0.00 177.43 176.51 2k11 h VAL 57 N 0.03 0.85 0.00 2.81 2.07 -1.20 0.53 116.25 121.35 2k11 h VAL 57 Ca 0.41 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2k11 h VAL 57 Cb 1.60 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2k11 h VAL 57 CO -0.02 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.71 2k11 n PHE 59 N -2.78 0.00 -0.02 0.00 3.72 0.52 -4.76 117.46 114.13 2k11 n PHE 59 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 2k11 n PHE 59 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 2k11 n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2k11 n GLN 60 N -0.10 0.14 -4.58 -1.08 6.02 0.16 -5.06 117.38 112.87 2k11 n GLN 60 Ca 0.04 0.22 -0.27 0.00 -0.01 0.00 0.00 57.00 56.98 2k11 n GLN 60 Cb 0.17 -0.92 -0.09 0.00 1.02 0.00 0.00 30.24 30.42 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k11 s GLU 61 N -1.42 1.92 0.03 -1.09 2.12 -0.76 -5.04 118.70 114.45 2k11 s GLU 61 Ca -0.06 -2.14 -0.04 0.00 0.36 0.00 0.00 54.97 53.10 2k11 s GLU 61 Cb 0.01 -1.17 -0.01 0.00 0.26 0.00 0.00 34.13 33.22 2k11 s GLU 61 CO 0.08 -0.26 0.05 0.21 -0.54 0.00 0.00 175.26 174.81 2k11 s LYS 62 N -3.80 0.48 0.34 4.30 2.36 -1.26 -4.34 119.74 117.81 2k11 s LYS 62 Ca 0.26 -0.67 -0.03 0.00 -2.55 0.00 0.00 55.97 52.98 2k11 s LYS 62 Cb 0.06 0.18 0.00 0.00 -1.05 0.00 0.00 37.83 37.03 2k11 s LYS 62 CO 0.13 -0.11 0.47 0.14 1.55 0.00 0.00 175.35 177.53 2k11 s VAL 63 N -2.10 0.00 0.47 4.02 -7.23 0.11 -4.69 120.40 110.98 2k11 s VAL 63 Ca -0.10 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.34 2k11 s VAL 63 Cb -0.05 -2.62 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2k11 s VAL 63 CO -0.03 0.00 0.89 -0.89 -0.31 0.00 0.00 175.10 174.76 2k11 s THR 64 N -3.11 4.66 0.34 5.32 2.01 -1.26 -3.42 115.64 120.17 2k11 s THR 64 Ca 0.30 0.93 0.10 0.00 0.31 0.00 0.00 61.69 63.32 2k11 s THR 64 Cb -0.00 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2k11 s THR 64 CO 0.20 -0.64 -0.10 0.00 -0.69 0.00 0.00 174.62 173.39 2k11 h LYS 66 N 2.04 0.20 -0.03 0.00 1.79 -1.99 1.13 116.57 119.71 2k11 h LYS 66 Ca -0.42 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 57.87 2k11 h LYS 66 Cb 1.25 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2k11 h LYS 66 CO 0.70 0.14 -0.74 -0.97 -1.08 0.00 0.00 179.45 177.50 2k11 h ASN 67 N 0.21 0.27 0.00 0.86 -1.24 -2.03 -3.47 115.58 110.18 2k11 h ASN 67 Ca 0.73 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.55 2k11 h ASN 67 Cb 2.11 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.08 2k11 h ASN 67 CO -0.39 0.91 0.00 0.61 -1.29 0.00 0.00 177.43 177.28 2k11 n GLY 68 N 0.57 1.68 3.69 1.57 0.00 0.39 -5.13 105.19 107.96 2k11 n GLY 68 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2k11 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k11 s GLN 69 N -0.22 2.10 -0.05 1.61 -1.52 -1.26 -4.77 119.66 115.55 2k11 s GLN 69 Ca 0.00 -2.31 0.00 0.00 -1.95 0.00 0.00 55.36 51.10 2k11 s GLN 69 Cb 0.00 -1.37 0.05 0.00 -0.22 0.00 0.00 33.01 31.47 2k11 s GLN 69 CO 0.00 -0.33 1.44 0.41 -0.25 0.00 0.00 175.29 176.56 2k11 n GLY 70 N -1.15 2.45 0.08 3.09 0.00 -1.26 -1.33 105.19 107.06 2k11 n GLY 70 Ca -0.15 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.86 2k11 n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k11 n ASN 71 N 0.71 0.53 -4.88 1.61 5.15 -1.26 -4.74 115.26 112.39 2k11 n ASN 71 Ca 0.05 0.57 -0.21 0.00 -0.60 0.00 0.00 54.58 54.39 2k11 n ASN 71 Cb 0.57 -0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k11 s TYR 73 N -2.14 -0.57 -0.05 0.00 1.51 -0.86 -0.71 117.35 114.53 2k11 s TYR 73 Ca 0.36 0.98 0.04 0.00 -1.01 0.00 0.00 57.07 57.44 2k11 s TYR 73 Cb -0.08 0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 42.09 2k11 s TYR 73 CO 0.27 -0.56 -0.17 0.15 -1.11 0.00 0.00 175.55 174.13 2k11 s LYS 74 N -1.18 2.47 0.43 -0.62 1.02 -1.26 -2.47 119.74 118.12 2k11 s LYS 74 Ca -0.11 -0.74 -0.26 0.00 0.02 0.00 0.00 55.97 54.88 2k11 s LYS 74 Cb -0.01 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 2k11 s LYS 74 CO 0.09 0.59 1.43 -1.54 -0.92 0.00 0.00 175.35 175.00 2k11 s SER 75 N -0.66 6.02 0.00 2.83 1.04 -0.80 -4.21 113.70 117.93 2k11 s SER 75 Ca 0.10 2.94 0.09 0.00 0.48 0.00 0.00 55.95 59.56 2k11 s SER 75 Cb -0.11 -2.66 0.53 0.00 0.10 0.00 0.00 66.02 63.89 2k11 s SER 75 CO 0.00 -1.08 1.16 0.59 0.98 0.00 0.00 173.24 174.90 2k11 n ASN 76 N -0.01 0.00 -3.70 7.02 3.02 -1.26 -4.77 115.26 115.55 2k11 n ASN 76 Ca 0.04 -1.28 -0.03 0.00 -0.03 0.00 0.00 54.58 53.29 2k11 n ASN 76 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2k11 s SER 77 N -1.50 -0.14 1.14 6.41 0.01 -1.26 -5.15 113.70 113.20 2k11 s SER 77 Ca 0.13 -0.38 -0.13 0.00 1.31 0.00 0.00 55.95 56.88 2k11 s SER 77 Cb 0.06 0.44 0.27 0.00 0.21 0.00 0.00 66.02 67.00 2k11 s SER 77 CO 0.10 -0.81 1.04 -0.94 0.41 0.00 0.00 173.24 173.04 2k11 s SER 78 N -2.99 1.20 -0.25 2.44 1.04 -1.26 -4.12 113.70 109.76 2k11 s SER 78 Ca 0.13 1.50 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 2k11 s SER 78 Cb -0.00 -2.26 0.07 0.00 0.10 0.00 0.00 66.02 63.93 2k11 s SER 78 CO 0.02 -4.06 0.63 -0.04 0.98 0.00 0.00 173.24 170.76 2k11 s MET 79 N -4.53 0.67 0.34 4.02 -1.94 0.89 -4.65 119.30 114.12 2k11 s MET 79 Ca 0.68 1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 55.42 2k11 s MET 79 Cb -0.24 0.19 -0.11 0.00 2.01 0.00 0.00 34.83 36.67 2k11 s MET 79 CO 0.64 -0.13 1.51 0.72 -0.01 0.00 0.00 175.02 177.75 2k11 n HIS 80 N 3.80 2.89 -3.44 -0.03 8.25 -1.26 -1.29 115.22 124.14 2k11 n HIS 80 Ca -0.19 0.39 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2k11 n HIS 80 Cb 0.57 -2.55 -0.02 0.00 1.12 0.00 0.00 29.99 29.11 2k11 n HIS 80 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 81 N -0.71 0.00 -0.29 1.59 -0.00 -0.31 -2.22 121.20 119.27 2k11 s ILE 81 Ca 0.57 -0.06 0.02 0.00 -0.00 0.00 0.00 60.65 61.19 2k11 s ILE 81 Cb -0.49 -1.04 0.08 0.00 -0.00 0.00 0.00 42.46 41.02 2k11 s ILE 81 CO 0.58 -0.02 0.01 -0.89 -0.00 0.00 0.00 174.94 174.63 2k11 s THR 82 N -3.76 1.75 0.13 8.37 2.01 -1.20 -2.60 115.64 120.36 2k11 s THR 82 Ca 0.01 -1.73 -0.31 0.00 0.31 0.00 0.00 61.69 59.97 2k11 s THR 82 Cb -0.01 -2.16 -0.10 0.00 0.01 0.00 0.00 72.50 70.24 2k11 s THR 82 CO -0.12 -0.40 1.61 -1.81 -0.69 0.00 0.00 174.62 173.21 2k11 s ASP 83 N 1.22 6.58 -0.29 3.53 1.11 -0.68 -1.22 116.67 126.92 2k11 s ASP 83 Ca 0.03 2.59 -0.00 0.00 0.18 0.00 0.00 52.55 55.35 2k11 s ASP 83 Cb -0.19 -2.58 0.09 0.00 1.07 0.00 0.00 42.92 41.31 2k11 s ASP 83 CO -0.11 -0.86 0.07 0.00 1.18 0.00 0.00 175.17 175.45 2k11 s ARG 85 N 1.52 1.44 0.69 0.00 3.52 -1.16 0.28 118.95 125.24 2k11 s ARG 85 Ca 0.07 -0.58 -0.17 0.00 -0.13 0.00 0.00 55.73 54.92 2k11 s ARG 85 Cb -0.18 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 2k11 s ARG 85 CO -0.19 0.32 0.64 1.28 -0.81 0.00 0.00 175.30 176.54 2k11 n LEU 86 N 2.81 1.51 -4.65 -0.88 4.77 -0.62 0.25 117.00 120.20 2k11 n LEU 86 Ca -0.16 0.64 -0.28 0.00 -0.03 0.00 0.00 56.01 56.19 2k11 n LEU 86 Cb 0.54 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.27 2k11 n LEU 86 CO 0.24 -2.82 -0.27 0.42 -1.33 0.00 0.00 177.39 173.64 2k11 s THR 87 N -1.83 2.00 0.12 -5.08 -4.23 -0.42 -4.63 115.64 101.56 2k11 s THR 87 Ca 0.68 -1.95 -0.35 0.00 -1.18 0.00 0.00 61.69 58.89 2k11 s THR 87 Cb -0.37 -2.95 -0.14 0.00 1.34 0.00 0.00 72.50 70.38 2k11 s THR 87 CO 0.55 0.00 1.54 -3.20 -0.54 0.00 0.00 174.62 172.97 2k11 n ASN 88 N -1.03 2.73 -2.07 3.99 2.85 -1.26 -0.90 115.26 119.57 2k11 n ASN 88 Ca -0.05 1.09 -0.18 0.00 -0.11 0.00 0.00 54.58 55.33 2k11 n ASN 88 Cb 0.67 -1.36 -0.00 0.00 1.24 0.00 0.00 39.78 40.32 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k11 n GLY 89 N 3.26 -0.36 0.28 8.20 0.00 -1.26 -4.88 105.19 110.43 2k11 n GLY 89 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2k11 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k11 n SER 90 N -1.42 2.68 -4.80 1.61 7.64 -0.08 -4.92 113.62 114.33 2k11 n SER 90 Ca -0.20 -2.85 -0.29 0.00 1.01 0.00 0.00 58.87 56.54 2k11 n SER 90 Cb 0.65 -0.38 0.11 0.00 -1.01 0.00 0.00 64.21 63.59 2k11 n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2k11 s ARG 91 N -2.49 1.54 0.30 1.43 6.06 -1.12 -2.29 118.95 122.38 2k11 s ARG 91 Ca 0.29 0.14 -0.28 0.00 -2.50 0.00 0.00 55.73 53.38 2k11 s ARG 91 Cb 0.24 -1.90 -0.13 0.00 0.06 0.00 0.00 34.95 33.22 2k11 s ARG 91 CO 0.05 -1.90 1.13 0.98 -2.50 0.00 0.00 175.30 173.06 2k11 n TYR 92 N -3.53 1.65 0.35 5.12 4.19 -1.26 0.28 117.16 123.96 2k11 n TYR 92 Ca 0.08 0.64 0.14 0.00 3.31 0.00 0.00 57.90 62.07 2k11 n TYR 92 Cb 0.60 -2.32 0.58 0.00 0.49 0.00 0.00 39.34 38.69 2k11 n TYR 92 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2k11 h PRO 93 N 2.36 0.00 -6.73 2.98 0.13 -2.00 -3.50 132.00 125.24 2k11 h PRO 93 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 2k11 h PRO 93 Cb 1.32 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.52 2k11 h PRO 93 CO 0.62 0.00 0.94 0.09 -0.23 0.00 0.00 178.00 179.42 2k11 n ASN 94 N -2.56 3.91 -0.09 1.44 3.02 0.81 -4.88 115.26 116.91 2k11 n ASN 94 Ca 0.01 1.11 0.07 0.00 -0.03 0.00 0.00 54.58 55.75 2k11 n ASN 94 Cb 0.25 -1.58 0.10 0.00 -0.61 0.00 0.00 39.78 37.94 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k11 n ALA 96 N -1.13 0.51 -2.51 0.00 0.00 -1.13 -4.39 120.51 111.85 2k11 n ALA 96 Ca 0.12 0.28 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 2k11 n ALA 96 Cb 0.57 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2k11 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k11 s TYR 97 N 4.33 1.69 -0.34 0.00 2.02 -1.26 -1.30 117.35 122.49 2k11 s TYR 97 Ca 0.97 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2k11 s TYR 97 Cb -0.85 -1.81 0.07 0.00 -0.40 0.00 0.00 41.96 38.96 2k11 s TYR 97 CO 0.57 -0.25 0.08 0.50 -1.57 0.00 0.00 175.55 174.88 2k11 s ARG 98 N -4.15 2.33 -0.60 -0.62 3.00 0.70 -4.50 118.95 115.10 2k11 s ARG 98 Ca 0.25 -1.42 -0.27 0.00 -1.00 0.00 0.00 55.73 53.28 2k11 s ARG 98 Cb -0.01 -3.35 0.03 0.00 0.00 0.00 0.00 34.95 31.62 2k11 s ARG 98 CO 0.15 -0.77 1.17 0.99 0.00 0.00 0.00 175.30 176.85 2k11 s THR 99 N 1.24 4.02 -0.42 4.11 2.01 -1.23 -2.98 115.64 122.40 2k11 s THR 99 Ca -0.00 0.73 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 2k11 s THR 99 Cb -0.21 -4.73 0.11 0.00 0.01 0.00 0.00 72.50 67.68 2k11 s THR 99 CO -0.01 -1.40 0.23 -0.55 -0.69 0.00 0.00 174.62 172.21 2k11 s SER 100 N 3.08 5.37 0.01 3.53 0.15 0.31 -4.40 113.70 121.75 2k11 s SER 100 Ca 0.40 -1.95 -0.30 0.00 0.70 0.00 0.00 55.95 54.80 2k11 s SER 100 Cb -0.08 -1.88 -0.06 0.00 -1.71 0.00 0.00 66.02 62.29 2k11 s SER 100 CO 0.23 -0.57 1.44 -2.16 1.20 0.00 0.00 173.24 173.38 2k11 s PRO 101 N 1.21 4.27 0.14 5.44 0.04 -1.23 -1.68 135.00 143.20 2k11 s PRO 101 Ca 0.07 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2k11 s PRO 101 Cb -0.24 -3.57 0.07 0.00 0.04 0.00 0.00 34.50 30.80 2k11 s PRO 101 CO -0.03 -0.60 0.85 -1.59 0.04 0.00 0.00 177.00 175.67 2k11 s LYS 102 N 2.40 1.23 -0.23 4.56 -2.85 -1.07 -5.01 119.74 118.77 2k11 s LYS 102 Ca 0.65 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.97 2k11 s LYS 102 Cb -0.33 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 35.99 2k11 s LYS 102 CO 0.27 -0.56 0.11 -1.83 0.10 0.00 0.00 175.35 173.44 2k11 s GLU 103 N -3.43 0.17 0.27 1.78 -1.05 -1.26 -1.16 118.70 114.02 2k11 s GLU 103 Ca 0.09 -0.34 -0.08 0.00 -0.15 0.00 0.00 54.97 54.49 2k11 s GLU 103 Cb -0.02 -1.52 -0.01 0.00 -0.44 0.00 0.00 34.13 32.14 2k11 s GLU 103 CO -0.02 -0.85 0.42 0.50 0.95 0.00 0.00 175.26 176.26 2k11 s ARG 104 N 2.09 1.60 1.10 -4.83 3.52 -0.41 -4.48 118.95 117.54 2k11 s ARG 104 Ca 0.06 -1.47 -0.16 0.00 -0.13 0.00 0.00 55.73 54.03 2k11 s ARG 104 Cb -0.16 0.43 0.22 0.00 -1.56 0.00 0.00 34.95 33.87 2k11 s ARG 104 CO -0.23 -0.64 0.46 0.72 -0.81 0.00 0.00 175.30 174.79 2k11 n HIS 105 N -0.42 -2.64 -3.57 5.12 8.25 -1.26 -0.07 115.22 120.64 2k11 n HIS 105 Ca -0.00 -0.18 -0.15 0.00 -0.26 0.00 0.00 57.72 57.13 2k11 n HIS 105 Cb 0.63 -1.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.30 2k11 n HIS 105 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k11 s ILE 106 N -2.09 0.02 -0.19 1.59 -4.36 -1.26 -2.83 121.20 112.09 2k11 s ILE 106 Ca 0.43 -0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.65 2k11 s ILE 106 Cb -0.08 -0.95 0.04 0.00 1.25 0.00 0.00 42.46 42.73 2k11 s ILE 106 CO 0.38 -0.10 -0.09 -0.63 0.24 0.00 0.00 174.94 174.74 2k11 s ILE 107 N -2.03 1.54 0.21 8.37 1.01 -0.36 -1.90 121.20 128.04 2k11 s ILE 107 Ca -0.07 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.72 2k11 s ILE 107 Cb -0.01 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2k11 s ILE 107 CO 0.02 0.17 -0.13 0.68 0.00 0.00 0.00 174.94 175.68 2k11 s VAL 108 N 1.44 1.67 -0.42 2.92 -7.23 -1.03 -0.88 120.40 116.87 2k11 s VAL 108 Ca -0.01 -2.19 -0.06 0.00 -1.81 0.00 0.00 61.98 57.92 2k11 s VAL 108 Cb -0.16 -2.07 0.10 0.00 0.56 0.00 0.00 36.38 34.82 2k11 s VAL 108 CO -0.08 -0.58 0.24 0.00 -0.31 0.00 0.00 175.10 174.36 2k11 s ALA 109 N -3.02 3.22 0.21 1.32 0.00 -0.70 -2.04 121.76 120.75 2k11 s ALA 109 Ca 0.23 -2.38 -0.03 0.00 0.00 0.00 0.00 51.96 49.78 2k11 s ALA 109 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2k11 s ALA 109 CO 0.07 -1.75 0.43 0.00 0.00 0.00 0.00 175.76 174.51 2k11 s GLU 111 N -3.25 1.58 1.60 0.00 2.12 -0.26 -4.81 118.70 115.69 2k11 s GLU 111 Ca 0.40 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.73 2k11 s GLU 111 Cb -0.11 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2k11 s GLU 111 CO 0.28 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 2k11 n GLY 112 N -0.63 -1.64 2.78 -1.50 0.00 -1.26 -3.55 105.19 99.39 2k11 n GLY 112 Ca -0.05 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k11 s SER 113 N -4.00 1.05 1.23 1.61 0.15 -1.26 -3.54 113.70 108.95 2k11 s SER 113 Ca 0.00 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 2k11 s SER 113 Cb 0.00 -0.31 0.28 0.00 -1.71 0.00 0.00 66.02 64.28 2k11 s SER 113 CO 0.00 -0.16 0.99 -0.81 1.20 0.00 0.00 173.24 174.46 2k11 n PRO 114 N 4.75 -2.96 -2.46 5.44 -0.04 -1.26 -5.04 135.00 133.43 2k11 n PRO 114 Ca -0.14 -1.59 -0.41 0.00 -0.04 0.00 0.00 63.50 61.32 2k11 n PRO 114 Cb 0.50 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2k11 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k11 s TYR 115 N -2.80 2.26 0.08 0.54 5.04 -1.23 -4.81 117.35 116.43 2k11 s TYR 115 Ca 0.64 0.23 0.04 0.00 -2.44 0.00 0.00 57.07 55.54 2k11 s TYR 115 Cb -0.06 -4.50 -0.03 0.00 0.35 0.00 0.00 41.96 37.71 2k11 s TYR 115 CO 0.49 -2.01 -0.10 0.14 -1.34 0.00 0.00 175.55 172.73 2k11 s VAL 116 N 6.08 0.89 -0.22 3.14 -7.23 -1.23 -4.89 120.40 116.93 2k11 s VAL 116 Ca 0.44 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 2k11 s VAL 116 Cb -0.09 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 2k11 s VAL 116 CO 0.19 -0.50 1.62 -2.16 -0.31 0.00 0.00 175.10 173.94 2k11 s PRO 117 N -2.51 3.79 -0.09 4.82 0.04 -1.26 -1.10 135.00 138.69 2k11 s PRO 117 Ca 0.02 1.66 0.13 0.00 0.04 0.00 0.00 61.00 62.86 2k11 s PRO 117 Cb -0.05 -4.04 0.41 0.00 0.04 0.00 0.00 34.50 30.87 2k11 s PRO 117 CO 0.00 -1.30 1.34 1.33 0.04 0.00 0.00 177.00 178.41 2k11 n VAL 118 N 6.41 1.63 -3.56 -0.36 0.24 -0.91 -4.72 118.33 117.06 2k11 n VAL 118 Ca 0.19 -1.43 -0.10 0.00 -2.04 0.00 0.00 64.34 60.96 2k11 n VAL 118 Cb 0.45 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 2k11 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2k11 s HIS 119 N -1.89 -0.38 -0.08 6.34 5.65 -1.16 -4.76 115.29 119.01 2k11 s HIS 119 Ca 0.32 0.57 0.03 0.00 0.25 0.00 0.00 55.06 56.24 2k11 s HIS 119 Cb 0.23 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 32.07 2k11 s HIS 119 CO 0.12 -0.39 -0.17 0.12 -0.65 0.00 0.00 174.74 173.77 2k11 s PHE 120 N -1.50 2.66 0.00 3.88 2.19 -1.26 -1.73 117.98 122.22 2k11 s PHE 120 Ca -0.01 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 56.74 2k11 s PHE 120 Cb -0.01 -1.69 0.00 0.00 -1.31 0.00 0.00 43.02 40.01 2k11 s PHE 120 CO 0.00 -0.08 0.00 -3.47 1.83 0.00 0.00 175.22 173.50 2k11 n ASP 121 N 2.93 0.00 -3.57 6.13 2.03 -0.06 -4.93 116.55 119.08 2k11 n ASP 121 Ca -0.18 0.04 -0.07 0.00 0.52 0.00 0.00 54.79 55.10 2k11 n ASP 121 Cb 0.52 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k11 s ALA 122 N -3.52 -1.97 -0.39 -1.67 0.00 -1.11 -5.02 121.76 108.07 2k11 s ALA 122 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 2k11 s ALA 122 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2k11 s ALA 122 CO 0.00 -0.50 0.74 -1.54 0.00 0.00 0.00 175.76 174.46 2k11 s SER 123 N -1.83 6.47 1.46 0.00 1.04 -1.26 -1.23 113.70 118.35 2k11 s SER 123 Ca 0.05 0.14 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 2k11 s SER 123 Cb -0.01 -2.37 0.37 0.00 0.10 0.00 0.00 66.02 64.11 2k11 s SER 123 CO -0.04 -0.76 0.87 0.52 0.98 0.00 0.00 173.24 174.81 2k11 n VAL 124 N 5.85 0.00 -3.77 5.02 0.31 -1.13 -4.92 118.33 119.69 2k11 n VAL 124 Ca 0.02 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2k11 n VAL 124 Cb 0.48 -0.99 -0.13 0.00 -0.91 0.00 0.00 33.84 32.30 2k11 n VAL 124 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2k11 s GLU 125 N -5.06 0.20 0.13 5.55 -1.05 -1.26 -4.26 118.70 112.95 2k11 s GLU 125 Ca 0.66 0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 55.56 2k11 s GLU 125 Cb -0.11 -0.02 -0.07 0.00 -0.44 0.00 0.00 34.13 33.48 2k11 s GLU 125 CO 0.55 -0.10 1.24 0.34 0.95 0.00 0.00 175.26 178.24 2k11 s ASP 126 N 0.71 7.02 0.00 0.83 2.15 -1.26 -5.03 116.67 121.09 2k11 s ASP 126 Ca -0.05 2.19 0.28 0.00 0.43 0.00 0.00 52.55 55.41 2k11 s ASP 126 Cb -0.06 -2.59 1.70 0.00 -0.30 0.00 0.00 42.92 41.66 2k11 s ASP 126 CO -0.04 -0.46 2.04 -1.20 -0.17 0.00 0.00 175.17 175.33