#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 1.33 0.84 1.97 2.12 -1.26 -5.18 118.70 118.52 2k11 s GLU 2 Ca 0.00 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 2k11 s GLU 2 Cb 0.00 0.56 0.17 0.00 0.26 0.00 0.00 34.13 35.12 2k11 s GLU 2 CO 0.00 -0.57 1.16 0.45 -0.54 0.00 0.00 175.26 175.76 2k11 s SER 3 N -2.80 3.71 -0.04 -1.70 0.15 -1.26 -5.05 113.70 106.70 2k11 s SER 3 Ca 0.04 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 2k11 s SER 3 Cb -0.01 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2k11 s SER 3 CO -0.09 -2.32 -0.00 -0.09 1.20 0.00 0.00 173.24 171.94 2k11 h ARG 4 N -1.10 0.00 -0.78 5.44 2.43 -2.02 -3.33 114.38 115.02 2k11 h ARG 4 Ca -0.40 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.00 2k11 h ARG 4 Cb 1.25 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 2k11 h ARG 4 CO 0.39 0.00 0.76 0.00 -1.51 0.00 0.00 179.97 179.60 2k11 h ALA 5 N -1.57 2.61 0.41 2.80 0.00 -1.92 -0.52 119.26 121.06 2k11 h ALA 5 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k11 h ALA 5 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k11 h ALA 5 CO 0.00 -1.16 -0.28 0.87 0.00 0.00 0.00 179.25 178.68 2k11 h LYS 6 N 0.00 -0.64 -1.08 0.00 1.57 -1.92 -1.02 116.57 113.48 2k11 h LYS 6 Ca 0.37 0.04 0.30 0.00 -1.87 0.00 0.00 60.65 59.49 2k11 h LYS 6 Cb 1.88 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 34.23 2k11 h LYS 6 CO -0.00 -0.43 0.69 0.87 -0.57 0.00 0.00 179.45 180.00 2k11 h LYS 7 N -0.67 0.34 0.00 3.15 1.57 -1.19 1.22 116.57 121.00 2k11 h LYS 7 Ca -0.04 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2k11 h LYS 7 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2k11 h LYS 7 CO 0.03 0.23 -0.25 0.35 -0.57 0.00 0.00 179.45 179.23 2k11 h PHE 8 N 0.35 0.00 0.03 -1.35 3.57 -1.45 -2.96 116.94 115.13 2k11 h PHE 8 Ca 0.65 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.14 2k11 h PHE 8 Cb 1.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2k11 h PHE 8 CO -0.00 0.25 -0.01 1.96 -2.23 0.00 0.00 178.31 178.27 2k11 h GLN 9 N 0.00 -0.04 0.00 1.11 7.50 0.27 -2.89 115.11 121.07 2k11 h GLN 9 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2k11 h GLN 9 Cb 1.07 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.61 2k11 h GLN 9 CO 0.03 0.64 0.00 2.89 -1.50 0.00 0.00 178.83 180.90 2k11 n ARG 10 N -4.72 0.66 -0.02 1.46 -4.01 -0.07 -2.16 116.66 107.80 2k11 n ARG 10 Ca -0.08 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.71 2k11 n ARG 10 Cb 0.34 -1.36 -0.01 0.00 -3.04 0.00 0.00 32.46 28.39 2k11 n ARG 10 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2k11 n GLN 11 N -0.86 0.14 -0.11 2.89 3.00 -1.12 -4.89 117.38 116.44 2k11 n GLN 11 Ca 0.12 0.11 -0.19 0.00 -0.01 0.00 0.00 57.00 57.03 2k11 n GLN 11 Cb 0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 30.24 29.42 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2k11 n HIS 12 N -3.02 0.19 -1.52 1.08 8.25 -1.09 -4.80 115.22 114.31 2k11 n HIS 12 Ca -0.04 0.08 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2k11 n HIS 12 Cb 0.13 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.37 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 -4.39 0.74 -0.13 -0.41 2.81 -0.92 -1.22 117.12 113.61 2k11 n MET 13 Ca -0.32 0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.70 2k11 n MET 13 Cb 0.66 -2.65 0.13 0.00 -0.71 0.00 0.00 33.22 30.66 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 2.57 -0.28 7.83 2.03 -0.45 -4.40 116.55 136.91 2k11 n ASP 14 Ca 0.47 -2.80 0.24 0.00 0.52 0.00 0.00 54.79 53.22 2k11 n ASP 14 Cb 0.32 -0.35 0.41 0.00 -0.72 0.00 0.00 41.12 40.78 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k11 n SER 15 N -0.98 0.14 -0.35 1.67 3.41 -0.60 0.60 113.62 117.50 2k11 n SER 15 Ca 0.13 0.86 0.05 0.00 -0.26 0.00 0.00 58.87 59.65 2k11 n SER 15 Cb 0.59 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.24 2k11 n SER 15 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k11 h ASP 16 N 0.00 -0.98 -4.42 4.04 1.82 -1.87 -3.40 116.42 111.61 2k11 h ASP 16 Ca 0.53 0.30 -0.47 0.00 -0.39 0.00 0.00 57.03 57.00 2k11 h ASP 16 Cb 1.69 0.63 0.11 0.00 0.68 0.00 0.00 39.33 42.43 2k11 h ASP 16 CO -0.30 -0.32 0.39 -0.44 -1.61 0.00 0.00 179.24 176.96 2k11 s SER 17 N -5.27 4.36 0.34 2.28 0.01 0.20 -5.09 113.70 110.53 2k11 s SER 17 Ca -0.15 0.67 0.07 0.00 1.31 0.00 0.00 55.95 57.85 2k11 s SER 17 Cb 0.26 -1.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.36 2k11 s SER 17 CO 0.77 -1.98 0.42 -0.44 0.41 0.00 0.00 173.24 172.42 2k11 s SER 18 N -4.61 5.72 0.83 2.44 0.01 -1.26 -4.93 113.70 111.89 2k11 s SER 18 Ca 0.63 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2k11 s SER 18 Cb -0.10 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2k11 s SER 18 CO 0.49 -0.44 0.00 -0.81 0.41 0.00 0.00 173.24 172.89 2k11 n PRO 19 N -1.58 -0.67 -3.24 12.44 -0.04 -1.26 -4.58 135.00 136.07 2k11 n PRO 19 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2k11 n PRO 19 Cb 0.59 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.12 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 -2.49 -2.80 -4.35 3.54 2.88 -1.26 -4.97 113.62 104.17 2k11 n SER 20 Ca 0.00 -0.50 -0.45 0.00 -1.33 0.00 0.00 58.87 56.59 2k11 n SER 20 Cb 0.00 -4.33 -0.06 0.00 -0.75 0.00 0.00 64.21 59.07 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 -3.95 6.18 -0.03 -3.46 0.01 -1.26 -4.81 113.70 106.38 2k11 s SER 21 Ca 0.10 -1.56 0.01 0.00 1.31 0.00 0.00 55.95 55.81 2k11 s SER 21 Cb -0.05 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2k11 s SER 21 CO 0.61 -0.81 -0.02 -1.54 0.41 0.00 0.00 173.24 171.89 2k11 n SER 22 N 5.36 3.93 -3.12 2.44 3.41 -1.26 -3.89 113.62 120.48 2k11 n SER 22 Ca -0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2k11 n SER 22 Cb 0.42 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.48 -1.64 -0.34 4.04 7.64 -1.26 -4.51 113.62 115.08 2k11 n SER 23 Ca -0.05 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2k11 n SER 23 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.66 0.00 0.00 0.44 -2.24 -1.26 -4.29 114.28 104.27 2k11 n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k11 n THR 24 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.12 0.00 0.15 4.78 4.19 -1.26 -1.03 117.16 124.10 2k11 n TYR 25 Ca 0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.07 2k11 n TYR 25 Cb 0.03 -0.28 -0.08 0.00 0.49 0.00 0.00 39.34 39.50 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 -4.82 0.09 -0.01 0.00 5.15 -0.33 -1.47 115.26 113.86 2k11 n ASN 27 Ca -0.08 0.86 -0.01 0.00 -0.60 0.00 0.00 54.58 54.75 2k11 n ASN 27 Cb 0.34 -0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 39.17 2k11 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k11 n GLN 28 N -3.78 0.04 -0.06 1.20 6.02 -0.20 -4.17 117.38 116.44 2k11 n GLN 28 Ca 0.30 0.10 -0.02 0.00 -0.01 0.00 0.00 57.00 57.37 2k11 n GLN 28 Cb 1.23 -0.66 -0.01 0.00 1.02 0.00 0.00 30.24 31.82 2k11 n GLN 28 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2k11 n MET 29 N -2.60 -0.06 -0.32 -1.09 2.81 0.20 0.21 117.12 116.27 2k11 n MET 29 Ca -0.01 0.67 0.21 0.00 -1.81 0.00 0.00 57.70 56.76 2k11 n MET 29 Cb 0.04 -1.01 0.41 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.17 0.00 0.03 2.86 -1.47 1.59 114.93 118.12 2k11 h MET 30 Ca 0.02 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2k11 h MET 30 Cb 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2k11 h MET 30 CO -0.14 0.12 -0.43 -0.09 1.06 0.00 0.00 176.91 177.43 2k11 h ARG 31 N 0.18 0.00 0.00 1.72 1.12 0.24 -1.34 114.38 116.29 2k11 h ARG 31 Ca 0.68 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.55 2k11 h ARG 31 Cb 1.54 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.50 2k11 h ARG 31 CO -0.70 0.43 0.00 -2.13 -3.11 0.00 0.00 179.97 174.46 2k11 n ARG 32 N -3.60 0.18 0.00 0.20 0.63 0.54 -4.39 116.66 110.22 2k11 n ARG 32 Ca -0.00 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 2k11 n ARG 32 Cb 0.54 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.67 2k11 n ARG 32 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k11 n ARG 33 N -2.10 0.00 -0.33 -0.14 5.12 -0.70 -5.03 116.66 113.48 2k11 n ARG 33 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2k11 n ARG 33 Cb 0.30 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 2k11 n ARG 33 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2k11 n ASN 34 N -0.28 0.00 0.05 0.55 6.94 -1.14 -4.89 115.26 116.49 2k11 n ASN 34 Ca 0.00 -0.84 -0.08 0.00 -0.02 0.00 0.00 54.58 53.65 2k11 n ASN 34 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 2k11 n ASN 34 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 2k11 h MET 35 N 0.00 0.01 -0.08 -3.83 2.86 -1.53 -3.32 114.93 109.04 2k11 h MET 35 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k11 h MET 35 Cb 0.84 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2k11 h MET 35 CO 0.00 0.94 0.00 0.25 1.06 0.00 0.00 176.91 179.16 2k11 n THR 36 N -3.32 1.80 0.15 2.22 -2.24 -1.24 -2.69 114.28 108.97 2k11 n THR 36 Ca -0.03 -1.93 -0.14 0.00 -2.27 0.00 0.00 64.05 59.69 2k11 n THR 36 Cb 0.96 -0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.53 -0.33 0.00 -0.78 1.08 -1.82 -3.40 115.11 110.39 2k11 h GLN 37 Ca 0.00 0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 2k11 h GLN 37 Cb 1.01 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 2k11 h GLN 37 CO 0.05 -0.12 -1.56 0.41 -0.95 0.00 0.00 178.83 176.66 2k11 n GLY 38 N -0.86 -0.15 3.20 3.46 0.00 -1.26 -5.08 105.19 104.50 2k11 n GLY 38 Ca -0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2k11 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k11 s ARG 39 N -2.20 1.02 -0.39 1.61 0.52 -1.26 -5.09 118.95 113.16 2k11 s ARG 39 Ca -0.13 -1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 2k11 s ARG 39 Cb 0.03 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.47 2k11 s ARG 39 CO 0.23 -0.18 0.85 0.00 0.02 0.00 0.00 175.30 176.22 2k11 n LYS 41 N 6.68 2.45 -0.11 0.00 3.00 -1.10 -4.87 118.16 124.21 2k11 n LYS 41 Ca 0.05 0.88 -0.13 0.00 -0.00 0.00 0.00 58.31 59.10 2k11 n LYS 41 Cb 0.48 -2.65 -0.03 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 5.54 0.88 -3.16 1.64 0.13 -1.95 -3.42 132.00 131.66 2k11 h PRO 42 Ca -0.45 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.20 2k11 h PRO 42 Cb 1.24 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 2k11 h PRO 42 CO 0.86 1.11 0.11 0.08 -0.23 0.00 0.00 178.00 179.92 2k11 s VAL 43 N -4.39 0.02 0.10 1.56 1.01 -1.26 -2.80 120.40 114.64 2k11 s VAL 43 Ca -0.11 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 2k11 s VAL 43 Cb 0.10 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.30 2k11 s VAL 43 CO 0.87 -0.10 0.96 0.21 0.00 0.00 0.00 175.10 177.04 2k11 s ASN 44 N -2.81 -0.22 -0.27 3.32 3.84 0.55 -4.96 114.94 114.40 2k11 s ASN 44 Ca 0.04 -0.28 -0.03 0.00 0.21 0.00 0.00 52.86 52.81 2k11 s ASN 44 Cb -0.01 0.44 0.11 0.00 -0.55 0.00 0.00 41.25 41.24 2k11 s ASN 44 CO -0.09 -0.79 0.20 -0.89 -2.79 0.00 0.00 177.10 172.74 2k11 s THR 45 N -3.19 -0.23 1.15 -5.21 2.01 -1.26 -0.91 115.64 108.00 2k11 s THR 45 Ca 0.10 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 2k11 s THR 45 Cb -0.01 -0.91 0.28 0.00 0.01 0.00 0.00 72.50 71.87 2k11 s THR 45 CO -0.01 -0.53 1.21 -0.36 -0.69 0.00 0.00 174.62 174.24 2k11 s PHE 46 N 2.23 0.56 -0.15 4.92 0.40 0.74 -4.51 117.98 122.17 2k11 s PHE 46 Ca 0.08 0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.67 2k11 s PHE 46 Cb -0.15 -3.80 0.07 0.00 0.51 0.00 0.00 43.02 39.64 2k11 s PHE 46 CO -0.30 -3.61 0.31 0.08 0.70 0.00 0.00 175.22 172.40 2k11 s VAL 47 N -3.39 -0.35 -0.93 -0.44 1.01 -0.36 -2.54 120.40 113.40 2k11 s VAL 47 Ca 0.74 0.21 0.10 0.00 0.00 0.00 0.00 61.98 63.03 2k11 s VAL 47 Cb -0.05 -0.50 0.48 0.00 0.00 0.00 0.00 36.38 36.31 2k11 s VAL 47 CO 0.55 0.09 1.29 1.41 0.00 0.00 0.00 175.10 178.43 2k11 n HIS 48 N 5.02 1.11 -4.31 5.22 8.25 -0.07 -1.35 115.22 129.10 2k11 n HIS 48 Ca -0.12 -0.41 -0.28 0.00 -0.26 0.00 0.00 57.72 56.65 2k11 n HIS 48 Cb 0.51 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.90 1.85 0.61 -0.41 8.01 -1.19 -4.75 118.70 120.92 2k11 s GLU 49 Ca 0.33 -1.25 -0.17 0.00 0.01 0.00 0.00 54.97 53.89 2k11 s GLU 49 Cb 0.23 -2.10 -0.03 0.00 -4.31 0.00 0.00 34.13 27.92 2k11 s GLU 49 CO 0.13 0.46 1.12 -1.25 0.01 0.00 0.00 175.26 175.72 2k11 s PRO 50 N -2.44 3.04 0.03 0.39 0.04 -1.26 -4.14 135.00 130.66 2k11 s PRO 50 Ca 0.21 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 2k11 s PRO 50 Cb -0.10 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2k11 s PRO 50 CO 0.12 -1.07 1.14 1.25 0.04 0.00 0.00 177.00 178.47 2k11 h LEU 51 N 0.53 -0.41 -0.61 -3.56 5.85 -1.99 -2.28 115.31 112.86 2k11 h LEU 51 Ca -0.48 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.40 2k11 h LEU 51 Cb 1.25 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.33 2k11 h LEU 51 CO 0.55 -0.13 -0.17 0.55 -0.34 0.00 0.00 178.44 178.90 2k11 n VAL 52 N -3.22 -0.27 -0.04 1.05 3.14 -1.26 -0.46 118.33 117.26 2k11 n VAL 52 Ca -0.02 1.40 -0.02 0.00 -2.96 0.00 0.00 64.34 62.74 2k11 n VAL 52 Cb 0.10 -1.91 -0.01 0.00 -1.06 0.00 0.00 33.84 30.95 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 -0.29 -0.21 6.55 3.58 -1.79 0.21 116.42 124.47 2k11 h ASP 53 Ca 0.27 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 2k11 h ASP 53 Cb 0.42 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2k11 h ASP 53 CO -0.62 -0.04 0.12 0.58 -2.88 0.00 0.00 179.24 176.40 2k11 h VAL 54 N -0.02 1.09 -0.73 2.25 2.07 -0.77 -1.96 116.25 118.17 2k11 h VAL 54 Ca 0.02 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2k11 h VAL 54 Cb 0.07 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2k11 h VAL 54 CO -0.11 0.10 0.48 1.56 0.02 0.00 0.00 177.57 179.62 2k11 h GLN 55 N 0.33 0.81 0.00 1.57 4.20 0.13 -0.52 115.11 121.63 2k11 h GLN 55 Ca 0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2k11 h GLN 55 Cb 0.04 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2k11 h GLN 55 CO -0.01 0.54 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.65 2k11 h ASN 56 N 0.83 0.00 -0.62 1.46 2.35 0.10 -2.56 115.58 117.14 2k11 h ASN 56 Ca 0.30 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 2k11 h ASN 56 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2k11 h ASN 56 CO -0.10 0.12 0.40 0.58 -1.65 0.00 0.00 177.43 176.78 2k11 h VAL 57 N 0.00 1.12 0.00 2.81 2.07 -1.15 0.18 116.25 121.27 2k11 h VAL 57 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k11 h VAL 57 Cb 0.23 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2k11 h VAL 57 CO 0.02 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.92 2k11 n PHE 59 N -2.22 0.00 -0.01 0.00 3.72 -0.28 -4.80 117.46 113.86 2k11 n PHE 59 Ca -0.01 -0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2k11 n PHE 59 Cb 0.20 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.14 0.09 -4.74 -1.08 6.02 0.14 -5.08 117.38 112.87 2k11 n GLN 60 Ca 0.01 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.77 2k11 n GLN 60 Cb 0.07 -0.71 -0.08 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.30 2.17 0.06 -1.09 2.56 -0.82 -5.07 118.70 115.19 2k11 s GLU 61 Ca -0.04 -2.38 -0.10 0.00 0.00 0.00 0.00 54.97 52.45 2k11 s GLU 61 Cb 0.01 -1.47 0.00 0.00 2.00 0.00 0.00 34.13 34.67 2k11 s GLU 61 CO 0.07 -0.36 0.21 0.21 -0.56 0.00 0.00 175.26 174.83 2k11 s LYS 62 N -3.86 0.77 0.26 4.30 2.36 -1.26 -4.52 119.74 117.78 2k11 s LYS 62 Ca 0.08 -0.73 -0.01 0.00 -2.55 0.00 0.00 55.97 52.77 2k11 s LYS 62 Cb 0.02 0.32 -0.03 0.00 -1.05 0.00 0.00 37.83 37.09 2k11 s LYS 62 CO 0.04 -0.24 0.25 0.14 1.55 0.00 0.00 175.35 177.10 2k11 s VAL 63 N -3.04 0.00 0.58 4.02 -7.23 -0.31 -4.71 120.40 109.72 2k11 s VAL 63 Ca -0.01 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2k11 s VAL 63 Cb 0.01 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2k11 s VAL 63 CO -0.06 0.00 0.81 -0.89 -0.31 0.00 0.00 175.10 174.64 2k11 s THR 64 N -3.82 2.55 0.27 5.32 2.01 -1.26 -4.16 115.64 116.55 2k11 s THR 64 Ca 0.36 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 2k11 s THR 64 Cb 0.04 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2k11 s THR 64 CO 0.17 0.00 0.30 0.00 -0.69 0.00 0.00 174.62 174.40 2k11 h LYS 66 N 2.32 -0.12 0.00 0.00 3.11 -2.00 1.12 116.57 121.00 2k11 h LYS 66 Ca -0.30 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2k11 h LYS 66 Cb 1.24 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2k11 h LYS 66 CO 0.43 -0.08 0.00 -2.95 -2.81 0.00 0.00 179.45 174.04 2k11 h ASN 67 N -0.12 0.00 -0.67 4.20 -1.07 -2.04 -3.46 115.58 112.42 2k11 h ASN 67 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.63 2k11 h ASN 67 Cb 0.55 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 2k11 h ASN 67 CO -0.71 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.40 2k11 n GLY 68 N -0.51 0.91 3.77 9.14 0.00 0.39 -5.08 105.19 113.81 2k11 n GLY 68 Ca -0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.96 2.19 -0.62 1.61 -1.52 -1.26 -4.79 119.66 111.30 2k11 s GLN 69 Ca 0.00 -2.33 -0.01 0.00 -1.95 0.00 0.00 55.36 51.07 2k11 s GLN 69 Cb 0.00 -1.61 0.46 0.00 -0.22 0.00 0.00 33.01 31.65 2k11 s GLN 69 CO 0.00 -0.36 1.95 0.41 -0.25 0.00 0.00 175.29 177.04 2k11 n GLY 70 N -1.30 5.86 0.03 3.09 0.00 -1.26 -2.94 105.19 108.67 2k11 n GLY 70 Ca -0.16 -2.28 0.14 0.00 0.00 0.00 0.00 46.02 43.72 2k11 n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k11 n ASN 71 N -0.91 0.27 -4.56 1.61 6.94 -1.26 -4.84 115.26 112.51 2k11 n ASN 71 Ca 0.61 -0.05 -0.26 0.00 -0.02 0.00 0.00 54.58 54.87 2k11 n ASN 71 Cb 0.74 -0.16 -0.09 0.00 -2.36 0.00 0.00 39.78 37.90 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k11 s TYR 73 N -1.90 -0.30 0.05 0.00 1.51 -0.75 -1.16 117.35 114.81 2k11 s TYR 73 Ca 0.26 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.79 2k11 s TYR 73 Cb -0.08 0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 41.94 2k11 s TYR 73 CO 0.15 -0.50 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.39 2k11 s LYS 74 N -1.77 2.24 1.06 -0.62 -2.85 -1.26 -1.30 119.74 115.24 2k11 s LYS 74 Ca -0.10 -0.92 -0.17 0.00 -1.00 0.00 0.00 55.97 53.79 2k11 s LYS 74 Cb -0.02 -2.33 0.08 0.00 -2.06 0.00 0.00 37.83 33.49 2k11 s LYS 74 CO 0.03 0.55 0.13 -1.13 0.10 0.00 0.00 175.35 175.03 2k11 n SER 75 N 1.22 -2.31 -0.04 0.03 3.41 -1.06 -4.43 113.62 110.44 2k11 n SER 75 Ca -0.15 0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.49 2k11 n SER 75 Cb 0.52 -1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2k11 n SER 75 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2k11 h ASN 76 N -1.87 0.00 0.00 4.04 -0.73 -1.94 -3.46 115.58 111.63 2k11 h ASN 76 Ca -0.50 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.67 2k11 h ASN 76 Cb 1.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.92 2k11 h ASN 76 CO 0.37 0.37 -0.02 -0.24 -0.37 0.00 0.00 177.43 177.54 2k11 n SER 77 N -3.65 0.04 -3.55 1.15 2.88 -1.26 -5.04 113.62 104.18 2k11 n SER 77 Ca -0.02 0.06 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 2k11 n SER 77 Cb 0.08 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2k11 n SER 77 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k11 s SER 78 N -3.94 -0.08 -0.28 -3.46 1.04 -1.26 -4.31 113.70 101.40 2k11 s SER 78 Ca -0.01 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 2k11 s SER 78 Cb 0.00 0.48 0.16 0.00 0.10 0.00 0.00 66.02 66.76 2k11 s SER 78 CO 0.01 -0.91 0.56 -0.32 0.98 0.00 0.00 173.24 173.55 2k11 s MET 79 N -2.70 0.52 0.18 4.02 1.75 -0.57 -4.83 119.30 117.66 2k11 s MET 79 Ca 0.17 1.00 -0.33 0.00 -1.25 0.00 0.00 55.69 55.28 2k11 s MET 79 Cb -0.02 0.42 -0.14 0.00 2.84 0.00 0.00 34.83 37.93 2k11 s MET 79 CO 0.03 -0.53 1.53 0.72 -0.65 0.00 0.00 175.02 176.12 2k11 n HIS 80 N 5.42 2.24 -4.12 4.11 8.25 -1.26 -2.98 115.22 126.87 2k11 n HIS 80 Ca -0.04 0.32 -0.11 0.00 -0.26 0.00 0.00 57.72 57.62 2k11 n HIS 80 Cb 0.50 -2.52 -0.08 0.00 1.12 0.00 0.00 29.99 29.02 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 0.67 0.00 -0.26 1.59 -5.25 -0.78 -0.89 121.20 116.29 2k11 s ILE 81 Ca 0.76 -1.76 0.00 0.00 -0.99 0.00 0.00 60.65 58.66 2k11 s ILE 81 Cb -0.68 -2.40 0.07 0.00 2.95 0.00 0.00 42.46 42.40 2k11 s ILE 81 CO 0.41 0.00 0.01 -0.89 -1.79 0.00 0.00 174.94 172.68 2k11 s THR 82 N -4.01 1.25 0.11 8.37 2.01 -1.05 -2.89 115.64 119.43 2k11 s THR 82 Ca 0.33 -1.25 -0.31 0.00 0.31 0.00 0.00 61.69 60.76 2k11 s THR 82 Cb 0.04 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 2k11 s THR 82 CO 0.12 -0.32 1.56 -0.62 -0.69 0.00 0.00 174.62 174.67 2k11 s ASP 83 N 1.49 6.65 -0.31 3.53 2.15 -0.93 -0.18 116.67 129.07 2k11 s ASP 83 Ca 0.01 2.48 0.01 0.00 0.43 0.00 0.00 52.55 55.48 2k11 s ASP 83 Cb -0.18 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.95 2k11 s ASP 83 CO -0.11 -0.81 0.05 0.00 -0.17 0.00 0.00 175.17 174.12 2k11 s ARG 85 N 1.29 0.40 0.89 0.00 3.52 -1.21 0.21 118.95 124.05 2k11 s ARG 85 Ca 0.07 -0.14 -0.14 0.00 -0.13 0.00 0.00 55.73 55.39 2k11 s ARG 85 Cb -0.18 -0.40 0.01 0.00 -1.56 0.00 0.00 34.95 32.82 2k11 s ARG 85 CO -0.15 0.07 0.42 1.28 -0.81 0.00 0.00 175.30 176.12 2k11 n LEU 86 N 3.13 0.00 -0.59 -0.88 4.77 -1.12 0.21 117.00 122.52 2k11 n LEU 86 Ca -0.15 0.40 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 2k11 n LEU 86 Cb 0.57 -1.20 0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2k11 n LEU 86 CO 0.25 -3.52 0.38 0.35 -1.33 0.00 0.00 177.39 173.52 2k11 n THR 87 N -3.25 0.34 -3.43 -5.08 -2.24 -0.90 -4.56 114.28 95.15 2k11 n THR 87 Ca 0.07 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 2k11 n THR 87 Cb 0.53 -0.35 0.09 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.03 -2.87 0.00 3.42 2.85 -1.26 -4.66 115.26 112.76 2k11 n ASN 88 Ca 0.04 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2k11 n ASN 88 Cb 0.32 -5.01 0.00 0.00 1.24 0.00 0.00 39.78 36.33 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 -1.30 0.03 3.58 8.20 0.00 -1.26 -5.11 105.19 109.33 2k11 n GLY 89 Ca -0.23 0.00 -0.43 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 6.56 0.30 1.61 0.01 -1.26 -5.03 113.70 115.89 2k11 s SER 90 Ca 0.00 0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.65 2k11 s SER 90 Cb 0.00 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 2k11 s SER 90 CO 0.00 -0.94 -0.03 -0.60 0.41 0.00 0.00 173.24 172.08 2k11 s ARG 91 N 3.56 2.09 0.27 12.44 6.06 -0.21 -4.53 118.95 138.63 2k11 s ARG 91 Ca 0.36 -1.63 -0.30 0.00 -2.50 0.00 0.00 55.73 51.67 2k11 s ARG 91 Cb -0.11 -1.99 -0.14 0.00 0.06 0.00 0.00 34.95 32.77 2k11 s ARG 91 CO 0.22 0.26 1.19 0.98 -2.50 0.00 0.00 175.30 175.45 2k11 n TYR 92 N -0.87 1.70 0.26 5.12 4.19 -1.26 0.27 117.16 126.57 2k11 n TYR 92 Ca -0.05 0.60 0.14 0.00 3.31 0.00 0.00 57.90 61.91 2k11 n TYR 92 Cb 0.61 -2.34 0.63 0.00 0.49 0.00 0.00 39.34 38.72 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 2.89 0.00 -6.04 2.98 0.13 -1.98 -3.50 132.00 126.49 2k11 h PRO 93 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 2k11 h PRO 93 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2k11 h PRO 93 CO 0.66 0.09 1.39 0.09 -0.23 0.00 0.00 178.00 180.00 2k11 n ASN 94 N -3.26 2.74 -0.24 1.44 5.03 0.78 -4.80 115.26 116.95 2k11 n ASN 94 Ca 0.00 0.44 0.08 0.00 0.87 0.00 0.00 54.58 55.97 2k11 n ASN 94 Cb 0.33 -1.38 0.14 0.00 -1.02 0.00 0.00 39.78 37.86 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 0.31 -2.02 0.00 0.00 -1.26 -4.56 120.51 111.94 2k11 n ALA 96 Ca 0.14 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2k11 n ALA 96 Cb 0.62 -2.27 0.08 0.00 0.00 0.00 0.00 19.45 17.87 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 8.54 1.40 -0.34 0.00 2.02 -1.26 -2.12 117.35 125.59 2k11 s TYR 97 Ca 1.31 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 2k11 s TYR 97 Cb -1.26 -2.46 0.09 0.00 -0.40 0.00 0.00 41.96 37.93 2k11 s TYR 97 CO 0.51 -1.37 0.06 1.03 -1.57 0.00 0.00 175.55 174.21 2k11 s ARG 98 N -4.84 1.76 -0.35 -0.62 0.52 0.56 -4.63 118.95 111.35 2k11 s ARG 98 Ca 0.64 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 2k11 s ARG 98 Cb -0.05 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.19 2k11 s ARG 98 CO 0.41 -0.90 1.17 0.99 0.02 0.00 0.00 175.30 176.99 2k11 s THR 99 N 1.00 4.30 -0.36 0.02 2.01 -1.25 -3.28 115.64 118.09 2k11 s THR 99 Ca 0.07 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.54 2k11 s THR 99 Cb -0.20 -4.38 0.10 0.00 0.01 0.00 0.00 72.50 68.03 2k11 s THR 99 CO -0.06 -0.62 0.09 -0.44 -0.69 0.00 0.00 174.62 172.90 2k11 s SER 100 N 2.27 4.89 -0.26 3.53 0.01 -0.58 -4.61 113.70 118.94 2k11 s SER 100 Ca 0.50 -2.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.36 2k11 s SER 100 Cb -0.12 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2k11 s SER 100 CO 0.22 -0.42 1.64 -2.16 0.41 0.00 0.00 173.24 172.93 2k11 s PRO 101 N 0.97 3.67 -0.22 12.44 0.04 -1.25 -2.18 135.00 148.47 2k11 s PRO 101 Ca 0.10 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 2k11 s PRO 101 Cb -0.20 -4.07 0.06 0.00 0.04 0.00 0.00 34.50 30.33 2k11 s PRO 101 CO -0.07 -1.45 0.58 0.15 0.04 0.00 0.00 177.00 176.25 2k11 s LYS 102 N 4.92 0.68 -0.22 4.56 1.02 -1.14 -5.04 119.74 124.52 2k11 s LYS 102 Ca 0.72 0.80 -0.01 0.00 0.02 0.00 0.00 55.97 57.51 2k11 s LYS 102 Cb -0.23 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 2k11 s LYS 102 CO 0.31 -0.08 -0.10 -1.83 -0.92 0.00 0.00 175.35 172.72 2k11 s GLU 103 N 0.31 2.93 0.36 1.68 -1.05 -1.26 -1.86 118.70 119.80 2k11 s GLU 103 Ca -0.00 -0.90 -0.17 0.00 -0.15 0.00 0.00 54.97 53.75 2k11 s GLU 103 Cb -0.04 -2.86 0.05 0.00 -0.44 0.00 0.00 34.13 30.85 2k11 s GLU 103 CO 0.01 -0.32 0.81 0.50 0.95 0.00 0.00 175.26 177.20 2k11 s ARG 104 N 1.32 2.11 0.81 -4.83 3.52 -1.16 -4.74 118.95 115.98 2k11 s ARG 104 Ca 0.02 -1.34 -0.14 0.00 -0.13 0.00 0.00 55.73 54.14 2k11 s ARG 104 Cb -0.15 0.60 0.03 0.00 -1.56 0.00 0.00 34.95 33.87 2k11 s ARG 104 CO -0.07 -0.99 0.81 0.72 -0.81 0.00 0.00 175.30 174.96 2k11 n HIS 105 N -0.54 0.00 -3.68 5.12 8.25 -1.26 -1.51 115.22 121.61 2k11 n HIS 105 Ca -0.08 0.35 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 2k11 n HIS 105 Cb 0.60 -1.98 -0.12 0.00 1.12 0.00 0.00 29.99 29.61 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 -2.11 -0.33 -0.21 1.59 -4.36 -1.26 -0.89 121.20 113.63 2k11 s ILE 106 Ca 0.67 0.21 -0.16 0.00 -0.26 0.00 0.00 60.65 61.11 2k11 s ILE 106 Cb -0.29 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 2k11 s ILE 106 CO 0.57 0.09 0.40 -0.63 0.24 0.00 0.00 174.94 175.61 2k11 s ILE 107 N 2.08 5.19 0.21 8.37 1.01 -0.44 -2.55 121.20 135.07 2k11 s ILE 107 Ca -0.03 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.38 2k11 s ILE 107 Cb -0.11 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2k11 s ILE 107 CO -0.10 0.24 -0.04 0.68 0.00 0.00 0.00 174.94 175.72 2k11 s VAL 108 N 1.40 1.17 -0.44 2.92 -7.23 -0.42 -0.39 120.40 117.41 2k11 s VAL 108 Ca 0.19 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.22 2k11 s VAL 108 Cb -0.15 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.69 2k11 s VAL 108 CO 0.08 -0.45 0.28 0.00 -0.31 0.00 0.00 175.10 174.69 2k11 s ALA 109 N -3.33 3.29 -0.01 1.32 0.00 0.14 -1.81 121.76 121.35 2k11 s ALA 109 Ca 0.25 -2.38 -0.03 0.00 0.00 0.00 0.00 51.96 49.80 2k11 s ALA 109 Cb 0.04 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2k11 s ALA 109 CO 0.07 -1.78 0.17 0.00 0.00 0.00 0.00 175.76 174.22 2k11 s GLU 111 N -1.88 1.98 2.18 0.00 2.02 -0.22 -4.83 118.70 117.95 2k11 s GLU 111 Ca 0.26 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2k11 s GLU 111 Cb -0.13 0.57 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2k11 s GLU 111 CO 0.18 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.94 2k11 n GLY 112 N -0.56 -0.84 3.08 -1.39 0.00 -1.26 -3.65 105.19 100.56 2k11 n GLY 112 Ca -0.07 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.04 1.22 1.61 0.15 -1.26 -3.97 113.70 107.49 2k11 s SER 113 Ca 0.00 0.67 -0.18 0.00 0.70 0.00 0.00 55.95 57.14 2k11 s SER 113 Cb 0.00 0.75 0.27 0.00 -1.71 0.00 0.00 66.02 65.32 2k11 s SER 113 CO 0.00 -0.22 0.96 -0.81 1.20 0.00 0.00 173.24 174.37 2k11 n PRO 114 N 5.01 -2.89 -2.36 5.44 -0.04 -1.26 -5.03 135.00 133.87 2k11 n PRO 114 Ca -0.12 -1.53 -0.41 0.00 -0.04 0.00 0.00 63.50 61.40 2k11 n PRO 114 Cb 0.51 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.74 2.12 0.08 0.54 5.04 -1.25 -4.81 117.35 116.33 2k11 s TYR 115 Ca 0.62 0.36 0.04 0.00 -2.44 0.00 0.00 57.07 55.65 2k11 s TYR 115 Cb -0.06 -4.40 -0.03 0.00 0.35 0.00 0.00 41.96 37.82 2k11 s TYR 115 CO 0.48 -2.11 -0.11 0.14 -1.34 0.00 0.00 175.55 172.61 2k11 s VAL 116 N 6.71 0.91 -0.21 3.14 -7.23 -1.24 -4.90 120.40 117.58 2k11 s VAL 116 Ca 0.50 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 2k11 s VAL 116 Cb -0.10 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 2k11 s VAL 116 CO 0.20 -0.46 1.60 -2.16 -0.31 0.00 0.00 175.10 173.98 2k11 s PRO 117 N -2.36 3.83 -0.06 4.82 0.04 -1.26 -1.06 135.00 138.96 2k11 s PRO 117 Ca 0.01 1.69 0.13 0.00 0.04 0.00 0.00 61.00 62.87 2k11 s PRO 117 Cb -0.06 -4.02 0.39 0.00 0.04 0.00 0.00 34.50 30.85 2k11 s PRO 117 CO 0.01 -1.25 1.32 1.33 0.04 0.00 0.00 177.00 178.45 2k11 n VAL 118 N 6.32 1.41 -3.56 -0.36 0.24 -0.05 -4.76 118.33 117.55 2k11 n VAL 118 Ca 0.18 -1.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.12 2k11 n VAL 118 Cb 0.45 0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.56 -0.38 -0.09 6.34 5.65 -1.03 -4.68 115.29 119.54 2k11 s HIS 119 Ca 0.30 0.57 -0.00 0.00 0.25 0.00 0.00 55.06 56.18 2k11 s HIS 119 Cb 0.19 0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 32.03 2k11 s HIS 119 CO 0.14 -0.39 -0.07 0.12 -0.65 0.00 0.00 174.74 173.89 2k11 s PHE 120 N -1.50 2.94 0.00 3.88 2.19 -1.26 -0.69 117.98 123.53 2k11 s PHE 120 Ca -0.01 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.13 2k11 s PHE 120 Cb -0.01 -1.78 0.00 0.00 -1.31 0.00 0.00 43.02 39.93 2k11 s PHE 120 CO 0.00 0.19 0.00 -3.47 1.83 0.00 0.00 175.22 173.77 2k11 n ASP 121 N 2.66 0.00 -3.59 6.13 -0.08 0.47 -4.89 116.55 117.26 2k11 n ASP 121 Ca -0.18 0.02 -0.08 0.00 -1.51 0.00 0.00 54.79 53.05 2k11 n ASP 121 Cb 0.53 -0.23 -0.04 0.00 2.34 0.00 0.00 41.12 43.72 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k11 s ALA 122 N -4.04 -1.98 -0.23 -1.67 0.00 -1.06 -5.01 121.76 107.77 2k11 s ALA 122 Ca 0.00 1.61 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 2k11 s ALA 122 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2k11 s ALA 122 CO 0.00 -0.36 0.74 -1.54 0.00 0.00 0.00 175.76 174.60 2k11 s SER 123 N -1.32 6.75 1.09 0.00 1.04 -1.26 -1.33 113.70 118.67 2k11 s SER 123 Ca 0.03 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.21 2k11 s SER 123 Cb -0.01 -2.40 0.24 0.00 0.10 0.00 0.00 66.02 63.96 2k11 s SER 123 CO -0.02 -0.42 1.15 0.52 0.98 0.00 0.00 173.24 175.44 2k11 n VAL 124 N 5.10 0.00 -3.86 5.02 0.31 -0.07 -4.95 118.33 119.88 2k11 n VAL 124 Ca 0.03 -0.72 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 2k11 n VAL 124 Cb 0.48 -1.41 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 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 -5.54 0.04 1.28 5.55 -1.05 -1.26 -4.12 118.70 113.61 2k11 s GLU 125 Ca 0.68 0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 55.39 2k11 s GLU 125 Cb -0.04 -0.16 0.32 0.00 -0.44 0.00 0.00 34.13 33.81 2k11 s GLU 125 CO 0.50 -0.07 0.99 0.34 0.95 0.00 0.00 175.26 177.97 2k11 s ASP 126 N 0.48 0.05 0.00 0.83 2.15 -1.26 -5.02 116.67 113.89 2k11 s ASP 126 Ca -0.04 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.10 2k11 s ASP 126 Cb -0.06 -1.75 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 2k11 s ASP 126 CO -0.01 -4.72 0.00 -0.24 -0.17 0.00 0.00 175.17 170.02