#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 2.91 1.25 1.97 2.12 -1.26 -5.08 118.70 120.62 2k11 s GLU 2 Ca 0.00 -1.18 -0.20 0.00 0.36 0.00 0.00 54.97 53.96 2k11 s GLU 2 Cb 0.00 -3.97 0.30 0.00 0.26 0.00 0.00 34.13 30.73 2k11 s GLU 2 CO 0.00 -0.85 1.07 -1.12 -0.54 0.00 0.00 175.26 173.82 2k11 s SER 3 N 1.99 0.46 -0.10 -1.70 0.01 -1.26 -4.99 113.70 108.10 2k11 s SER 3 Ca 0.04 0.71 -0.03 0.00 1.31 0.00 0.00 55.95 57.98 2k11 s SER 3 Cb -0.21 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 2k11 s SER 3 CO 0.08 -4.41 0.10 -0.09 0.41 0.00 0.00 173.24 169.32 2k11 h ARG 4 N -2.78 -0.03 -1.46 12.44 9.65 -1.99 -3.32 114.38 126.89 2k11 h ARG 4 Ca -0.45 0.00 0.43 0.00 -1.10 0.00 0.00 59.98 58.86 2k11 h ARG 4 Cb 1.31 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.82 2k11 h ARG 4 CO 0.33 0.06 1.03 0.00 2.80 0.00 0.00 179.97 184.20 2k11 h ALA 5 N -0.92 3.27 0.68 2.80 0.00 -1.89 0.10 119.26 123.29 2k11 h ALA 5 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k11 h ALA 5 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k11 h ALA 5 CO 0.00 -1.72 -0.42 0.87 0.00 0.00 0.00 179.25 177.98 2k11 h LYS 6 N 0.04 -1.00 -1.16 0.00 1.57 -1.91 -2.22 116.57 111.89 2k11 h LYS 6 Ca 0.72 0.07 0.34 0.00 -1.87 0.00 0.00 60.65 59.91 2k11 h LYS 6 Cb 2.76 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 35.19 2k11 h LYS 6 CO -0.08 -0.67 0.76 0.87 -0.57 0.00 0.00 179.45 179.76 2k11 h LYS 7 N -1.04 0.24 -0.49 3.15 1.57 -1.09 0.70 116.57 119.61 2k11 h LYS 7 Ca -0.09 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2k11 h LYS 7 Cb 0.84 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2k11 h LYS 7 CO 0.08 0.16 -0.07 0.35 -0.57 0.00 0.00 179.45 179.40 2k11 h PHE 8 N 0.24 0.94 0.91 -1.35 3.57 -1.37 -2.10 116.94 117.78 2k11 h PHE 8 Ca 0.67 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.97 2k11 h PHE 8 Cb 1.97 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 40.47 2k11 h PHE 8 CO -0.00 0.89 -0.46 1.96 -2.23 0.00 0.00 178.31 178.47 2k11 h GLN 9 N 0.79 -1.20 -0.00 1.11 7.50 0.83 -1.80 115.11 122.34 2k11 h GLN 9 Ca 0.14 0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.37 2k11 h GLN 9 Cb 0.56 0.27 0.00 0.00 0.05 0.00 0.00 27.48 28.37 2k11 h GLN 9 CO 0.03 -0.80 0.00 0.54 -1.50 0.00 0.00 178.83 177.10 2k11 n ARG 10 N -5.63 0.75 -0.09 1.46 1.74 -1.07 -1.62 116.66 112.20 2k11 n ARG 10 Ca -0.16 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 2k11 n ARG 10 Cb 0.50 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.50 0.51 -0.01 5.56 1.13 -0.74 -4.89 117.38 118.44 2k11 n GLN 11 Ca 0.00 0.28 -0.02 0.00 -1.94 0.00 0.00 57.00 55.32 2k11 n GLN 11 Cb 0.00 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 28.85 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2k11 n HIS 12 N -4.49 0.00 -1.70 1.08 -0.00 -0.80 -4.91 115.22 104.39 2k11 n HIS 12 Ca -0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.16 2k11 n HIS 12 Cb 0.47 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 30.33 2k11 n HIS 12 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k11 s MET 13 N -2.05 3.22 -0.09 -0.41 -1.94 -0.64 -0.48 119.30 116.90 2k11 s MET 13 Ca -0.03 1.91 0.12 0.00 -1.71 0.00 0.00 55.69 55.98 2k11 s MET 13 Cb 0.01 -4.32 0.24 0.00 2.01 0.00 0.00 34.83 32.76 2k11 s MET 13 CO 0.06 -2.00 1.15 -3.47 -0.01 0.00 0.00 175.02 170.75 2k11 n ASP 14 N 11.20 2.50 -0.24 3.03 -0.08 0.99 -4.38 116.55 129.57 2k11 n ASP 14 Ca 0.28 -2.66 0.07 0.00 -1.51 0.00 0.00 54.79 50.97 2k11 n ASP 14 Cb 0.45 -0.30 0.14 0.00 2.34 0.00 0.00 41.12 43.76 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 -0.87 -0.17 -0.29 1.67 3.41 0.50 0.58 113.62 118.45 2k11 n SER 15 Ca 0.12 1.16 0.01 0.00 -0.26 0.00 0.00 58.87 59.89 2k11 n SER 15 Cb 0.54 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -5.01 -0.43 -4.82 4.04 2.03 -1.26 -4.38 116.55 106.72 2k11 n ASP 16 Ca 0.13 1.36 -0.29 0.00 0.52 0.00 0.00 54.79 56.50 2k11 n ASP 16 Cb 0.42 -0.35 0.10 0.00 -0.72 0.00 0.00 41.12 40.57 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 -5.25 4.32 0.38 1.67 0.01 0.20 -5.08 113.70 109.94 2k11 s SER 17 Ca -0.11 1.12 0.07 0.00 1.31 0.00 0.00 55.95 58.34 2k11 s SER 17 Cb 0.18 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.62 2k11 s SER 17 CO 0.58 -2.06 0.49 -0.44 0.41 0.00 0.00 173.24 172.22 2k11 s SER 18 N -4.08 5.72 0.43 2.44 0.01 -1.26 -4.91 113.70 112.05 2k11 s SER 18 Ca 0.61 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2k11 s SER 18 Cb -0.14 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2k11 s SER 18 CO 0.53 -0.58 0.00 -0.81 0.41 0.00 0.00 173.24 172.79 2k11 n PRO 19 N -1.70 0.12 -3.40 12.44 -0.04 -1.26 -4.60 135.00 136.56 2k11 n PRO 19 Ca 0.03 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 2k11 n PRO 19 Cb 0.59 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.13 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 -1.30 -2.88 -4.37 3.54 2.88 -1.26 -4.96 113.62 105.28 2k11 n SER 20 Ca 0.00 -0.58 -0.45 0.00 -1.33 0.00 0.00 58.87 56.51 2k11 n SER 20 Cb 0.00 -4.91 -0.06 0.00 -0.75 0.00 0.00 64.21 58.49 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 -4.10 6.18 -0.03 -3.46 0.01 -1.26 -4.81 113.70 106.23 2k11 s SER 21 Ca 0.11 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.92 2k11 s SER 21 Cb -0.05 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2k11 s SER 21 CO 0.70 -0.88 -0.02 -1.20 0.41 0.00 0.00 173.24 172.24 2k11 n SER 22 N 5.67 3.83 -3.02 2.44 7.64 -1.26 -3.92 113.62 125.00 2k11 n SER 22 Ca -0.11 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2k11 n SER 22 Cb 0.42 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k11 n SER 23 N -2.51 -1.65 -0.39 6.43 7.64 -1.26 -4.61 113.62 117.27 2k11 n SER 23 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2k11 n SER 23 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.78 0.00 0.00 0.44 -2.24 -1.26 -4.35 114.28 104.08 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 0.16 0.00 0.04 4.78 9.36 -1.26 -1.02 117.16 129.22 2k11 n TYR 25 Ca 0.00 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.07 2k11 n TYR 25 Cb 0.06 -0.21 -0.09 0.00 -0.63 0.00 0.00 39.34 38.47 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 -5.21 -0.10 -0.01 0.00 2.85 -0.21 -0.52 115.26 112.05 2k11 n ASN 27 Ca -0.07 1.14 -0.01 0.00 -0.11 0.00 0.00 54.58 55.53 2k11 n ASN 27 Cb 0.36 -0.40 -0.00 0.00 1.24 0.00 0.00 39.78 40.98 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 -0.39 1.20 4.20 -0.01 -3.32 115.11 116.78 2k11 h GLN 28 Ca 0.39 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.14 2k11 h GLN 28 Cb 0.79 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 2k11 h GLN 28 CO -0.64 0.00 -0.23 -1.33 -0.67 0.00 0.00 178.83 175.96 2k11 n MET 29 N -2.72 -0.17 -0.32 1.46 2.81 0.24 0.25 117.12 118.67 2k11 n MET 29 Ca -0.01 0.80 0.19 0.00 -1.81 0.00 0.00 57.70 56.87 2k11 n MET 29 Cb 0.04 -1.18 0.40 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.33 0.33 0.03 2.86 -0.99 -0.19 114.93 117.31 2k11 h MET 30 Ca 0.06 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2k11 h MET 30 Cb 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2k11 h MET 30 CO -0.37 0.22 -0.16 -0.09 1.06 0.00 0.00 176.91 177.57 2k11 h ARG 31 N 0.34 -0.43 -0.00 1.72 2.43 0.33 -3.02 114.38 115.75 2k11 h ARG 31 Ca 0.66 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.86 2k11 h ARG 31 Cb 1.41 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2k11 h ARG 31 CO -0.59 -0.11 0.46 -0.09 -1.51 0.00 0.00 179.97 178.13 2k11 h ARG 32 N -0.95 0.00 -0.76 0.20 2.43 0.55 0.49 114.38 116.34 2k11 h ARG 32 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k11 h ARG 32 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2k11 h ARG 32 CO 0.07 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.07 2k11 n ARG 33 N -2.82 1.40 -3.74 0.20 5.12 -0.19 -4.84 116.66 111.79 2k11 n ARG 33 Ca -0.02 -0.35 -0.25 0.00 -1.93 0.00 0.00 57.85 55.30 2k11 n ARG 33 Cb 0.50 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.37 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 0.00 -4.19 -0.01 0.55 3.02 0.17 -4.87 115.26 109.94 2k11 n ASN 34 Ca 0.03 -0.71 0.02 0.00 -0.03 0.00 0.00 54.58 53.89 2k11 n ASN 34 Cb 0.30 -4.36 -0.02 0.00 -0.61 0.00 0.00 39.78 35.09 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 -4.63 5.39 -0.06 3.52 2.81 -1.18 -4.57 117.12 118.40 2k11 n MET 35 Ca -0.07 -0.04 0.03 0.00 -1.81 0.00 0.00 57.70 55.81 2k11 n MET 35 Cb 0.58 -0.71 0.06 0.00 -0.71 0.00 0.00 33.22 32.44 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 -1.03 0.74 0.12 2.03 -2.24 -1.25 -4.22 114.28 108.43 2k11 n THR 36 Ca 0.01 -0.87 -0.01 0.00 -2.27 0.00 0.00 64.05 60.91 2k11 n THR 36 Cb 0.07 0.66 0.23 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.96 0.13 0.00 -0.78 1.08 -1.85 -3.35 115.11 111.30 2k11 h GLN 37 Ca 0.00 -0.07 -0.31 0.00 -1.45 0.00 0.00 58.65 56.82 2k11 h GLN 37 Cb 0.50 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 2k11 h GLN 37 CO 0.00 0.58 -2.11 0.41 -0.95 0.00 0.00 178.83 176.76 2k11 n GLY 38 N -0.09 -0.29 3.29 3.46 0.00 -1.26 -5.07 105.19 105.23 2k11 n GLY 38 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.38 0.89 -0.42 1.61 1.70 -1.26 -5.12 118.95 113.97 2k11 s ARG 39 Ca -0.27 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.23 2k11 s ARG 39 Cb 0.08 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2k11 s ARG 39 CO 0.41 -0.30 1.30 0.00 -1.08 0.00 0.00 175.30 175.63 2k11 n LYS 41 N 7.88 1.67 -0.03 0.00 3.00 -1.26 -4.91 118.16 124.51 2k11 n LYS 41 Ca 0.15 0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 58.93 2k11 n LYS 41 Cb 0.48 -2.24 -0.09 0.00 0.00 0.00 0.00 35.03 33.19 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 4.46 0.17 -3.27 1.64 0.13 -1.96 -3.42 132.00 129.74 2k11 h PRO 42 Ca -0.45 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2k11 h PRO 42 Cb 1.30 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.31 2k11 h PRO 42 CO 0.78 0.61 0.03 0.08 -0.23 0.00 0.00 178.00 179.26 2k11 s VAL 43 N -4.27 0.04 0.17 1.56 1.01 -1.26 -2.35 120.40 115.29 2k11 s VAL 43 Ca -0.15 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2k11 s VAL 43 Cb 0.03 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.27 2k11 s VAL 43 CO 0.71 -0.18 1.05 0.20 0.00 0.00 0.00 175.10 176.88 2k11 s ASN 44 N -2.81 -0.01 -0.27 3.32 -0.87 0.36 -4.98 114.94 109.68 2k11 s ASN 44 Ca 0.04 -0.61 -0.04 0.00 -1.57 0.00 0.00 52.86 50.68 2k11 s ASN 44 Cb 0.00 0.47 0.15 0.00 -0.02 0.00 0.00 41.25 41.86 2k11 s ASN 44 CO -0.10 -0.93 0.53 -0.89 -2.57 0.00 0.00 177.10 173.14 2k11 s THR 45 N -2.26 -0.85 1.01 1.60 2.01 -1.26 -1.10 115.64 114.78 2k11 s THR 45 Ca 0.21 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.05 2k11 s THR 45 Cb -0.02 -0.91 0.23 0.00 0.01 0.00 0.00 72.50 71.81 2k11 s THR 45 CO 0.04 -0.02 1.34 -0.36 -0.69 0.00 0.00 174.62 174.93 2k11 s PHE 46 N 2.76 1.22 -0.02 4.92 0.08 0.12 -4.68 117.98 122.38 2k11 s PHE 46 Ca 0.11 0.23 -0.05 0.00 0.12 0.00 0.00 56.93 57.34 2k11 s PHE 46 Cb -0.14 -4.21 0.00 0.00 -0.57 0.00 0.00 43.02 38.10 2k11 s PHE 46 CO -0.18 -2.93 0.12 0.08 -0.10 0.00 0.00 175.22 172.21 2k11 s VAL 47 N -3.90 0.05 -0.18 -0.44 1.01 0.37 -2.41 120.40 114.90 2k11 s VAL 47 Ca 0.76 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 62.48 2k11 s VAL 47 Cb -0.03 -0.31 0.32 0.00 0.00 0.00 0.00 36.38 36.36 2k11 s VAL 47 CO 0.54 -0.23 1.21 1.41 0.00 0.00 0.00 175.10 178.03 2k11 n HIS 48 N 2.13 0.30 -4.36 5.22 8.25 -0.46 -0.01 115.22 126.30 2k11 n HIS 48 Ca -0.18 -0.86 -0.31 0.00 -0.26 0.00 0.00 57.72 56.10 2k11 n HIS 48 Cb 0.57 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.49 2.31 0.29 -0.41 8.01 -1.25 -4.70 118.70 120.47 2k11 s GLU 49 Ca 0.30 -0.89 -0.29 0.00 0.01 0.00 0.00 54.97 54.10 2k11 s GLU 49 Cb 0.25 -2.38 -0.10 0.00 -4.31 0.00 0.00 34.13 27.59 2k11 s GLU 49 CO 0.05 0.55 1.24 -1.25 0.01 0.00 0.00 175.26 175.86 2k11 s PRO 50 N -1.83 4.45 0.10 0.39 0.04 -1.26 -4.52 135.00 132.38 2k11 s PRO 50 Ca 0.19 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2k11 s PRO 50 Cb -0.11 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2k11 s PRO 50 CO 0.11 -0.07 1.39 1.25 0.04 0.00 0.00 177.00 179.72 2k11 h LEU 51 N 3.82 -1.45 -0.87 -3.56 5.85 -1.99 0.29 115.31 117.40 2k11 h LEU 51 Ca -0.48 0.20 0.30 0.00 0.84 0.00 0.00 57.88 58.74 2k11 h LEU 51 Cb 1.22 0.62 -0.08 0.00 0.37 0.00 0.00 40.66 42.78 2k11 h LEU 51 CO 0.68 -0.24 0.57 0.55 -0.34 0.00 0.00 178.44 179.66 2k11 n VAL 52 N -4.63 -0.14 0.14 1.05 3.14 -1.26 0.15 118.33 116.78 2k11 n VAL 52 Ca -0.01 1.08 -0.11 0.00 -2.96 0.00 0.00 64.34 62.34 2k11 n VAL 52 Cb 0.22 -1.77 -0.07 0.00 -1.06 0.00 0.00 33.84 31.17 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 -0.35 -0.81 6.55 3.58 -0.78 -2.90 116.42 121.70 2k11 h ASP 53 Ca 0.54 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.84 2k11 h ASP 53 Cb 1.78 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.88 2k11 h ASP 53 CO -0.26 0.11 0.53 0.58 -2.88 0.00 0.00 179.24 177.33 2k11 h VAL 54 N -0.96 1.16 -0.44 2.25 2.07 0.15 -2.46 116.25 118.03 2k11 h VAL 54 Ca -0.04 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2k11 h VAL 54 Cb 0.50 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2k11 h VAL 54 CO 0.07 0.19 0.19 1.56 0.02 0.00 0.00 177.57 179.60 2k11 h GLN 55 N 1.04 0.38 -0.25 1.57 4.20 -0.81 -0.41 115.11 120.83 2k11 h GLN 55 Ca 0.31 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.07 2k11 h GLN 55 Cb -0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2k11 h GLN 55 CO -0.08 0.25 0.48 -0.91 -0.67 0.00 0.00 178.83 177.90 2k11 h ASN 56 N 0.39 0.00 -0.61 1.46 2.35 -1.22 0.19 115.58 118.14 2k11 h ASN 56 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2k11 h ASN 56 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2k11 h ASN 56 CO -0.17 0.00 -0.00 0.58 -1.65 0.00 0.00 177.43 176.19 2k11 h VAL 57 N 0.00 1.27 -0.01 2.81 2.07 -1.12 -0.91 116.25 120.37 2k11 h VAL 57 Ca 0.12 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2k11 h VAL 57 Cb 1.07 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2k11 h VAL 57 CO -0.00 0.42 0.05 0.00 0.02 0.00 0.00 177.57 178.06 2k11 n PHE 59 N -3.12 0.00 -0.02 0.00 3.72 -0.91 -4.71 117.46 112.42 2k11 n PHE 59 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 2k11 n PHE 59 Cb 0.12 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2k11 n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2k11 h GLN 60 N 1.91 0.00 -5.02 -1.08 1.08 0.57 -3.50 115.11 109.06 2k11 h GLN 60 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2k11 h GLN 60 Cb 0.46 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.75 2k11 h GLN 60 CO 0.00 0.00 -0.53 -2.00 -0.95 0.00 0.00 178.83 175.35 2k11 s GLU 61 N -1.34 1.85 0.03 1.46 2.12 -0.97 -5.06 118.70 116.79 2k11 s GLU 61 Ca -0.04 -2.11 -0.01 0.00 0.36 0.00 0.00 54.97 53.17 2k11 s GLU 61 Cb 0.01 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 33.88 2k11 s GLU 61 CO 0.06 -0.47 -0.02 0.21 -0.54 0.00 0.00 175.26 174.50 2k11 s LYS 62 N -3.72 0.41 0.33 4.30 2.20 -1.26 -4.43 119.74 117.57 2k11 s LYS 62 Ca 0.28 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 2k11 s LYS 62 Cb 0.03 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 2k11 s LYS 62 CO 0.16 -0.07 0.23 0.14 -0.36 0.00 0.00 175.35 175.45 2k11 s VAL 63 N -2.14 0.12 0.44 4.02 -7.23 -0.61 -4.77 120.40 110.24 2k11 s VAL 63 Ca -0.10 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 2k11 s VAL 63 Cb -0.05 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2k11 s VAL 63 CO -0.03 0.00 0.62 -0.89 -0.31 0.00 0.00 175.10 174.48 2k11 s THR 64 N -3.48 3.18 0.15 5.32 2.01 -1.26 -4.22 115.64 117.34 2k11 s THR 64 Ca 0.37 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 2k11 s THR 64 Cb 0.03 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2k11 s THR 64 CO 0.23 -0.06 0.09 0.00 -0.69 0.00 0.00 174.62 174.19 2k11 h LYS 66 N 2.78 0.14 0.00 0.00 3.64 -2.00 1.55 116.57 122.67 2k11 h LYS 66 Ca -0.35 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 2k11 h LYS 66 Cb 1.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2k11 h LYS 66 CO 0.57 0.09 -0.38 -2.95 -2.27 0.00 0.00 179.45 174.51 2k11 h ASN 67 N 0.15 0.00 0.00 4.20 7.08 -2.04 -3.47 115.58 121.50 2k11 h ASN 67 Ca 0.63 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.85 2k11 h ASN 67 Cb 1.38 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.62 2k11 h ASN 67 CO -0.73 0.38 0.00 0.61 -2.08 0.00 0.00 177.43 175.61 2k11 n GLY 68 N 0.19 1.20 3.71 9.14 0.00 0.53 -5.10 105.19 114.86 2k11 n GLY 68 Ca -0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.88 2.54 -0.14 1.61 -0.21 -1.26 -4.76 119.66 116.55 2k11 s GLN 69 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2k11 s GLN 69 Cb 0.00 -2.36 0.13 0.00 1.00 0.00 0.00 33.01 31.78 2k11 s GLN 69 CO 0.00 0.41 1.69 0.41 -2.12 0.00 0.00 175.29 175.69 2k11 n GLY 70 N -0.68 3.05 0.03 3.09 0.00 -1.26 -3.09 105.19 106.33 2k11 n GLY 70 Ca -0.08 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.57 0.23 -4.76 1.61 5.15 -1.26 -4.78 115.26 112.02 2k11 n ASN 71 Ca 0.15 0.53 -0.22 0.00 -0.60 0.00 0.00 54.58 54.44 2k11 n ASN 71 Cb 0.64 -0.59 -0.05 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.25 -0.40 -0.05 0.00 1.51 -0.78 -1.57 117.35 113.80 2k11 s TYR 73 Ca 0.34 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.81 2k11 s TYR 73 Cb -0.06 0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 42.11 2k11 s TYR 73 CO 0.23 -0.67 -0.15 0.15 -1.11 0.00 0.00 175.55 174.00 2k11 s LYS 74 N -2.76 2.49 0.27 -0.62 1.02 -1.26 -2.24 119.74 116.64 2k11 s LYS 74 Ca -0.04 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 2k11 s LYS 74 Cb -0.00 -2.36 -0.12 0.00 -0.52 0.00 0.00 37.83 34.83 2k11 s LYS 74 CO -0.04 0.61 1.61 -1.13 -0.92 0.00 0.00 175.35 175.47 2k11 n SER 75 N 2.35 3.79 0.00 2.83 3.41 -0.70 -4.40 113.62 120.90 2k11 n SER 75 Ca -0.17 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2k11 n SER 75 Cb 0.52 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2k11 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k11 n ASN 76 N 2.55 0.00 -3.07 4.04 2.85 -1.26 -4.72 115.26 115.65 2k11 n ASN 76 Ca 0.10 0.49 -0.10 0.00 -0.11 0.00 0.00 54.58 54.96 2k11 n ASN 76 Cb 0.36 -0.49 0.01 0.00 1.24 0.00 0.00 39.78 40.90 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 -2.97 0.14 0.95 1.20 0.01 -1.26 -5.11 113.70 106.66 2k11 s SER 77 Ca 0.00 -1.16 -0.12 0.00 1.31 0.00 0.00 55.95 55.98 2k11 s SER 77 Cb 0.00 0.81 0.16 0.00 0.21 0.00 0.00 66.02 67.20 2k11 s SER 77 CO 0.00 -1.59 1.09 -0.94 0.41 0.00 0.00 173.24 172.21 2k11 s SER 78 N -3.09 2.89 -0.19 2.44 1.04 -1.26 -4.15 113.70 111.38 2k11 s SER 78 Ca 0.18 1.59 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 2k11 s SER 78 Cb -0.04 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.88 2k11 s SER 78 CO 0.13 -3.02 0.50 -0.04 0.98 0.00 0.00 173.24 171.79 2k11 s MET 79 N -4.80 0.58 0.27 4.02 -1.94 -0.41 -4.69 119.30 112.33 2k11 s MET 79 Ca 0.65 0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 55.03 2k11 s MET 79 Cb -0.20 0.27 -0.12 0.00 2.01 0.00 0.00 34.83 36.79 2k11 s MET 79 CO 0.59 -0.08 1.64 -1.01 -0.01 0.00 0.00 175.02 176.15 2k11 s HIS 80 N 0.34 2.78 0.13 -0.03 3.76 -1.26 -1.62 115.29 119.39 2k11 s HIS 80 Ca -0.01 0.64 -0.23 0.00 -0.15 0.00 0.00 55.06 55.32 2k11 s HIS 80 Cb -0.04 -4.11 0.06 0.00 1.11 0.00 0.00 32.58 29.61 2k11 s HIS 80 CO -0.00 -3.86 0.58 0.96 -0.85 0.00 0.00 174.74 171.57 2k11 s ILE 81 N 0.34 0.01 -0.27 0.60 -0.00 -0.85 -1.35 121.20 119.67 2k11 s ILE 81 Ca 0.67 -0.08 0.03 0.00 -0.00 0.00 0.00 60.65 61.26 2k11 s ILE 81 Cb -0.49 -1.02 0.07 0.00 -0.00 0.00 0.00 42.46 41.02 2k11 s ILE 81 CO 0.44 -0.05 -0.06 -0.89 -0.00 0.00 0.00 174.94 174.38 2k11 s THR 82 N -3.47 2.06 0.26 8.37 2.01 -1.01 -2.95 115.64 120.91 2k11 s THR 82 Ca -0.00 -1.72 -0.30 0.00 0.31 0.00 0.00 61.69 59.97 2k11 s THR 82 Cb -0.01 -2.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 2k11 s THR 82 CO -0.10 -0.18 1.49 -1.81 -0.69 0.00 0.00 174.62 173.32 2k11 s ASP 83 N 1.12 6.57 -0.28 3.53 1.01 -0.72 -0.70 116.67 127.19 2k11 s ASP 83 Ca -0.04 2.75 -0.02 0.00 0.71 0.00 0.00 52.55 55.96 2k11 s ASP 83 Cb -0.20 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.20 2k11 s ASP 83 CO -0.06 -0.77 0.09 0.00 0.21 0.00 0.00 175.17 174.64 2k11 s ARG 85 N 1.77 1.21 0.41 0.00 3.52 -1.14 0.14 118.95 124.86 2k11 s ARG 85 Ca 0.07 -0.40 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 2k11 s ARG 85 Cb -0.17 -1.10 -0.11 0.00 -1.56 0.00 0.00 34.95 32.01 2k11 s ARG 85 CO -0.24 0.15 0.98 1.28 -0.81 0.00 0.00 175.30 176.65 2k11 n LEU 86 N 3.25 2.35 -4.89 -0.88 4.77 -0.99 0.22 117.00 120.83 2k11 n LEU 86 Ca -0.18 1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 56.49 2k11 n LEU 86 Cb 0.54 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 2k11 n LEU 86 CO 0.25 -1.58 -0.09 0.42 -1.33 0.00 0.00 177.39 175.06 2k11 s THR 87 N -1.27 5.35 -0.62 -5.08 -4.23 -0.90 -4.68 115.64 104.21 2k11 s THR 87 Ca 0.63 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.98 2k11 s THR 87 Cb -0.57 -3.54 -0.13 0.00 1.34 0.00 0.00 72.50 69.60 2k11 s THR 87 CO 0.57 0.40 2.46 0.59 -0.54 0.00 0.00 174.62 178.11 2k11 n ASN 88 N 1.24 1.65 0.00 3.99 3.02 -1.26 -0.34 115.26 123.57 2k11 n ASN 88 Ca -0.13 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2k11 n ASN 88 Cb 0.53 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k11 n GLY 89 N 6.26 1.37 3.16 7.41 0.00 -1.26 -5.10 105.19 117.03 2k11 n GLY 89 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.67 4.93 0.11 1.61 0.01 0.54 -5.03 113.70 114.21 2k11 s SER 90 Ca 0.00 -1.38 0.01 0.00 1.31 0.00 0.00 55.95 55.89 2k11 s SER 90 Cb 0.00 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2k11 s SER 90 CO 0.00 -0.29 -0.03 -0.13 0.41 0.00 0.00 173.24 173.20 2k11 s ARG 91 N 1.23 0.88 0.24 12.44 1.81 -0.06 -4.69 118.95 130.80 2k11 s ARG 91 Ca -0.03 -1.38 -0.31 0.00 -1.72 0.00 0.00 55.73 52.29 2k11 s ARG 91 Cb -0.20 -0.10 -0.14 0.00 -0.45 0.00 0.00 34.95 34.06 2k11 s ARG 91 CO -0.02 -0.09 1.25 0.98 -0.68 0.00 0.00 175.30 176.74 2k11 n TYR 92 N -0.08 1.74 0.24 -0.53 4.19 -1.26 0.32 117.16 121.78 2k11 n TYR 92 Ca -0.10 0.57 0.12 0.00 3.31 0.00 0.00 57.90 61.80 2k11 n TYR 92 Cb 0.62 -2.36 0.56 0.00 0.49 0.00 0.00 39.34 38.64 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 3.39 0.00 -6.17 2.98 0.13 -2.00 -3.50 132.00 126.84 2k11 h PRO 93 Ca -0.44 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.05 2k11 h PRO 93 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2k11 h PRO 93 CO 0.70 0.17 1.16 0.09 -0.23 0.00 0.00 178.00 179.89 2k11 n ASN 94 N -3.40 3.01 -0.23 1.44 4.13 0.96 -4.83 115.26 116.34 2k11 n ASN 94 Ca -0.00 0.82 0.08 0.00 1.68 0.00 0.00 54.58 57.16 2k11 n ASN 94 Cb 0.37 -1.32 0.14 0.00 -1.54 0.00 0.00 39.78 37.42 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k11 n ALA 96 N -1.04 0.44 -2.01 0.00 0.00 -1.26 -4.49 120.51 112.14 2k11 n ALA 96 Ca 0.14 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2k11 n ALA 96 Cb 0.62 -2.45 0.10 0.00 0.00 0.00 0.00 19.45 17.72 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 9.11 1.24 -0.38 0.00 2.02 -1.26 -2.11 117.35 125.97 2k11 s TYR 97 Ca 1.25 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 57.40 2k11 s TYR 97 Cb -1.05 -2.69 0.10 0.00 -0.40 0.00 0.00 41.96 37.92 2k11 s TYR 97 CO 0.47 -1.64 0.15 0.50 -1.57 0.00 0.00 175.55 173.46 2k11 s ARG 98 N -5.01 2.06 -0.42 -0.62 3.00 0.58 -4.57 118.95 113.98 2k11 s ARG 98 Ca 0.66 -1.70 -0.29 0.00 -1.00 0.00 0.00 55.73 53.40 2k11 s ARG 98 Cb -0.04 -3.48 0.02 0.00 0.00 0.00 0.00 34.95 31.45 2k11 s ARG 98 CO 0.43 -0.97 1.18 0.99 0.00 0.00 0.00 175.30 176.94 2k11 s THR 99 N 1.15 4.22 -0.39 4.11 2.01 -1.25 -2.88 115.64 122.62 2k11 s THR 99 Ca 0.06 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.34 2k11 s THR 99 Cb -0.22 -4.46 0.11 0.00 0.01 0.00 0.00 72.50 67.94 2k11 s THR 99 CO -0.04 -0.80 0.17 -0.55 -0.69 0.00 0.00 174.62 172.71 2k11 s SER 100 N 2.52 5.16 -0.00 3.53 0.15 -0.03 -4.66 113.70 120.37 2k11 s SER 100 Ca 0.50 -2.01 -0.30 0.00 0.70 0.00 0.00 55.95 54.84 2k11 s SER 100 Cb -0.10 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 2k11 s SER 100 CO 0.27 -0.50 1.45 -2.16 1.20 0.00 0.00 173.24 173.50 2k11 s PRO 101 N 1.11 4.26 0.16 5.44 0.04 -1.25 -1.75 135.00 143.00 2k11 s PRO 101 Ca 0.08 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.90 2k11 s PRO 101 Cb -0.22 -3.62 0.07 0.00 0.04 0.00 0.00 34.50 30.77 2k11 s PRO 101 CO -0.05 -0.63 1.03 0.15 0.04 0.00 0.00 177.00 177.54 2k11 s LYS 102 N 2.62 1.19 -0.19 4.56 1.02 -1.15 -5.01 119.74 122.78 2k11 s LYS 102 Ca 0.66 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.89 2k11 s LYS 102 Cb -0.32 0.37 0.08 0.00 -0.52 0.00 0.00 37.83 37.43 2k11 s LYS 102 CO 0.27 -0.55 0.16 -1.83 -0.92 0.00 0.00 175.35 172.47 2k11 s GLU 103 N -2.67 0.13 0.23 1.68 -1.05 -1.26 -2.00 118.70 113.75 2k11 s GLU 103 Ca 0.17 0.06 -0.13 0.00 -0.15 0.00 0.00 54.97 54.92 2k11 s GLU 103 Cb -0.01 -1.51 0.00 0.00 -0.44 0.00 0.00 34.13 32.17 2k11 s GLU 103 CO 0.03 -0.66 0.47 0.50 0.95 0.00 0.00 175.26 176.55 2k11 s ARG 104 N 2.23 1.47 1.11 -4.83 6.06 -0.64 -4.58 118.95 119.77 2k11 s ARG 104 Ca 0.04 -1.16 -0.17 0.00 -2.50 0.00 0.00 55.73 51.95 2k11 s ARG 104 Cb -0.16 0.47 0.17 0.00 0.06 0.00 0.00 34.95 35.50 2k11 s ARG 104 CO -0.11 -0.61 0.27 0.72 -2.50 0.00 0.00 175.30 173.07 2k11 n HIS 105 N -0.35 -2.14 -3.48 5.12 8.25 -1.26 -1.29 115.22 120.07 2k11 n HIS 105 Ca -0.04 -0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 2k11 n HIS 105 Cb 0.62 -1.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.14 0.01 -0.17 1.59 -4.36 -1.26 -1.88 121.20 112.98 2k11 s ILE 106 Ca 0.48 -0.09 0.01 0.00 -0.26 0.00 0.00 60.65 60.79 2k11 s ILE 106 Cb -0.09 -1.01 0.03 0.00 1.25 0.00 0.00 42.46 42.63 2k11 s ILE 106 CO 0.49 -0.05 -0.14 -0.63 0.24 0.00 0.00 174.94 174.85 2k11 s ILE 107 N -3.16 1.71 0.24 8.37 1.09 -0.35 -1.72 121.20 127.37 2k11 s ILE 107 Ca -0.02 -0.81 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 2k11 s ILE 107 Cb -0.01 -1.63 -0.05 0.00 -1.06 0.00 0.00 42.46 39.71 2k11 s ILE 107 CO -0.08 0.39 -0.09 0.68 -0.10 0.00 0.00 174.94 175.74 2k11 s VAL 108 N 1.41 1.65 -0.42 2.92 -7.23 -0.95 -0.74 120.40 117.05 2k11 s VAL 108 Ca 0.03 -2.16 -0.06 0.00 -1.81 0.00 0.00 61.98 57.98 2k11 s VAL 108 Cb -0.14 -2.26 0.10 0.00 0.56 0.00 0.00 36.38 34.64 2k11 s VAL 108 CO -0.10 -0.43 0.24 0.00 -0.31 0.00 0.00 175.10 174.49 2k11 s ALA 109 N -3.02 3.23 0.18 1.32 0.00 -0.48 -1.86 121.76 121.12 2k11 s ALA 109 Ca 0.26 -2.38 -0.02 0.00 0.00 0.00 0.00 51.96 49.82 2k11 s ALA 109 Cb 0.02 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2k11 s ALA 109 CO 0.09 -1.75 0.39 0.00 0.00 0.00 0.00 175.76 174.49 2k11 s GLU 111 N -3.07 1.38 2.88 0.00 -6.30 -0.13 -4.82 118.70 108.65 2k11 s GLU 111 Ca 0.39 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 2k11 s GLU 111 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 34.13 34.41 2k11 s GLU 111 CO 0.28 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2k11 n GLY 112 N -0.66 -0.08 3.53 -1.50 0.00 -1.26 -3.53 105.19 101.68 2k11 n GLY 112 Ca -0.04 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.86 0.99 1.61 0.15 -1.26 -4.05 113.70 106.29 2k11 s SER 113 Ca 0.00 1.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.90 2k11 s SER 113 Cb 0.00 1.71 0.18 0.00 -1.71 0.00 0.00 66.02 66.20 2k11 s SER 113 CO 0.00 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.15 2k11 s PRO 114 N 2.34 0.50 -0.50 5.44 0.04 -1.26 -5.02 135.00 136.54 2k11 s PRO 114 Ca -0.07 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 61.26 2k11 s PRO 114 Cb -0.10 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2k11 s PRO 114 CO -0.17 -2.69 2.09 -0.47 0.04 0.00 0.00 177.00 175.80 2k11 s TYR 115 N -2.96 1.41 0.09 0.56 5.04 -1.26 -4.83 117.35 115.41 2k11 s TYR 115 Ca 0.65 1.05 0.03 0.00 -2.44 0.00 0.00 57.07 56.37 2k11 s TYR 115 Cb -0.19 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 2k11 s TYR 115 CO 0.58 -2.61 -0.10 0.14 -1.34 0.00 0.00 175.55 172.21 2k11 s VAL 116 N 9.97 0.89 -0.20 3.14 -7.23 -1.23 -4.88 120.40 120.86 2k11 s VAL 116 Ca 0.83 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 2k11 s VAL 116 Cb -0.17 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 2k11 s VAL 116 CO 0.25 -0.56 1.60 -2.16 -0.31 0.00 0.00 175.10 173.93 2k11 s PRO 117 N -2.73 3.85 -0.02 4.82 0.04 -1.26 -0.95 135.00 138.74 2k11 s PRO 117 Ca 0.04 1.70 0.12 0.00 0.04 0.00 0.00 61.00 62.90 2k11 s PRO 117 Cb -0.03 -4.02 0.36 0.00 0.04 0.00 0.00 34.50 30.85 2k11 s PRO 117 CO -0.00 -1.23 1.29 1.33 0.04 0.00 0.00 177.00 178.43 2k11 n VAL 118 N 6.28 1.18 -3.56 -0.36 0.24 -0.73 -4.79 118.33 116.59 2k11 n VAL 118 Ca 0.18 -1.11 -0.10 0.00 -2.04 0.00 0.00 64.34 61.27 2k11 n VAL 118 Cb 0.45 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.24 -0.38 -0.09 6.34 5.65 -1.15 -4.60 115.29 119.83 2k11 s HIS 119 Ca 0.27 0.58 0.01 0.00 0.25 0.00 0.00 55.06 56.17 2k11 s HIS 119 Cb 0.16 0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 32.00 2k11 s HIS 119 CO 0.16 -0.39 -0.10 0.12 -0.65 0.00 0.00 174.74 173.88 2k11 s PHE 120 N -1.50 2.86 0.00 3.88 2.19 -1.26 -1.38 117.98 122.77 2k11 s PHE 120 Ca -0.01 -0.19 0.00 0.00 0.33 0.00 0.00 56.93 57.06 2k11 s PHE 120 Cb -0.01 -1.75 0.00 0.00 -1.31 0.00 0.00 43.02 39.96 2k11 s PHE 120 CO 0.00 0.14 0.00 -3.47 1.83 0.00 0.00 175.22 173.72 2k11 n ASP 121 N 2.68 0.00 -3.57 6.13 -0.08 0.08 -4.91 116.55 116.87 2k11 n ASP 121 Ca -0.18 0.02 -0.07 0.00 -1.51 0.00 0.00 54.79 53.06 2k11 n ASP 121 Cb 0.53 -0.23 -0.03 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 -4.03 -1.97 0.38 -1.67 0.00 -1.09 -5.02 121.76 108.37 2k11 s ALA 122 Ca 0.00 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 2k11 s ALA 122 Cb 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 2k11 s ALA 122 CO 0.00 -0.50 0.87 -1.54 0.00 0.00 0.00 175.76 174.59 2k11 s SER 123 N -1.83 6.91 0.57 0.00 1.04 -1.26 -1.22 113.70 117.91 2k11 s SER 123 Ca 0.05 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.11 2k11 s SER 123 Cb -0.01 -2.48 0.08 0.00 0.10 0.00 0.00 66.02 63.71 2k11 s SER 123 CO -0.04 -0.27 0.78 -0.69 0.98 0.00 0.00 173.24 173.99 2k11 s VAL 124 N -2.05 2.28 -0.02 5.02 1.01 -0.79 -4.92 120.40 120.93 2k11 s VAL 124 Ca 0.58 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2k11 s VAL 124 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2k11 s VAL 124 CO 0.15 0.00 0.01 -0.62 0.00 0.00 0.00 175.10 174.64 2k11 n GLU 125 N -2.25 3.56 -3.56 2.72 1.02 -1.26 -4.32 120.64 116.55 2k11 n GLU 125 Ca 0.14 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 2k11 n GLU 125 Cb 0.61 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.96 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 -3.28 -0.44 0.00 1.62 2.15 -1.26 -4.91 116.67 110.55 2k11 s ASP 126 Ca -0.01 -0.17 0.03 0.00 0.43 0.00 0.00 52.55 52.83 2k11 s ASP 126 Cb 0.01 0.58 0.15 0.00 -0.30 0.00 0.00 42.92 43.36 2k11 s ASP 126 CO 0.08 -0.99 0.64 -0.24 -0.17 0.00 0.00 175.17 174.49