#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 3.65 0.66 1.97 2.12 -1.26 -5.11 118.70 120.73 2k11 s GLU 2 Ca 0.00 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2k11 s GLU 2 Cb 0.00 -3.04 0.11 0.00 0.26 0.00 0.00 34.13 31.46 2k11 s GLU 2 CO 0.00 0.39 0.91 -1.12 -0.54 0.00 0.00 175.26 174.90 2k11 s SER 3 N 0.00 4.65 0.03 -1.70 0.01 -1.26 -5.03 113.70 110.40 2k11 s SER 3 Ca 0.04 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.66 2k11 s SER 3 Cb -0.13 -0.03 -0.19 0.00 0.21 0.00 0.00 66.02 65.89 2k11 s SER 3 CO 0.02 -1.64 1.21 -0.09 0.41 0.00 0.00 173.24 173.14 2k11 h ARG 4 N -0.27 0.47 -1.02 12.44 2.43 -1.99 -3.21 114.38 123.24 2k11 h ARG 4 Ca -0.35 -0.39 0.25 0.00 -0.81 0.00 0.00 59.98 58.67 2k11 h ARG 4 Cb 1.28 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.82 2k11 h ARG 4 CO 0.41 1.03 0.65 0.00 -1.51 0.00 0.00 179.97 180.55 2k11 h ALA 5 N 0.45 2.14 -0.71 2.80 0.00 -1.87 0.11 119.26 122.18 2k11 h ALA 5 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2k11 h ALA 5 Cb 1.13 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2k11 h ALA 5 CO 0.10 -0.53 0.40 0.87 0.00 0.00 0.00 179.25 180.08 2k11 h LYS 6 N 0.45 0.70 -0.51 0.00 1.79 -1.90 -1.39 116.57 115.72 2k11 h LYS 6 Ca 0.58 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.97 2k11 h LYS 6 Cb 1.38 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 2k11 h LYS 6 CO -0.30 0.47 0.16 -0.22 -1.08 0.00 0.00 179.45 178.48 2k11 h LYS 7 N 0.72 0.74 -0.30 3.15 3.64 -0.90 -2.00 116.57 121.62 2k11 h LYS 7 Ca 0.32 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2k11 h LYS 7 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2k11 h LYS 7 CO -0.19 0.64 0.23 0.35 -2.27 0.00 0.00 179.45 178.21 2k11 h PHE 8 N 0.73 0.00 0.21 1.91 3.57 -1.04 -1.19 116.94 121.14 2k11 h PHE 8 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2k11 h PHE 8 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2k11 h PHE 8 CO 0.01 0.00 -0.10 1.96 -2.23 0.00 0.00 178.31 177.95 2k11 h GLN 9 N 0.00 -0.27 -0.20 1.11 7.50 -1.26 -2.94 115.11 119.05 2k11 h GLN 9 Ca 0.14 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.31 2k11 h GLN 9 Cb 0.60 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.19 2k11 h GLN 9 CO -0.00 0.10 0.00 0.54 -1.50 0.00 0.00 178.83 177.97 2k11 n ARG 10 N -5.02 0.96 -0.08 1.46 1.74 -0.89 -2.15 116.66 112.68 2k11 n ARG 10 Ca -0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.92 2k11 n ARG 10 Cb 0.26 -1.10 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2k11 n GLN 11 N -0.39 0.46 -0.01 5.56 6.02 -0.50 -4.90 117.38 123.61 2k11 n GLN 11 Ca 0.00 0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 2k11 n GLN 11 Cb 0.05 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k11 n HIS 12 N -4.26 0.00 -1.73 1.08 8.25 -1.13 -4.96 115.22 112.46 2k11 n HIS 12 Ca -0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 2k11 n HIS 12 Cb 0.41 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k11 s MET 13 N -2.05 2.60 -0.11 -0.41 -1.94 -0.91 -1.35 119.30 115.11 2k11 s MET 13 Ca -0.03 1.37 0.15 0.00 -1.71 0.00 0.00 55.69 55.47 2k11 s MET 13 Cb 0.01 -4.44 0.29 0.00 2.01 0.00 0.00 34.83 32.69 2k11 s MET 13 CO 0.07 -2.72 1.18 -0.40 -0.01 0.00 0.00 175.02 173.13 2k11 n ASP 14 N 13.59 2.60 -0.28 3.03 5.68 -0.05 -4.40 116.55 136.73 2k11 n ASP 14 Ca 0.30 -2.86 0.24 0.00 -0.50 0.00 0.00 54.79 51.97 2k11 n ASP 14 Cb 0.51 -0.38 0.41 0.00 -1.14 0.00 0.00 41.12 40.52 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k11 n SER 15 N -1.04 0.14 -0.33 -1.12 3.41 0.05 0.13 113.62 114.86 2k11 n SER 15 Ca 0.14 0.86 0.02 0.00 -0.26 0.00 0.00 58.87 59.63 2k11 n SER 15 Cb 0.62 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 2k11 n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k11 n ASP 16 N -3.94 -0.46 -4.34 4.04 2.03 -1.26 -4.44 116.55 108.18 2k11 n ASP 16 Ca 0.24 1.51 -0.27 0.00 0.52 0.00 0.00 54.79 56.79 2k11 n ASP 16 Cb 0.94 -0.39 0.16 0.00 -0.72 0.00 0.00 41.12 41.10 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2k11 s SER 17 N -5.28 3.58 0.10 1.67 0.01 0.12 -5.10 113.70 108.81 2k11 s SER 17 Ca -0.12 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2k11 s SER 17 Cb 0.20 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 2k11 s SER 17 CO 0.64 -2.40 0.02 -0.44 0.41 0.00 0.00 173.24 171.47 2k11 s SER 18 N -4.84 5.11 0.48 2.44 0.01 -1.26 -4.92 113.70 110.72 2k11 s SER 18 Ca 0.71 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2k11 s SER 18 Cb -0.04 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.95 2k11 s SER 18 CO 0.50 0.16 0.00 -0.81 0.41 0.00 0.00 173.24 173.49 2k11 n PRO 19 N 0.41 0.02 -3.71 12.44 -0.04 -1.26 -4.52 135.00 138.34 2k11 n PRO 19 Ca -0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 2k11 n PRO 19 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.45 -2.06 0.00 3.54 2.88 -1.26 -4.94 113.62 110.33 2k11 n SER 20 Ca 0.00 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 2k11 n SER 20 Cb 0.00 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 2k11 n SER 20 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k11 n SER 21 N -3.02 0.00 -2.21 -3.46 7.64 -1.26 -4.96 113.62 106.35 2k11 n SER 21 Ca -0.23 0.67 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 2k11 n SER 21 Cb 0.65 -0.43 0.04 0.00 -1.01 0.00 0.00 64.21 63.45 2k11 n SER 21 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k11 n SER 22 N -1.80 -4.58 -2.94 6.43 7.64 -1.26 -5.00 113.62 112.11 2k11 n SER 22 Ca 0.00 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.50 2k11 n SER 22 Cb 0.00 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 2k11 n SER 22 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k11 s SER 23 N -3.02 0.44 0.00 6.43 0.15 -1.26 -4.99 113.70 111.45 2k11 s SER 23 Ca 0.28 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2k11 s SER 23 Cb -0.13 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2k11 s SER 23 CO 0.35 -1.58 0.36 0.35 1.20 0.00 0.00 173.24 173.92 2k11 n THR 24 N -0.56 0.00 -0.21 6.45 -2.24 -1.26 -3.73 114.28 112.72 2k11 n THR 24 Ca -0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2k11 n THR 24 Cb 0.60 -0.88 0.15 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.85 0.33 0.18 4.78 9.36 -1.26 0.80 117.16 130.50 2k11 n TYR 25 Ca 0.00 0.73 -0.13 0.00 3.32 0.00 0.00 57.90 61.82 2k11 n TYR 25 Cb 0.00 -0.92 -0.07 0.00 -0.63 0.00 0.00 39.34 37.72 2k11 n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k11 n ASN 27 N -5.15 -0.46 -0.06 0.00 2.85 0.24 -1.20 115.26 111.48 2k11 n ASN 27 Ca -0.09 1.27 -0.05 0.00 -0.11 0.00 0.00 54.58 55.59 2k11 n ASN 27 Cb 0.28 -0.30 -0.05 0.00 1.24 0.00 0.00 39.78 40.96 2k11 n ASN 27 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2k11 h GLN 28 N 0.00 0.00 -0.09 1.20 4.20 -1.47 -3.30 115.11 115.65 2k11 h GLN 28 Ca 0.26 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.98 2k11 h GLN 28 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2k11 h GLN 28 CO -0.72 0.35 -0.05 -1.33 -0.67 0.00 0.00 178.83 176.41 2k11 n MET 29 N -4.72 -0.04 -0.34 1.46 2.81 0.89 0.23 117.12 117.41 2k11 n MET 29 Ca -0.04 0.64 0.20 0.00 -1.81 0.00 0.00 57.70 56.70 2k11 n MET 29 Cb 0.17 -0.96 0.42 0.00 -0.71 0.00 0.00 33.22 32.15 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 0.42 0.48 0.03 2.86 -1.34 -0.45 114.93 116.93 2k11 h MET 30 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2k11 h MET 30 Cb 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2k11 h MET 30 CO -0.09 0.28 -0.23 -0.09 1.06 0.00 0.00 176.91 177.84 2k11 h ARG 31 N 0.44 -0.62 -0.27 1.72 2.43 0.28 -3.03 114.38 115.33 2k11 h ARG 31 Ca 0.68 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.97 2k11 h ARG 31 Cb 1.44 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 2k11 h ARG 31 CO -0.55 -0.41 0.67 -0.09 -1.51 0.00 0.00 179.97 178.08 2k11 h ARG 32 N -0.99 0.00 0.00 0.20 1.12 0.82 1.01 114.38 116.53 2k11 h ARG 32 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2k11 h ARG 32 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2k11 h ARG 32 CO 0.11 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.51 2k11 n ARG 33 N -3.04 0.85 -3.31 0.20 5.12 -0.25 -4.83 116.66 111.40 2k11 n ARG 33 Ca 0.05 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.79 2k11 n ARG 33 Cb 0.78 -1.04 0.06 0.00 -1.16 0.00 0.00 32.46 31.10 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 -0.54 -5.34 -0.04 0.55 3.02 0.35 -4.90 115.26 108.36 2k11 n ASN 34 Ca 0.02 -0.40 0.01 0.00 -0.03 0.00 0.00 54.58 54.18 2k11 n ASN 34 Cb 0.01 -3.95 -0.00 0.00 -0.61 0.00 0.00 39.78 35.23 2k11 n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2k11 n MET 35 N -3.90 3.50 -0.13 3.52 2.81 -1.15 -4.59 117.12 117.18 2k11 n MET 35 Ca 0.00 -0.26 0.08 0.00 -1.81 0.00 0.00 57.70 55.71 2k11 n MET 35 Cb 0.55 -0.78 0.14 0.00 -0.71 0.00 0.00 33.22 32.42 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 -0.57 1.78 0.18 2.03 -2.24 -1.26 -4.46 114.28 109.74 2k11 n THR 36 Ca 0.01 -1.95 0.06 0.00 -2.27 0.00 0.00 64.05 59.90 2k11 n THR 36 Cb 0.04 -0.10 0.22 0.00 -2.10 0.00 0.00 70.33 68.40 2k11 n THR 36 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k11 h GLN 37 N 0.41 0.00 0.00 -0.78 4.20 -1.86 -3.39 115.11 113.70 2k11 h GLN 37 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2k11 h GLN 37 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2k11 h GLN 37 CO 0.04 0.37 -1.42 0.41 -0.67 0.00 0.00 178.83 177.56 2k11 n GLY 38 N 0.71 -0.21 3.23 3.46 0.00 -1.26 -5.10 105.19 106.01 2k11 n GLY 38 Ca 0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.26 1.31 -0.32 1.61 1.70 -1.26 -5.11 118.95 114.62 2k11 s ARG 39 Ca -0.16 -1.71 -0.21 0.00 -0.47 0.00 0.00 55.73 53.18 2k11 s ARG 39 Cb 0.06 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2k11 s ARG 39 CO 0.21 -0.42 0.66 0.00 -1.08 0.00 0.00 175.30 174.67 2k11 n LYS 41 N 5.98 2.49 0.06 0.00 3.00 -1.26 -4.88 118.16 123.55 2k11 n LYS 41 Ca -0.00 0.88 -0.12 0.00 -0.00 0.00 0.00 58.31 59.07 2k11 n LYS 41 Cb 0.49 -2.60 -0.09 0.00 0.00 0.00 0.00 35.03 32.83 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 4.08 -0.19 -1.96 1.64 0.13 -1.96 -3.43 132.00 130.31 2k11 h PRO 42 Ca -0.47 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.85 2k11 h PRO 42 Cb 1.25 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.26 2k11 h PRO 42 CO 0.74 0.23 0.62 0.54 -0.23 0.00 0.00 178.00 179.90 2k11 s VAL 43 N -4.12 0.00 0.20 1.56 0.11 -1.26 -2.06 120.40 114.83 2k11 s VAL 43 Ca -0.14 -0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.63 2k11 s VAL 43 Cb 0.01 -1.10 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 2k11 s VAL 43 CO 0.57 0.00 0.96 0.21 -3.33 0.00 0.00 175.10 173.51 2k11 s ASN 44 N -2.42 -0.10 -0.23 3.54 2.47 0.23 -4.98 114.94 113.46 2k11 s ASN 44 Ca 0.07 -0.59 -0.01 0.00 0.42 0.00 0.00 52.86 52.75 2k11 s ASN 44 Cb -0.01 0.55 0.07 0.00 -1.45 0.00 0.00 41.25 40.41 2k11 s ASN 44 CO -0.07 -1.05 0.02 -0.89 -3.72 0.00 0.00 177.10 171.40 2k11 s THR 45 N -2.82 0.89 1.11 -5.21 2.01 -1.26 -1.45 115.64 108.91 2k11 s THR 45 Ca 0.16 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2k11 s THR 45 Cb -0.02 -1.38 0.27 0.00 0.01 0.00 0.00 72.50 71.37 2k11 s THR 45 CO 0.05 -0.27 1.21 0.49 -0.69 0.00 0.00 174.62 175.41 2k11 n PHE 46 N 4.90 -3.95 -3.72 4.92 3.01 -0.42 -4.78 117.46 117.41 2k11 n PHE 46 Ca -0.08 -1.08 -0.13 0.00 1.01 0.00 0.00 57.45 57.17 2k11 n PHE 46 Cb 0.45 -1.09 -0.13 0.00 -0.01 0.00 0.00 39.48 38.70 2k11 n PHE 46 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k11 s VAL 47 N -3.44 -0.10 -0.50 -4.37 1.01 -0.46 -2.94 120.40 109.59 2k11 s VAL 47 Ca 0.73 0.17 0.16 0.00 0.00 0.00 0.00 61.98 63.04 2k11 s VAL 47 Cb -0.04 -0.38 0.69 0.00 0.00 0.00 0.00 36.38 36.65 2k11 s VAL 47 CO 0.54 0.07 1.61 1.41 0.00 0.00 0.00 175.10 178.73 2k11 n HIS 48 N 4.41 1.54 -4.40 5.22 8.25 0.14 -0.77 115.22 129.61 2k11 n HIS 48 Ca -0.22 -0.72 -0.24 0.00 -0.26 0.00 0.00 57.72 56.27 2k11 n HIS 48 Cb 0.52 -0.36 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 2k11 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k11 s GLU 49 N -2.44 1.95 0.35 -0.41 0.41 -1.18 -4.67 118.70 112.72 2k11 s GLU 49 Ca 0.49 -1.70 -0.27 0.00 -0.41 0.00 0.00 54.97 53.07 2k11 s GLU 49 Cb 0.36 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.72 2k11 s GLU 49 CO 0.16 0.26 1.21 -1.25 -0.49 0.00 0.00 175.26 175.16 2k11 s PRO 50 N -3.62 4.28 0.09 0.39 0.04 -1.26 -4.45 135.00 130.48 2k11 s PRO 50 Ca 0.32 1.98 -0.35 0.00 0.04 0.00 0.00 61.00 63.00 2k11 s PRO 50 Cb -0.03 -2.93 -0.16 0.00 0.04 0.00 0.00 34.50 31.42 2k11 s PRO 50 CO 0.18 -0.17 1.57 1.25 0.04 0.00 0.00 177.00 179.87 2k11 h LEU 51 N 3.15 -1.34 -0.61 -3.56 5.85 -1.99 -2.22 115.31 114.59 2k11 h LEU 51 Ca -0.48 0.12 0.22 0.00 0.84 0.00 0.00 57.88 58.57 2k11 h LEU 51 Cb 1.23 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 42.60 2k11 h LEU 51 CO 0.64 -0.62 0.20 0.55 -0.34 0.00 0.00 178.44 178.88 2k11 n VAL 52 N -5.53 -0.25 0.37 1.05 3.14 -1.26 0.14 118.33 115.98 2k11 n VAL 52 Ca -0.11 1.27 -0.18 0.00 -2.96 0.00 0.00 64.34 62.36 2k11 n VAL 52 Cb 0.44 -1.98 -0.09 0.00 -1.06 0.00 0.00 33.84 31.15 2k11 n VAL 52 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k11 h ASP 53 N 0.00 -0.77 -0.71 6.55 3.58 -1.79 -2.58 116.42 120.71 2k11 h ASP 53 Ca 0.46 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.94 2k11 h ASP 53 Cb 1.12 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.33 2k11 h ASP 53 CO -0.51 -0.55 0.47 0.58 -2.88 0.00 0.00 179.24 176.35 2k11 h VAL 54 N -0.91 1.18 -0.75 2.25 2.07 0.12 -2.36 116.25 117.85 2k11 h VAL 54 Ca -0.09 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2k11 h VAL 54 Cb 0.70 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 2k11 h VAL 54 CO 0.15 0.17 0.38 1.56 0.02 0.00 0.00 177.57 179.86 2k11 h GLN 55 N 0.95 0.62 -1.00 1.57 4.20 -0.69 -0.40 115.11 120.36 2k11 h GLN 55 Ca 0.26 -0.04 0.25 0.00 0.06 0.00 0.00 58.65 59.19 2k11 h GLN 55 Cb -0.10 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.47 2k11 h GLN 55 CO -0.06 0.41 0.66 -0.91 -0.67 0.00 0.00 178.83 178.26 2k11 h ASN 56 N 0.63 0.36 -0.30 1.46 2.35 -1.03 0.45 115.58 119.50 2k11 h ASN 56 Ca 0.37 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 2k11 h ASN 56 Cb 0.41 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2k11 h ASN 56 CO -0.28 0.10 0.23 0.58 -1.65 0.00 0.00 177.43 176.41 2k11 h VAL 57 N 0.33 0.76 0.00 2.81 2.07 -1.16 0.22 116.25 121.28 2k11 h VAL 57 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2k11 h VAL 57 Cb 1.48 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2k11 h VAL 57 CO -0.21 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2k11 n PHE 59 N -2.82 0.06 -0.01 0.00 3.72 0.65 -4.79 117.46 114.27 2k11 n PHE 59 Ca -0.00 -0.20 -0.01 0.00 -0.05 0.00 0.00 57.45 57.19 2k11 n PHE 59 Cb 0.20 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.05 0.07 -4.52 -1.08 1.13 -0.52 -5.08 117.38 107.44 2k11 n GLN 60 Ca 0.03 0.15 -0.26 0.00 -1.94 0.00 0.00 57.00 54.98 2k11 n GLN 60 Cb 0.18 -0.74 -0.08 0.00 0.11 0.00 0.00 30.24 29.70 2k11 n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k11 s GLU 61 N -1.21 1.94 0.16 -1.09 2.12 -1.10 -5.07 118.70 114.44 2k11 s GLU 61 Ca -0.03 -2.18 -0.02 0.00 0.36 0.00 0.00 54.97 53.10 2k11 s GLU 61 Cb 0.00 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 2k11 s GLU 61 CO 0.04 -0.48 0.10 0.15 -0.54 0.00 0.00 175.26 174.54 2k11 s LYS 62 N -3.71 1.05 0.28 4.30 1.02 -1.26 -4.37 119.74 117.04 2k11 s LYS 62 Ca 0.23 -1.49 -0.19 0.00 0.02 0.00 0.00 55.97 54.54 2k11 s LYS 62 Cb 0.02 0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 2k11 s LYS 62 CO 0.14 -0.32 0.68 0.14 -0.92 0.00 0.00 175.35 175.07 2k11 s VAL 63 N -4.08 0.00 1.03 3.17 -7.23 -0.66 -4.54 120.40 108.08 2k11 s VAL 63 Ca 0.29 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 2k11 s VAL 63 Cb 0.07 -2.07 0.21 0.00 0.56 0.00 0.00 36.38 35.14 2k11 s VAL 63 CO 0.06 0.00 1.09 -0.89 -0.31 0.00 0.00 175.10 175.04 2k11 s THR 64 N -3.87 1.99 0.29 5.32 2.01 -1.26 -3.21 115.64 116.91 2k11 s THR 64 Ca 0.13 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2k11 s THR 64 Cb -0.05 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 2k11 s THR 64 CO 0.08 0.00 0.09 0.00 -0.69 0.00 0.00 174.62 174.10 2k11 h LYS 66 N 2.26 0.53 -0.69 0.00 6.56 -1.98 0.62 116.57 123.87 2k11 h LYS 66 Ca -0.38 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 2k11 h LYS 66 Cb 1.25 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2k11 h LYS 66 CO 0.62 0.35 0.00 0.27 -2.06 0.00 0.00 179.45 178.63 2k11 n ASN 67 N -4.93 1.40 -2.17 0.86 0.23 -1.26 -4.84 115.26 104.56 2k11 n ASN 67 Ca 0.17 -2.10 -0.17 0.00 -0.53 0.00 0.00 54.58 51.95 2k11 n ASN 67 Cb 0.46 -0.39 0.01 0.00 -2.08 0.00 0.00 39.78 37.78 2k11 n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k11 n GLY 68 N 0.27 -0.30 3.79 4.83 0.00 0.22 -5.01 105.19 108.99 2k11 n GLY 68 Ca 0.04 -0.12 -0.26 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 -5.14 2.25 -0.76 1.61 -1.52 -1.24 -4.74 119.66 110.13 2k11 s GLN 69 Ca 0.12 -1.93 -0.01 0.00 -1.95 0.00 0.00 55.36 51.59 2k11 s GLN 69 Cb -0.05 -1.99 0.38 0.00 -0.22 0.00 0.00 33.01 31.13 2k11 s GLN 69 CO 0.15 -0.28 1.91 0.41 -0.25 0.00 0.00 175.29 177.23 2k11 n GLY 70 N -1.40 5.67 0.16 3.09 0.00 -1.26 0.91 105.19 112.36 2k11 n GLY 70 Ca -0.03 -2.48 0.11 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.61 1.15 -4.87 1.61 5.15 -1.26 -4.77 115.26 111.65 2k11 n ASN 71 Ca 0.54 -0.94 -0.21 0.00 -0.60 0.00 0.00 54.58 53.36 2k11 n ASN 71 Cb 0.38 0.56 0.07 0.00 -0.53 0.00 0.00 39.78 40.26 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 -2.86 -0.51 -0.09 0.00 1.51 -1.02 -1.66 117.35 112.72 2k11 s TYR 73 Ca 0.61 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 57.47 2k11 s TYR 73 Cb -0.07 0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 42.21 2k11 s TYR 73 CO 0.40 -0.53 -0.12 0.15 -1.11 0.00 0.00 175.55 174.34 2k11 s LYS 74 N -1.62 2.98 0.04 -0.62 1.02 -1.26 -2.37 119.74 117.91 2k11 s LYS 74 Ca -0.05 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 2k11 s LYS 74 Cb -0.00 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.68 2k11 s LYS 74 CO 0.03 0.43 1.90 0.45 -0.92 0.00 0.00 175.35 177.23 2k11 s SER 75 N -0.21 6.48 0.08 2.83 0.15 -0.83 -4.43 113.70 117.77 2k11 s SER 75 Ca 0.01 2.62 0.12 0.00 0.70 0.00 0.00 55.95 59.40 2k11 s SER 75 Cb -0.13 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.20 2k11 s SER 75 CO 0.03 -1.03 1.39 -3.20 1.20 0.00 0.00 173.24 171.63 2k11 n ASN 76 N 7.17 0.18 -3.74 5.45 2.85 -1.26 -4.64 115.26 121.26 2k11 n ASN 76 Ca 0.19 0.56 -0.21 0.00 -0.11 0.00 0.00 54.58 55.01 2k11 n ASN 76 Cb 0.41 -0.59 -0.08 0.00 1.24 0.00 0.00 39.78 40.75 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k11 s SER 77 N -3.34 2.02 0.15 1.20 0.01 -1.26 -5.06 113.70 107.43 2k11 s SER 77 Ca 0.03 -1.69 -0.06 0.00 1.31 0.00 0.00 55.95 55.53 2k11 s SER 77 Cb 0.06 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.75 2k11 s SER 77 CO 0.20 -0.99 0.42 -0.94 0.41 0.00 0.00 173.24 172.33 2k11 s SER 78 N -3.45 6.54 0.00 2.44 1.04 -1.26 -3.59 113.70 115.41 2k11 s SER 78 Ca 0.34 0.68 -0.03 0.00 0.48 0.00 0.00 55.95 57.42 2k11 s SER 78 Cb 0.03 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 2k11 s SER 78 CO 0.21 0.04 0.05 -0.04 0.98 0.00 0.00 173.24 174.48 2k11 s MET 79 N -2.60 0.28 0.04 4.02 -1.94 -1.02 -4.79 119.30 113.29 2k11 s MET 79 Ca 0.41 -0.32 -0.30 0.00 -1.71 0.00 0.00 55.69 53.77 2k11 s MET 79 Cb -0.12 0.11 -0.08 0.00 2.01 0.00 0.00 34.83 36.75 2k11 s MET 79 CO 0.23 -0.05 1.70 -1.01 -0.01 0.00 0.00 175.02 175.88 2k11 s HIS 80 N -0.94 2.18 0.02 -0.03 3.76 -1.26 -0.56 115.29 118.46 2k11 s HIS 80 Ca -0.10 0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2k11 s HIS 80 Cb -0.06 -4.00 -0.02 0.00 1.11 0.00 0.00 32.58 29.61 2k11 s HIS 80 CO 0.00 -4.13 0.00 0.96 -0.85 0.00 0.00 174.74 170.73 2k11 s ILE 81 N 3.14 0.10 -0.37 0.60 -0.00 0.72 0.26 121.20 125.64 2k11 s ILE 81 Ca 0.76 -0.86 -0.04 0.00 -0.00 0.00 0.00 60.65 60.52 2k11 s ILE 81 Cb -0.39 -0.29 0.08 0.00 -0.00 0.00 0.00 42.46 41.86 2k11 s ILE 81 CO 0.33 -0.47 0.15 -0.89 -0.00 0.00 0.00 174.94 174.06 2k11 s THR 82 N -1.42 3.39 0.14 8.37 2.01 -1.15 -2.17 115.64 124.81 2k11 s THR 82 Ca -0.15 -1.68 -0.31 0.00 0.31 0.00 0.00 61.69 59.85 2k11 s THR 82 Cb -0.09 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 2k11 s THR 82 CO -0.01 -0.45 1.64 -0.62 -0.69 0.00 0.00 174.62 174.49 2k11 s ASP 83 N 1.67 6.55 -0.29 3.53 2.15 -0.76 -1.30 116.67 128.21 2k11 s ASP 83 Ca 0.03 2.63 -0.00 0.00 0.43 0.00 0.00 52.55 55.63 2k11 s ASP 83 Cb -0.22 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 2k11 s ASP 83 CO -0.02 -0.88 0.07 0.00 -0.17 0.00 0.00 175.17 174.18 2k11 s ARG 85 N 1.55 0.54 0.75 0.00 3.52 -1.11 0.76 118.95 124.97 2k11 s ARG 85 Ca 0.07 -0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 2k11 s ARG 85 Cb -0.18 -0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 32.69 2k11 s ARG 85 CO -0.20 0.13 0.57 1.28 -0.81 0.00 0.00 175.30 176.27 2k11 n LEU 86 N 2.69 1.06 -0.40 -0.88 4.77 -0.87 0.17 117.00 123.54 2k11 n LEU 86 Ca -0.14 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2k11 n LEU 86 Cb 0.57 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2k11 n LEU 86 CO 0.25 -3.03 0.29 0.35 -1.33 0.00 0.00 177.39 173.92 2k11 n THR 87 N -2.53 0.00 -3.42 -5.08 -2.24 -1.15 -4.63 114.28 95.23 2k11 n THR 87 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 2k11 n THR 87 Cb 0.50 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.43 2k11 n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k11 n ASN 88 N -0.09 -2.87 0.00 3.42 5.15 -1.26 -4.65 115.26 114.95 2k11 n ASN 88 Ca 0.00 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 2k11 n ASN 88 Cb 0.19 -4.97 0.00 0.00 -0.53 0.00 0.00 39.78 34.47 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k11 n GLY 89 N -1.29 0.03 3.52 8.20 0.00 -1.26 -5.10 105.19 109.28 2k11 n GLY 89 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2k11 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 90 N 0.00 6.27 0.35 1.61 0.01 -1.26 -5.01 113.70 115.66 2k11 s SER 90 Ca 0.00 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.86 2k11 s SER 90 Cb 0.00 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2k11 s SER 90 CO 0.00 -1.48 0.16 -0.13 0.41 0.00 0.00 173.24 172.20 2k11 s ARG 91 N 4.58 2.39 0.24 12.44 1.81 -0.12 -4.40 118.95 135.89 2k11 s ARG 91 Ca 0.31 -1.55 -0.31 0.00 -1.72 0.00 0.00 55.73 52.46 2k11 s ARG 91 Cb -0.12 -2.19 -0.14 0.00 -0.45 0.00 0.00 34.95 32.05 2k11 s ARG 91 CO 0.17 0.08 1.24 0.98 -0.68 0.00 0.00 175.30 177.09 2k11 n TYR 92 N -1.18 1.73 0.25 -0.53 4.19 -1.26 0.33 117.16 120.68 2k11 n TYR 92 Ca -0.03 0.58 0.13 0.00 3.31 0.00 0.00 57.90 61.89 2k11 n TYR 92 Cb 0.61 -2.36 0.58 0.00 0.49 0.00 0.00 39.34 38.67 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 3.34 0.00 -5.91 2.98 0.13 -1.99 -3.49 132.00 127.05 2k11 h PRO 93 Ca -0.43 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 2k11 h PRO 93 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2k11 h PRO 93 CO 0.70 0.14 1.47 0.09 -0.23 0.00 0.00 178.00 180.17 2k11 n ASN 94 N -3.35 2.30 -0.23 1.44 5.03 0.98 -4.78 115.26 116.65 2k11 n ASN 94 Ca -0.00 0.27 0.08 0.00 0.87 0.00 0.00 54.58 55.80 2k11 n ASN 94 Cb 0.36 -1.34 0.14 0.00 -1.02 0.00 0.00 39.78 37.92 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k11 n ALA 96 N -1.03 0.55 -3.92 0.00 0.00 -1.26 -4.51 120.51 110.33 2k11 n ALA 96 Ca 0.14 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 2k11 n ALA 96 Cb 0.61 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.64 2k11 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k11 n TYR 97 N 7.29 -0.52 -3.87 0.00 4.01 -1.26 -2.92 117.16 119.88 2k11 n TYR 97 Ca 0.30 -2.08 -0.35 0.00 -0.16 0.00 0.00 57.90 55.61 2k11 n TYR 97 Cb 0.21 -0.39 -0.14 0.00 -0.31 0.00 0.00 39.34 38.71 2k11 n TYR 97 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k11 s ARG 98 N -3.97 3.30 -0.55 -0.72 1.81 0.46 -4.44 118.95 114.85 2k11 s ARG 98 Ca 0.25 -0.68 -0.19 0.00 -1.72 0.00 0.00 55.73 53.39 2k11 s ARG 98 Cb -0.02 -3.09 0.08 0.00 -0.45 0.00 0.00 34.95 31.47 2k11 s ARG 98 CO 0.16 -0.26 0.66 0.99 -0.68 0.00 0.00 175.30 176.17 2k11 s THR 99 N 1.48 4.86 -0.46 0.02 2.01 -1.24 -2.73 115.64 119.57 2k11 s THR 99 Ca 0.05 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2k11 s THR 99 Cb -0.15 -4.39 0.12 0.00 0.01 0.00 0.00 72.50 68.08 2k11 s THR 99 CO -0.02 -0.97 0.32 -0.55 -0.69 0.00 0.00 174.62 172.71 2k11 s SER 100 N 3.19 5.62 -0.33 3.53 0.15 -0.24 -4.09 113.70 121.53 2k11 s SER 100 Ca 0.13 -1.94 -0.29 0.00 0.70 0.00 0.00 55.95 54.55 2k11 s SER 100 Cb -0.22 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2k11 s SER 100 CO 0.09 -0.67 1.69 -2.16 1.20 0.00 0.00 173.24 173.39 2k11 s PRO 101 N 1.32 3.46 0.24 5.44 0.04 -1.26 -1.82 135.00 142.42 2k11 s PRO 101 Ca 0.06 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 2k11 s PRO 101 Cb -0.26 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2k11 s PRO 101 CO -0.01 -1.70 0.51 0.15 0.04 0.00 0.00 177.00 175.98 2k11 s LYS 102 N 5.35 1.53 -0.06 4.56 1.02 -0.92 -4.84 119.74 126.38 2k11 s LYS 102 Ca 0.75 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2k11 s LYS 102 Cb -0.21 0.49 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 2k11 s LYS 102 CO 0.33 -0.65 -0.01 -1.83 -0.92 0.00 0.00 175.35 172.27 2k11 s GLU 103 N -3.97 0.61 0.06 1.68 -1.05 -1.26 -0.20 118.70 114.57 2k11 s GLU 103 Ca 0.18 0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.78 2k11 s GLU 103 Cb -0.01 -0.87 0.09 0.00 -0.44 0.00 0.00 34.13 32.90 2k11 s GLU 103 CO 0.06 -0.23 0.98 0.50 0.95 0.00 0.00 175.26 177.53 2k11 s ARG 104 N 1.58 0.93 0.78 -4.83 6.06 0.27 -4.68 118.95 119.07 2k11 s ARG 104 Ca -0.01 -0.46 -0.15 0.00 -2.50 0.00 0.00 55.73 52.61 2k11 s ARG 104 Cb -0.13 0.36 -0.01 0.00 0.06 0.00 0.00 34.95 35.22 2k11 s ARG 104 CO -0.03 -0.42 0.54 0.72 -2.50 0.00 0.00 175.30 173.60 2k11 n HIS 105 N -0.37 -0.84 -4.00 5.12 8.25 -1.24 -2.42 115.22 119.72 2k11 n HIS 105 Ca -0.07 0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2k11 n HIS 105 Cb 0.61 -1.90 -0.14 0.00 1.12 0.00 0.00 29.99 29.69 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 -2.03 0.19 -0.32 1.59 -4.36 -1.26 0.65 121.20 115.66 2k11 s ILE 106 Ca 0.64 -0.24 -0.10 0.00 -0.26 0.00 0.00 60.65 60.69 2k11 s ILE 106 Cb -0.31 -0.19 -0.01 0.00 1.25 0.00 0.00 42.46 43.20 2k11 s ILE 106 CO 0.60 -0.03 0.17 -0.63 0.24 0.00 0.00 174.94 175.29 2k11 s ILE 107 N -0.28 4.71 0.17 8.37 1.09 0.14 -1.96 121.20 133.44 2k11 s ILE 107 Ca -0.01 -0.43 0.07 0.00 -1.10 0.00 0.00 60.65 59.18 2k11 s ILE 107 Cb -0.02 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2k11 s ILE 107 CO -0.00 0.03 -0.15 0.68 -0.10 0.00 0.00 174.94 175.40 2k11 s VAL 108 N 1.63 1.63 -0.45 2.92 -7.23 -1.00 -1.60 120.40 116.30 2k11 s VAL 108 Ca 0.05 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 2k11 s VAL 108 Cb -0.17 -1.88 0.10 0.00 0.56 0.00 0.00 36.38 34.99 2k11 s VAL 108 CO 0.07 -0.50 0.31 0.00 -0.31 0.00 0.00 175.10 174.66 2k11 s ALA 109 N -2.61 3.35 0.20 1.32 0.00 0.03 -2.42 121.76 121.62 2k11 s ALA 109 Ca 0.18 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.76 2k11 s ALA 109 Cb -0.02 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 2k11 s ALA 109 CO 0.05 -1.80 0.38 0.00 0.00 0.00 0.00 175.76 174.39 2k11 s GLU 111 N -3.41 1.28 2.22 0.00 2.12 -0.24 -4.84 118.70 115.84 2k11 s GLU 111 Ca 0.37 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2k11 s GLU 111 Cb -0.11 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2k11 s GLU 111 CO 0.29 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 2k11 n GLY 112 N -0.68 0.08 3.55 -1.50 0.00 -1.26 -3.55 105.19 101.82 2k11 n GLY 112 Ca -0.03 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.91 1.19 1.61 0.15 -1.26 -4.16 113.70 106.32 2k11 s SER 113 Ca 0.00 1.42 -0.19 0.00 0.70 0.00 0.00 55.95 57.88 2k11 s SER 113 Cb 0.00 2.01 0.28 0.00 -1.71 0.00 0.00 66.02 66.60 2k11 s SER 113 CO 0.00 -0.22 1.11 -2.16 1.20 0.00 0.00 173.24 173.16 2k11 s PRO 114 N 2.76 -1.11 -0.51 5.44 0.04 -1.26 -5.04 135.00 135.32 2k11 s PRO 114 Ca -0.05 -0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.69 2k11 s PRO 114 Cb -0.12 -1.61 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 2k11 s PRO 114 CO -0.17 -3.65 1.63 0.71 0.04 0.00 0.00 177.00 175.56 2k11 s TYR 115 N -3.00 2.00 0.09 0.56 1.51 -1.26 -4.81 117.35 112.44 2k11 s TYR 115 Ca 0.70 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 57.41 2k11 s TYR 115 Cb -0.10 -4.24 -0.03 0.00 -0.11 0.00 0.00 41.96 37.47 2k11 s TYR 115 CO 0.56 -2.30 -0.10 0.14 -1.11 0.00 0.00 175.55 172.74 2k11 s VAL 116 N 7.08 0.92 -0.23 0.71 -7.23 -1.23 -4.88 120.40 115.53 2k11 s VAL 116 Ca 0.63 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 2k11 s VAL 116 Cb -0.14 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 2k11 s VAL 116 CO 0.26 -0.52 1.62 -2.16 -0.31 0.00 0.00 175.10 174.00 2k11 s PRO 117 N -2.60 3.76 0.00 4.82 0.04 -1.26 -1.08 135.00 138.68 2k11 s PRO 117 Ca 0.03 1.62 0.11 0.00 0.04 0.00 0.00 61.00 62.81 2k11 s PRO 117 Cb -0.04 -4.04 0.19 0.00 0.04 0.00 0.00 34.50 30.65 2k11 s PRO 117 CO 0.00 -1.34 1.05 1.33 0.04 0.00 0.00 177.00 178.08 2k11 n VAL 118 N 6.49 0.45 -3.65 -0.36 0.24 -0.82 -4.75 118.33 115.93 2k11 n VAL 118 Ca 0.19 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.63 2k11 n VAL 118 Cb 0.45 0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.98 -0.70 -0.14 6.34 5.65 -1.07 -4.67 115.29 119.72 2k11 s HIS 119 Ca 0.18 1.71 -0.03 0.00 0.25 0.00 0.00 55.06 57.17 2k11 s HIS 119 Cb 0.11 0.25 -0.03 0.00 -1.18 0.00 0.00 32.58 31.73 2k11 s HIS 119 CO 0.15 -0.35 -0.04 0.12 -0.65 0.00 0.00 174.74 173.97 2k11 s PHE 120 N 0.28 3.01 0.00 3.88 2.19 -1.26 -0.79 117.98 125.29 2k11 s PHE 120 Ca -0.00 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.02 2k11 s PHE 120 Cb -0.04 -1.91 0.00 0.00 -1.31 0.00 0.00 43.02 39.76 2k11 s PHE 120 CO 0.01 0.04 0.00 -3.47 1.83 0.00 0.00 175.22 173.63 2k11 n ASP 121 N 3.26 0.00 -3.69 6.13 2.03 -0.63 -4.96 116.55 118.69 2k11 n ASP 121 Ca -0.18 0.04 -0.01 0.00 0.52 0.00 0.00 54.79 55.16 2k11 n ASP 121 Cb 0.53 -0.39 -0.01 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 -3.43 -1.90 -0.15 -1.67 0.00 -1.17 -4.90 121.76 108.54 2k11 s ALA 122 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 2k11 s ALA 122 Cb 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2k11 s ALA 122 CO 0.00 -1.05 0.17 -1.54 0.00 0.00 0.00 175.76 173.34 2k11 s SER 123 N -2.98 6.35 1.02 0.00 1.04 -1.26 -0.69 113.70 117.18 2k11 s SER 123 Ca 0.13 0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 2k11 s SER 123 Cb 0.01 -2.10 0.23 0.00 0.10 0.00 0.00 66.02 64.25 2k11 s SER 123 CO -0.00 0.28 1.30 -0.69 0.98 0.00 0.00 173.24 175.11 2k11 s VAL 124 N -0.31 1.93 -0.02 5.02 1.01 0.21 -4.95 120.40 123.29 2k11 s VAL 124 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2k11 s VAL 124 Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2k11 s VAL 124 CO 0.02 0.00 0.01 -0.62 0.00 0.00 0.00 175.10 174.52 2k11 n GLU 125 N -3.97 3.12 -3.56 2.72 1.02 -1.26 -4.39 120.64 114.33 2k11 n GLU 125 Ca 0.16 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2k11 n GLU 125 Cb 0.59 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k11 s ASP 126 N -3.10 -0.37 0.00 1.62 2.15 -1.26 -4.93 116.67 110.78 2k11 s ASP 126 Ca -0.01 -0.11 0.31 0.00 0.43 0.00 0.00 52.55 53.17 2k11 s ASP 126 Cb 0.01 0.47 1.78 0.00 -0.30 0.00 0.00 42.92 44.88 2k11 s ASP 126 CO 0.09 -0.79 2.16 -1.54 -0.17 0.00 0.00 175.17 174.91