#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 n GLU 2 N 0.00 -7.54 -0.39 1.64 2.13 -1.26 -4.97 120.64 110.25 2k11 n GLU 2 Ca 0.00 0.83 -0.25 0.00 0.66 0.00 0.00 57.16 58.40 2k11 n GLU 2 Cb 0.00 -5.86 0.22 0.00 0.27 0.00 0.00 31.44 26.07 2k11 n GLU 2 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k11 n SER 3 N -3.03 -3.42 0.23 4.31 7.64 -1.26 -4.87 113.62 113.23 2k11 n SER 3 Ca -0.08 -0.58 -0.10 0.00 1.01 0.00 0.00 58.87 59.12 2k11 n SER 3 Cb 0.59 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2k11 n SER 3 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2k11 h ARG 4 N -3.10 -0.63 -0.55 1.43 9.65 -2.02 -3.18 114.38 115.98 2k11 h ARG 4 Ca -0.36 0.04 0.16 0.00 -1.10 0.00 0.00 59.98 58.73 2k11 h ARG 4 Cb 1.08 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 2k11 h ARG 4 CO 0.23 -0.42 0.49 0.00 2.80 0.00 0.00 179.97 183.06 2k11 h ALA 5 N -1.19 2.37 -0.61 2.80 0.00 -1.91 -0.56 119.26 120.16 2k11 h ALA 5 Ca -0.07 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k11 h ALA 5 Cb 0.50 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2k11 h ALA 5 CO 0.11 -0.77 0.30 0.87 0.00 0.00 0.00 179.25 179.76 2k11 h LYS 6 N 0.00 0.53 -0.73 0.00 1.57 -1.89 -1.28 116.57 114.77 2k11 h LYS 6 Ca 0.26 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2k11 h LYS 6 Cb 1.23 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 2k11 h LYS 6 CO -0.00 0.35 0.49 -0.22 -0.57 0.00 0.00 179.45 179.50 2k11 h LYS 7 N 0.55 0.96 -0.26 3.15 3.64 -1.17 -1.55 116.57 121.89 2k11 h LYS 7 Ca 0.29 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2k11 h LYS 7 Cb 0.25 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2k11 h LYS 7 CO -0.22 0.64 0.05 0.35 -2.27 0.00 0.00 179.45 177.99 2k11 h PHE 8 N 0.99 0.38 0.66 1.91 3.57 -1.29 -1.70 116.94 121.46 2k11 h PHE 8 Ca 0.27 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2k11 h PHE 8 Cb -0.10 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.53 2k11 h PHE 8 CO -0.00 0.35 -0.32 1.96 -2.23 0.00 0.00 178.31 178.07 2k11 h GLN 9 N 0.37 -0.85 0.00 1.11 7.50 -0.91 -1.65 115.11 120.68 2k11 h GLN 9 Ca 0.09 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2k11 h GLN 9 Cb 0.18 0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.90 2k11 h GLN 9 CO -0.00 -0.53 0.00 0.54 -1.50 0.00 0.00 178.83 177.34 2k11 n ARG 10 N -5.41 0.74 -0.11 1.46 1.74 -1.15 -0.84 116.66 113.08 2k11 n ARG 10 Ca -0.13 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.77 2k11 n ARG 10 Cb 0.37 -1.17 -0.07 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 -0.67 0.55 -0.01 5.56 6.02 -0.65 -4.87 117.38 123.31 2k11 n GLN 11 Ca 0.06 0.30 -0.02 0.00 -0.01 0.00 0.00 57.00 57.33 2k11 n GLN 11 Cb 0.03 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 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 -4.39 0.00 -2.04 1.08 8.25 -0.66 -4.91 115.22 112.55 2k11 n HIS 12 Ca -0.32 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.75 2k11 n HIS 12 Cb 0.66 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 2.77 -0.11 -0.41 -1.94 -0.02 0.00 119.30 117.54 2k11 s MET 13 Ca -0.03 0.75 0.15 0.00 -1.71 0.00 0.00 55.69 54.85 2k11 s MET 13 Cb 0.01 -4.35 0.29 0.00 2.01 0.00 0.00 34.83 32.79 2k11 s MET 13 CO 0.06 -2.56 1.18 -3.47 -0.01 0.00 0.00 175.02 170.23 2k11 n ASP 14 N 12.24 2.60 -0.20 3.03 2.03 -0.66 -4.23 116.55 131.36 2k11 n ASP 14 Ca 0.21 -2.84 0.13 0.00 0.52 0.00 0.00 54.79 52.80 2k11 n ASP 14 Cb 0.51 -0.37 0.25 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.02 0.03 -0.33 1.67 3.41 -0.44 0.11 113.62 117.06 2k11 n SER 15 Ca 0.14 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2k11 n SER 15 Cb 0.61 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 64.20 2k11 n SER 15 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k11 h ASP 16 N 0.00 -1.17 -2.20 4.04 3.32 -1.87 -3.41 116.42 115.13 2k11 h ASP 16 Ca 0.42 0.28 -0.29 0.00 0.02 0.00 0.00 57.03 57.47 2k11 h ASP 16 Cb 0.99 0.65 0.16 0.00 0.22 0.00 0.00 39.33 41.35 2k11 h ASP 16 CO -0.53 -0.30 -0.39 -0.24 -1.72 0.00 0.00 179.24 176.06 2k11 n SER 17 N -5.50 -3.08 -4.38 6.45 2.88 0.31 -5.03 113.62 105.27 2k11 n SER 17 Ca 0.10 -0.42 -0.24 0.00 -1.33 0.00 0.00 58.87 56.98 2k11 n SER 17 Cb 0.41 -0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 62.91 2k11 n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k11 s SER 18 N -2.14 3.05 1.01 -3.46 0.01 -1.26 -5.09 113.70 105.82 2k11 s SER 18 Ca 0.45 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 2k11 s SER 18 Cb -0.08 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2k11 s SER 18 CO 0.43 0.03 0.04 -0.81 0.41 0.00 0.00 173.24 173.35 2k11 n PRO 19 N 0.22 -1.11 -2.75 12.44 -0.04 -1.26 -4.19 135.00 138.31 2k11 n PRO 19 Ca -0.12 -0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 2k11 n PRO 19 Cb 0.57 -0.07 -0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -3.08 -4.09 -0.23 3.54 2.88 -1.26 -4.81 113.62 106.57 2k11 n SER 20 Ca 0.01 -0.02 0.08 0.00 -1.33 0.00 0.00 58.87 57.61 2k11 n SER 20 Cb 0.02 -3.43 0.14 0.00 -0.75 0.00 0.00 64.21 60.20 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 -2.01 2.59 0.16 -3.46 7.64 -1.26 -4.72 113.62 112.56 2k11 n SER 21 Ca -0.11 -2.86 0.04 0.00 1.01 0.00 0.00 58.87 56.95 2k11 n SER 21 Cb 0.59 -0.38 0.21 0.00 -1.01 0.00 0.00 64.21 63.63 2k11 n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k11 n SER 22 N -1.05 0.20 0.00 6.43 3.41 -1.26 -0.76 113.62 120.59 2k11 n SER 22 Ca 0.14 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2k11 n SER 22 Cb 0.62 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.90 0.00 -0.12 4.04 7.64 -1.26 -3.98 113.62 118.04 2k11 n SER 23 Ca -0.01 0.22 0.01 0.00 1.01 0.00 0.00 58.87 60.10 2k11 n SER 23 Cb 0.48 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.27 0.64 -0.24 0.44 -2.24 -1.15 -4.73 114.28 106.73 2k11 n THR 24 Ca 0.00 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 60.92 2k11 n THR 24 Cb 0.00 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.13 -0.15 0.08 4.78 4.19 0.06 -0.24 117.16 125.75 2k11 n TYR 25 Ca 0.02 0.75 -0.05 0.00 3.31 0.00 0.00 57.90 61.93 2k11 n TYR 25 Cb 0.20 -0.62 -0.02 0.00 0.49 0.00 0.00 39.34 39.39 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 -4.59 0.06 -0.07 0.00 2.85 -0.60 -1.02 115.26 111.88 2k11 n ASN 27 Ca -0.04 0.78 -0.07 0.00 -0.11 0.00 0.00 54.58 55.14 2k11 n ASN 27 Cb 0.12 -0.38 -0.02 0.00 1.24 0.00 0.00 39.78 40.73 2k11 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k11 n GLN 28 N -3.59 0.45 -0.04 1.20 1.13 0.66 -4.22 117.38 112.98 2k11 n GLN 28 Ca 0.29 0.25 -0.01 0.00 -1.94 0.00 0.00 57.00 55.59 2k11 n GLN 28 Cb 1.25 -1.37 -0.01 0.00 0.11 0.00 0.00 30.24 30.22 2k11 n GLN 28 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2k11 n MET 29 N -4.24 -0.04 -0.39 -1.09 2.81 0.47 0.25 117.12 114.90 2k11 n MET 29 Ca -0.11 0.74 0.33 0.00 -1.81 0.00 0.00 57.70 56.86 2k11 n MET 29 Cb 0.41 -1.11 0.65 0.00 -0.71 0.00 0.00 33.22 32.46 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 0.15 0.00 0.03 2.86 -1.58 0.43 114.93 116.83 2k11 h MET 30 Ca 0.01 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k11 h MET 30 Cb 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2k11 h MET 30 CO -0.08 0.10 -0.00 -0.09 1.06 0.00 0.00 176.91 177.90 2k11 h ARG 31 N 0.15 -0.00 -0.55 1.72 1.12 0.32 -3.11 114.38 114.03 2k11 h ARG 31 Ca 0.68 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.71 2k11 h ARG 31 Cb 2.25 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 32.19 2k11 h ARG 31 CO -0.21 -0.00 1.00 0.00 -3.11 0.00 0.00 179.97 177.64 2k11 h ARG 32 N -0.14 0.00 -0.58 0.20 3.08 0.12 1.60 114.38 118.66 2k11 h ARG 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k11 h ARG 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2k11 h ARG 32 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 2k11 n ARG 33 N -3.02 0.99 -3.78 0.04 5.12 0.11 -4.84 116.66 111.28 2k11 n ARG 33 Ca 0.12 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.79 2k11 n ARG 33 Cb 1.17 -1.29 0.03 0.00 -1.16 0.00 0.00 32.46 31.21 2k11 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2k11 n ASN 34 N -0.21 -2.59 -0.02 0.55 2.85 0.55 -4.87 115.26 111.52 2k11 n ASN 34 Ca 0.00 -0.80 0.01 0.00 -0.11 0.00 0.00 54.58 53.68 2k11 n ASN 34 Cb 0.15 -4.00 -0.01 0.00 1.24 0.00 0.00 39.78 37.15 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2k11 n MET 35 N -4.44 5.14 -0.04 1.20 1.56 -1.16 -4.59 117.12 114.77 2k11 n MET 35 Ca -0.17 -0.11 0.02 0.00 -0.27 0.00 0.00 57.70 57.17 2k11 n MET 35 Cb 0.62 -0.68 0.04 0.00 2.15 0.00 0.00 33.22 35.36 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2k11 n THR 36 N -0.85 1.05 0.64 1.12 -2.24 -1.25 -4.60 114.28 108.13 2k11 n THR 36 Ca 0.01 -1.06 0.06 0.00 -2.27 0.00 0.00 64.05 60.79 2k11 n THR 36 Cb 0.04 0.46 0.32 0.00 -2.10 0.00 0.00 70.33 69.05 2k11 n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k11 n GLN 37 N -0.32 0.27 0.00 -0.78 1.13 -1.26 -3.28 117.38 113.13 2k11 n GLN 37 Ca 0.03 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 2k11 n GLN 37 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 2k11 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k11 n GLY 38 N -0.30 0.00 3.63 1.08 0.00 -1.26 -5.13 105.19 103.21 2k11 n GLY 38 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.55 2.03 -0.39 1.61 1.70 -1.21 -5.13 118.95 116.02 2k11 s ARG 39 Ca 0.00 -1.59 -0.16 0.00 -0.47 0.00 0.00 55.73 53.51 2k11 s ARG 39 Cb 0.00 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 2k11 s ARG 39 CO 0.00 -0.89 0.39 0.00 -1.08 0.00 0.00 175.30 173.72 2k11 n LYS 41 N 5.47 1.67 0.15 0.00 0.00 -1.26 -4.88 118.16 119.31 2k11 n LYS 41 Ca -0.08 0.60 -0.12 0.00 0.00 0.00 0.00 58.31 58.71 2k11 n LYS 41 Cb 0.48 -2.24 -0.07 0.00 0.00 0.00 0.00 35.03 33.20 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 4.52 -0.43 -1.76 1.64 0.13 -1.97 -3.42 132.00 130.72 2k11 h PRO 42 Ca -0.45 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.81 2k11 h PRO 42 Cb 1.30 0.10 -0.20 0.00 0.13 0.00 0.00 31.00 32.32 2k11 h PRO 42 CO 0.78 -0.10 0.55 0.54 -0.23 0.00 0.00 178.00 179.54 2k11 s VAL 43 N -3.97 0.00 0.21 1.56 0.11 -1.26 -1.52 120.40 115.53 2k11 s VAL 43 Ca -0.12 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.71 2k11 s VAL 43 Cb 0.01 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.93 2k11 s VAL 43 CO 0.44 0.00 1.00 0.21 -3.33 0.00 0.00 175.10 173.42 2k11 s ASN 44 N -1.58 -0.01 -0.02 3.54 2.47 0.18 -4.98 114.94 114.54 2k11 s ASN 44 Ca 0.01 -0.71 0.03 0.00 0.42 0.00 0.00 52.86 52.61 2k11 s ASN 44 Cb -0.01 0.55 -0.00 0.00 -1.45 0.00 0.00 41.25 40.34 2k11 s ASN 44 CO -0.02 -1.08 -0.11 -0.89 -3.72 0.00 0.00 177.10 171.28 2k11 s THR 45 N -2.29 0.91 0.42 -5.21 2.01 -1.26 -1.37 115.64 108.85 2k11 s THR 45 Ca 0.20 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2k11 s THR 45 Cb -0.03 -0.78 0.04 0.00 0.01 0.00 0.00 72.50 71.74 2k11 s THR 45 CO 0.06 0.27 0.32 0.49 -0.69 0.00 0.00 174.62 175.07 2k11 n PHE 46 N 3.07 -0.81 -3.94 4.92 3.01 -0.00 -4.55 117.46 119.16 2k11 n PHE 46 Ca -0.16 -1.79 -0.11 0.00 1.01 0.00 0.00 57.45 56.40 2k11 n PHE 46 Cb 0.55 -0.35 -0.13 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.10 0.09 -0.27 -4.37 1.01 0.10 -2.64 120.40 112.22 2k11 s VAL 47 Ca 0.24 -0.45 0.15 0.00 0.00 0.00 0.00 61.98 61.93 2k11 s VAL 47 Cb -0.02 -0.16 0.43 0.00 0.00 0.00 0.00 36.38 36.63 2k11 s VAL 47 CO 0.15 -0.23 1.33 1.41 0.00 0.00 0.00 175.10 177.76 2k11 n HIS 48 N 2.37 0.65 -4.37 5.22 8.25 0.11 -1.33 115.22 126.12 2k11 n HIS 48 Ca -0.18 -0.82 -0.19 0.00 -0.26 0.00 0.00 57.72 56.27 2k11 n HIS 48 Cb 0.58 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.47 1.40 0.53 -0.41 0.41 -1.21 -4.70 118.70 112.24 2k11 s GLU 49 Ca 0.35 -1.65 -0.20 0.00 -0.41 0.00 0.00 54.97 53.06 2k11 s GLU 49 Cb 0.28 -1.11 -0.06 0.00 -1.78 0.00 0.00 34.13 31.46 2k11 s GLU 49 CO 0.08 0.13 1.14 -1.25 -0.49 0.00 0.00 175.26 174.87 2k11 s PRO 50 N -3.68 3.43 0.06 0.39 0.04 -1.26 -4.49 135.00 129.48 2k11 s PRO 50 Ca 0.25 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 2k11 s PRO 50 Cb 0.01 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2k11 s PRO 50 CO 0.08 -0.79 1.27 1.25 0.04 0.00 0.00 177.00 178.85 2k11 h LEU 51 N 1.36 -0.84 -0.74 -3.56 5.85 -2.00 -0.70 115.31 114.67 2k11 h LEU 51 Ca -0.50 0.10 0.27 0.00 0.84 0.00 0.00 57.88 58.59 2k11 h LEU 51 Cb 1.26 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 42.52 2k11 h LEU 51 CO 0.57 -0.25 0.45 0.55 -0.34 0.00 0.00 178.44 179.42 2k11 n VAL 52 N -3.98 -0.19 0.18 1.05 3.14 -1.26 0.20 118.33 117.46 2k11 n VAL 52 Ca -0.03 1.14 -0.14 0.00 -2.96 0.00 0.00 64.34 62.34 2k11 n VAL 52 Cb 0.19 -1.86 -0.08 0.00 -1.06 0.00 0.00 33.84 31.03 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 0.25 6.55 3.58 -1.50 -2.53 116.42 122.43 2k11 h ASP 53 Ca 0.52 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.78 2k11 h ASP 53 Cb 1.57 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.69 2k11 h ASP 53 CO -0.35 -0.14 -0.48 0.58 -2.88 0.00 0.00 179.24 175.97 2k11 h VAL 54 N -0.54 1.33 -0.60 2.25 2.07 0.23 -3.13 116.25 117.87 2k11 h VAL 54 Ca -0.04 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 65.87 2k11 h VAL 54 Cb 0.40 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2k11 h VAL 54 CO 0.07 0.50 0.29 1.56 0.02 0.00 0.00 177.57 180.01 2k11 h GLN 55 N 0.22 0.52 -0.74 1.57 4.20 -0.61 -0.54 115.11 119.74 2k11 h GLN 55 Ca 0.01 -0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.89 2k11 h GLN 55 Cb 0.92 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 2k11 h GLN 55 CO 0.08 0.35 0.52 -0.91 -0.67 0.00 0.00 178.83 178.19 2k11 h ASN 56 N 0.54 0.09 -0.24 1.46 2.35 -1.39 0.18 115.58 118.58 2k11 h ASN 56 Ca 0.28 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.11 2k11 h ASN 56 Cb 0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2k11 h ASN 56 CO -0.22 0.04 0.17 0.58 -1.65 0.00 0.00 177.43 176.36 2k11 h VAL 57 N 0.10 0.89 0.00 2.81 2.07 -1.21 0.43 116.25 121.33 2k11 h VAL 57 Ca 0.36 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2k11 h VAL 57 Cb 1.27 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k11 h VAL 57 CO -0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.55 2k11 n PHE 59 N -2.29 0.00 0.48 0.00 3.72 0.44 -4.78 117.46 115.02 2k11 n PHE 59 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.22 2k11 n PHE 59 Cb 0.14 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.00 -1.17 -4.87 -1.08 4.20 -0.12 -3.47 115.11 108.61 2k11 h GLN 60 Ca -0.04 0.08 -0.42 0.00 0.06 0.00 0.00 58.65 58.33 2k11 h GLN 60 Cb 0.87 0.26 -0.14 0.00 0.30 0.00 0.00 27.48 28.78 2k11 h GLN 60 CO 0.00 -0.78 -0.55 -2.00 -0.67 0.00 0.00 178.83 174.84 2k11 s GLU 61 N -5.65 1.61 0.03 1.46 2.12 -1.12 -4.99 118.70 112.16 2k11 s GLU 61 Ca -0.18 -1.92 0.01 0.00 0.36 0.00 0.00 54.97 53.24 2k11 s GLU 61 Cb 0.02 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 2k11 s GLU 61 CO 0.53 -0.49 -0.05 -1.59 -0.54 0.00 0.00 175.26 173.12 2k11 s LYS 62 N -3.77 0.40 0.32 4.30 0.00 -1.26 -4.40 119.74 115.33 2k11 s LYS 62 Ca 0.36 -0.68 0.05 0.00 0.00 0.00 0.00 55.97 55.70 2k11 s LYS 62 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 37.83 37.79 2k11 s LYS 62 CO 0.19 -0.01 0.29 0.14 0.00 0.00 0.00 175.35 175.96 2k11 s VAL 63 N -1.45 0.00 0.41 1.79 -7.23 0.20 -4.77 120.40 109.35 2k11 s VAL 63 Ca -0.13 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2k11 s VAL 63 Cb -0.10 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2k11 s VAL 63 CO -0.00 0.00 0.33 -0.89 -0.31 0.00 0.00 175.10 174.22 2k11 s THR 64 N -3.48 2.61 0.20 5.32 2.01 -1.26 -4.30 115.64 116.73 2k11 s THR 64 Ca 0.39 -1.43 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2k11 s THR 64 Cb 0.03 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2k11 s THR 64 CO 0.25 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.17 2k11 h LYS 66 N 2.61 -0.07 0.00 0.00 1.79 -2.01 1.46 116.57 120.34 2k11 h LYS 66 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2k11 h LYS 66 Cb 1.21 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2k11 h LYS 66 CO 0.63 -0.05 0.00 -0.97 -1.08 0.00 0.00 179.45 177.98 2k11 h ASN 67 N -0.08 0.00 -0.03 0.86 -1.24 -2.06 -3.46 115.58 109.58 2k11 h ASN 67 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.31 2k11 h ASN 67 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 2k11 h ASN 67 CO -0.84 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 175.91 2k11 n GLY 68 N -0.09 1.28 3.90 1.57 0.00 0.50 -5.08 105.19 107.26 2k11 n GLY 68 Ca 0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.27 2.67 0.00 1.61 -0.21 -1.26 -4.75 119.66 115.46 2k11 s GLN 69 Ca 0.00 0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.74 2k11 s GLN 69 Cb 0.00 -2.07 0.21 0.00 1.00 0.00 0.00 33.01 32.15 2k11 s GLN 69 CO 0.00 -1.08 1.09 0.41 -2.12 0.00 0.00 175.29 173.59 2k11 n GLY 70 N -2.97 1.56 0.30 3.09 0.00 -1.26 -3.51 105.19 102.40 2k11 n GLY 70 Ca 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 0.53 0.88 -4.68 1.61 6.94 -1.26 -4.81 115.26 114.47 2k11 n ASN 71 Ca 0.09 -1.88 -0.35 0.00 -0.02 0.00 0.00 54.58 52.43 2k11 n ASN 71 Cb 0.36 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 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 -0.36 0.48 -0.04 0.00 1.51 -0.88 -0.63 117.35 117.44 2k11 s TYR 73 Ca 0.08 -0.91 0.05 0.00 -1.01 0.00 0.00 57.07 55.29 2k11 s TYR 73 Cb -0.12 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 2k11 s TYR 73 CO 0.02 -0.54 -0.20 0.15 -1.11 0.00 0.00 175.55 173.87 2k11 s LYS 74 N -3.95 1.93 -0.09 -0.62 1.02 -1.26 -2.35 119.74 114.42 2k11 s LYS 74 Ca 0.13 -0.71 -0.32 0.00 0.02 0.00 0.00 55.97 55.09 2k11 s LYS 74 Cb 0.06 -1.71 -0.10 0.00 -0.52 0.00 0.00 37.83 35.56 2k11 s LYS 74 CO -0.05 0.33 1.99 -1.13 -0.92 0.00 0.00 175.35 175.57 2k11 n SER 75 N 2.94 3.53 -0.25 2.83 3.41 -1.01 -4.40 113.62 120.67 2k11 n SER 75 Ca -0.17 0.79 0.03 0.00 -0.26 0.00 0.00 58.87 59.26 2k11 n SER 75 Cb 0.53 -1.43 0.07 0.00 -0.26 0.00 0.00 64.21 63.12 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 7.93 -0.31 -4.51 4.04 4.05 -1.26 -4.53 115.26 120.67 2k11 n ASN 76 Ca 0.24 1.19 -0.30 0.00 0.45 0.00 0.00 54.58 56.17 2k11 n ASN 76 Cb 0.34 -0.33 -0.08 0.00 1.23 0.00 0.00 39.78 40.94 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2k11 s SER 77 N -5.20 3.62 1.12 1.20 1.04 -1.26 -5.05 113.70 109.18 2k11 s SER 77 Ca -0.10 -1.66 -0.14 0.00 0.48 0.00 0.00 55.95 54.52 2k11 s SER 77 Cb 0.17 0.51 0.20 0.00 0.10 0.00 0.00 66.02 67.00 2k11 s SER 77 CO 0.52 -0.88 0.66 -1.54 0.98 0.00 0.00 173.24 172.99 2k11 n SER 78 N -1.28 -1.80 -3.58 7.02 3.41 -1.26 -4.30 113.62 111.83 2k11 n SER 78 Ca -0.14 -0.07 -0.17 0.00 -0.26 0.00 0.00 58.87 58.24 2k11 n SER 78 Cb 0.66 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.37 2k11 n SER 78 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2k11 s MET 79 N -4.06 0.95 -0.08 4.33 1.75 -0.79 -4.66 119.30 116.73 2k11 s MET 79 Ca 0.64 0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 55.06 2k11 s MET 79 Cb -0.21 0.44 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 2k11 s MET 79 CO 0.65 -0.27 1.62 -1.01 -0.65 0.00 0.00 175.02 175.36 2k11 s HIS 80 N -0.97 2.06 0.15 4.11 3.76 -1.26 0.16 115.29 123.29 2k11 s HIS 80 Ca -0.10 0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.07 2k11 s HIS 80 Cb -0.02 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 2k11 s HIS 80 CO 0.08 -3.58 0.15 0.96 -0.85 0.00 0.00 174.74 171.49 2k11 s ILE 81 N 4.12 0.09 -0.30 0.60 -0.00 0.19 0.04 121.20 125.94 2k11 s ILE 81 Ca 0.72 -1.70 0.02 0.00 -0.00 0.00 0.00 60.65 59.68 2k11 s ILE 81 Cb -0.32 -1.97 0.09 0.00 -0.00 0.00 0.00 42.46 40.26 2k11 s ILE 81 CO 0.28 -0.39 0.02 -0.89 -0.00 0.00 0.00 174.94 173.96 2k11 s THR 82 N -4.02 1.72 0.59 8.37 2.01 -1.08 -2.66 115.64 120.58 2k11 s THR 82 Ca 0.22 -1.76 -0.19 0.00 0.31 0.00 0.00 61.69 60.26 2k11 s THR 82 Cb 0.06 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2k11 s THR 82 CO 0.01 -0.44 1.27 -0.62 -0.69 0.00 0.00 174.62 174.16 2k11 s ASP 83 N 1.22 5.04 -0.14 3.53 2.15 -1.18 -0.82 116.67 126.47 2k11 s ASP 83 Ca 0.05 2.57 -0.05 0.00 0.43 0.00 0.00 52.55 55.55 2k11 s ASP 83 Cb -0.19 -2.62 0.07 0.00 -0.30 0.00 0.00 42.92 39.89 2k11 s ASP 83 CO -0.11 -1.71 0.27 0.00 -0.17 0.00 0.00 175.17 173.44 2k11 s ARG 85 N 2.42 0.55 -0.18 0.00 3.52 -1.16 0.50 118.95 124.60 2k11 s ARG 85 Ca 0.02 0.90 -0.37 0.00 -0.13 0.00 0.00 55.73 56.15 2k11 s ARG 85 Cb -0.13 0.12 -0.13 0.00 -1.56 0.00 0.00 34.95 33.25 2k11 s ARG 85 CO -0.09 -0.13 1.84 1.28 -0.81 0.00 0.00 175.30 177.39 2k11 n LEU 86 N 3.84 2.98 -4.68 -0.88 4.77 -0.58 0.23 117.00 122.68 2k11 n LEU 86 Ca -0.19 0.99 -0.33 0.00 -0.03 0.00 0.00 56.01 56.45 2k11 n LEU 86 Cb 0.57 -1.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 2k11 n LEU 86 CO 0.06 -0.22 -0.32 0.28 -1.33 0.00 0.00 177.39 175.85 2k11 s THR 87 N 4.01 4.20 -0.89 -5.08 -1.32 -0.94 -4.52 115.64 111.11 2k11 s THR 87 Ca 0.96 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.92 2k11 s THR 87 Cb -0.85 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 2k11 s THR 87 CO 0.58 0.45 0.53 -3.20 -2.21 0.00 0.00 174.62 170.77 2k11 n ASN 88 N 1.65 -4.49 -1.94 8.08 2.85 -1.26 -2.69 115.26 117.46 2k11 n ASN 88 Ca -0.16 -0.24 -0.08 0.00 -0.11 0.00 0.00 54.58 53.99 2k11 n ASN 88 Cb 0.53 -3.23 -0.02 0.00 1.24 0.00 0.00 39.78 38.31 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 -1.31 0.04 3.63 8.20 0.00 -1.26 -4.81 105.19 109.67 2k11 n GLY 89 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.51 2k11 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k11 n SER 90 N -0.94 2.32 -4.21 1.61 7.64 -1.09 -4.98 113.62 113.96 2k11 n SER 90 Ca -0.09 1.12 -0.12 0.00 1.01 0.00 0.00 58.87 60.79 2k11 n SER 90 Cb 0.44 -1.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.22 2k11 n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2k11 s ARG 91 N 0.27 0.97 0.26 1.43 6.06 -0.17 -4.79 118.95 122.99 2k11 s ARG 91 Ca 0.77 -1.43 -0.30 0.00 -2.50 0.00 0.00 55.73 52.27 2k11 s ARG 91 Cb -0.78 -0.29 -0.14 0.00 0.06 0.00 0.00 34.95 33.80 2k11 s ARG 91 CO 0.45 -0.04 1.21 0.98 -2.50 0.00 0.00 175.30 175.40 2k11 n TYR 92 N -0.14 1.71 0.25 5.12 4.19 -1.26 0.29 117.16 127.32 2k11 n TYR 92 Ca -0.10 0.59 0.14 0.00 3.31 0.00 0.00 57.90 61.84 2k11 n TYR 92 Cb 0.62 -2.35 0.61 0.00 0.49 0.00 0.00 39.34 38.71 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 3.04 0.00 -6.02 2.98 0.13 -2.01 -3.49 132.00 126.63 2k11 h PRO 93 Ca -0.43 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 32.43 2k11 h PRO 93 CO 0.67 0.12 1.39 0.09 -0.23 0.00 0.00 178.00 180.04 2k11 n ASN 94 N -3.30 2.56 -0.23 1.44 5.03 0.82 -4.79 115.26 116.79 2k11 n ASN 94 Ca -0.00 0.43 0.08 0.00 0.87 0.00 0.00 54.58 55.96 2k11 n ASN 94 Cb 0.35 -1.35 0.14 0.00 -1.02 0.00 0.00 39.78 37.90 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 -1.04 0.91 -2.24 0.00 0.00 -1.26 -4.57 120.51 112.31 2k11 n ALA 96 Ca 0.14 0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 2k11 n ALA 96 Cb 0.61 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 6.25 1.63 -0.42 0.00 2.02 -1.26 -2.21 117.35 123.35 2k11 s TYR 97 Ca 1.04 -0.77 -0.06 0.00 -0.37 0.00 0.00 57.07 56.91 2k11 s TYR 97 Cb -0.82 -2.05 0.10 0.00 -0.40 0.00 0.00 41.96 38.78 2k11 s TYR 97 CO 0.51 -0.72 0.25 0.50 -1.57 0.00 0.00 175.55 174.52 2k11 s ARG 98 N -4.42 2.34 -0.22 -0.62 3.00 0.62 -4.54 118.95 115.10 2k11 s ARG 98 Ca 0.46 -1.67 -0.18 0.00 -1.00 0.00 0.00 55.73 53.35 2k11 s ARG 98 Cb -0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 34.95 31.16 2k11 s ARG 98 CO 0.29 -1.05 0.49 0.99 0.00 0.00 0.00 175.30 176.02 2k11 s THR 99 N 1.29 5.11 -0.37 4.11 2.01 -1.25 -2.99 115.64 123.55 2k11 s THR 99 Ca 0.05 0.86 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2k11 s THR 99 Cb -0.24 -3.81 0.11 0.00 0.01 0.00 0.00 72.50 68.58 2k11 s THR 99 CO -0.01 0.16 0.14 -0.55 -0.69 0.00 0.00 174.62 173.67 2k11 s SER 100 N 1.29 4.13 -0.08 3.53 0.15 -1.15 -4.51 113.70 117.05 2k11 s SER 100 Ca 0.22 -2.18 -0.30 0.00 0.70 0.00 0.00 55.95 54.40 2k11 s SER 100 Cb -0.15 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2k11 s SER 100 CO 0.09 -0.35 1.52 -2.16 1.20 0.00 0.00 173.24 173.54 2k11 s PRO 101 N 0.90 4.20 0.21 5.44 0.04 -1.26 -3.07 135.00 141.46 2k11 s PRO 101 Ca 0.13 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 2k11 s PRO 101 Cb -0.21 -3.89 0.07 0.00 0.04 0.00 0.00 34.50 30.51 2k11 s PRO 101 CO -0.11 -0.79 1.00 0.21 0.04 0.00 0.00 177.00 177.35 2k11 s LYS 102 N 3.78 1.42 -0.24 4.56 2.20 -1.09 -5.02 119.74 125.35 2k11 s LYS 102 Ca 0.67 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 2k11 s LYS 102 Cb -0.30 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 2k11 s LYS 102 CO 0.25 -0.66 -0.08 -1.83 -0.36 0.00 0.00 175.35 172.66 2k11 s GLU 103 N -2.31 1.96 0.08 4.03 -1.05 -1.26 -0.63 118.70 119.52 2k11 s GLU 103 Ca 0.20 -1.16 -0.13 0.00 -0.15 0.00 0.00 54.97 53.73 2k11 s GLU 103 Cb -0.03 -2.73 0.02 0.00 -0.44 0.00 0.00 34.13 30.95 2k11 s GLU 103 CO 0.06 -0.57 0.30 1.03 0.95 0.00 0.00 175.26 177.02 2k11 s ARG 104 N 1.25 0.89 1.12 -4.83 0.52 0.43 -4.36 118.95 113.97 2k11 s ARG 104 Ca -0.07 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 2k11 s ARG 104 Cb -0.19 0.38 0.12 0.00 0.52 0.00 0.00 34.95 35.78 2k11 s ARG 104 CO -0.06 -0.31 0.12 0.72 0.02 0.00 0.00 175.30 175.80 2k11 n HIS 105 N 0.16 -1.41 -3.67 -0.53 8.25 -1.26 -1.89 115.22 114.87 2k11 n HIS 105 Ca -0.17 0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2k11 n HIS 105 Cb 0.62 -1.59 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 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 -2.26 0.00 -0.26 1.59 -4.36 -1.26 -1.76 121.20 112.89 2k11 s ILE 106 Ca 0.57 -0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 60.87 2k11 s ILE 106 Cb -0.14 -0.81 -0.00 0.00 1.25 0.00 0.00 42.46 42.76 2k11 s ILE 106 CO 0.66 -0.02 0.04 -0.63 0.24 0.00 0.00 174.94 175.24 2k11 s ILE 107 N 0.05 3.88 0.29 8.37 1.09 0.04 -2.40 121.20 132.53 2k11 s ILE 107 Ca -0.02 -0.52 0.05 0.00 -1.10 0.00 0.00 60.65 59.06 2k11 s ILE 107 Cb -0.04 -2.90 -0.06 0.00 -1.06 0.00 0.00 42.46 38.40 2k11 s ILE 107 CO 0.02 0.23 -0.01 0.68 -0.10 0.00 0.00 174.94 175.76 2k11 s VAL 108 N 1.52 1.42 -0.39 2.92 -7.23 -0.99 -1.65 120.40 115.99 2k11 s VAL 108 Ca 0.04 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2k11 s VAL 108 Cb -0.16 -2.58 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2k11 s VAL 108 CO 0.01 -0.19 0.18 0.00 -0.31 0.00 0.00 175.10 174.79 2k11 s ALA 109 N -3.15 3.11 0.16 1.32 0.00 0.61 -2.06 121.76 121.75 2k11 s ALA 109 Ca 0.32 -2.38 0.01 0.00 0.00 0.00 0.00 51.96 49.90 2k11 s ALA 109 Cb 0.06 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2k11 s ALA 109 CO 0.13 -1.71 0.32 0.00 0.00 0.00 0.00 175.76 174.50 2k11 s GLU 111 N -3.19 1.14 1.24 0.00 -6.30 0.35 -4.75 118.70 107.20 2k11 s GLU 111 Ca 0.36 -0.67 0.00 0.00 -2.50 0.00 0.00 54.97 52.16 2k11 s GLU 111 Cb -0.11 0.36 0.00 0.00 0.00 0.00 0.00 34.13 34.38 2k11 s GLU 111 CO 0.29 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2k11 n GLY 112 N -0.55 -0.60 3.15 -1.50 0.00 -1.26 -3.55 105.19 100.89 2k11 n GLY 112 Ca -0.05 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2k11 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k11 s SER 113 N -4.00 0.00 1.22 1.61 0.01 -1.26 -3.90 113.70 107.38 2k11 s SER 113 Ca 0.00 0.80 -0.20 0.00 1.31 0.00 0.00 55.95 57.86 2k11 s SER 113 Cb 0.00 1.10 0.30 0.00 0.21 0.00 0.00 66.02 67.63 2k11 s SER 113 CO 0.00 -0.24 1.11 -2.16 0.41 0.00 0.00 173.24 172.36 2k11 s PRO 114 N 2.54 -1.39 -0.60 12.44 0.04 -1.26 -5.03 135.00 141.74 2k11 s PRO 114 Ca 0.00 -0.13 -0.27 0.00 0.04 0.00 0.00 61.00 60.64 2k11 s PRO 114 Cb -0.12 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2k11 s PRO 114 CO -0.11 -3.81 1.56 0.71 0.04 0.00 0.00 177.00 175.39 2k11 s TYR 115 N -3.01 2.04 0.12 0.56 1.51 -1.25 -4.81 117.35 112.51 2k11 s TYR 115 Ca 0.71 0.49 0.06 0.00 -1.01 0.00 0.00 57.07 57.32 2k11 s TYR 115 Cb -0.09 -4.32 -0.04 0.00 -0.11 0.00 0.00 41.96 37.41 2k11 s TYR 115 CO 0.56 -2.17 -0.14 0.14 -1.11 0.00 0.00 175.55 172.83 2k11 s VAL 116 N 7.06 1.30 -0.12 0.71 -7.23 -1.23 -4.84 120.40 116.05 2k11 s VAL 116 Ca 0.56 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 2k11 s VAL 116 Cb -0.12 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2k11 s VAL 116 CO 0.22 -0.44 1.55 -2.16 -0.31 0.00 0.00 175.10 173.95 2k11 s PRO 117 N -2.74 4.10 0.00 4.82 0.04 -1.26 -0.50 135.00 139.46 2k11 s PRO 117 Ca 0.09 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2k11 s PRO 117 Cb -0.04 -3.94 0.09 0.00 0.04 0.00 0.00 34.50 30.65 2k11 s PRO 117 CO 0.03 -0.92 0.84 1.33 0.04 0.00 0.00 177.00 178.31 2k11 n VAL 118 N 5.67 0.11 -3.61 -0.36 0.24 -0.41 -4.79 118.33 115.18 2k11 n VAL 118 Ca 0.17 -0.55 -0.15 0.00 -2.04 0.00 0.00 64.34 61.76 2k11 n VAL 118 Cb 0.44 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.79 -0.65 -0.12 6.34 5.65 -0.96 -4.67 115.29 120.08 2k11 s HIS 119 Ca 0.12 1.39 -0.02 0.00 0.25 0.00 0.00 55.06 56.80 2k11 s HIS 119 Cb 0.08 0.29 -0.03 0.00 -1.18 0.00 0.00 32.58 31.74 2k11 s HIS 119 CO 0.12 -0.45 -0.06 0.12 -0.65 0.00 0.00 174.74 173.82 2k11 s PHE 120 N -0.37 2.97 0.00 3.88 2.19 -1.26 -0.29 117.98 125.10 2k11 s PHE 120 Ca -0.05 -0.22 0.00 0.00 0.33 0.00 0.00 56.93 56.99 2k11 s PHE 120 Cb -0.03 -1.85 0.00 0.00 -1.31 0.00 0.00 43.02 39.83 2k11 s PHE 120 CO 0.05 0.08 0.00 -3.47 1.83 0.00 0.00 175.22 173.71 2k11 n ASP 121 N 3.03 0.00 -3.62 6.13 -0.08 -0.66 -4.94 116.55 116.41 2k11 n ASP 121 Ca -0.18 0.04 -0.04 0.00 -1.51 0.00 0.00 54.79 53.10 2k11 n ASP 121 Cb 0.53 -0.37 -0.01 0.00 2.34 0.00 0.00 41.12 43.61 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 -3.50 -1.94 -0.04 -1.67 0.00 -1.11 -4.92 121.76 108.57 2k11 s ALA 122 Ca 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2k11 s ALA 122 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 2k11 s ALA 122 CO 0.00 -0.86 0.38 -1.54 0.00 0.00 0.00 175.76 173.75 2k11 s SER 123 N -2.67 6.73 1.01 0.00 1.04 -1.26 -0.78 113.70 117.77 2k11 s SER 123 Ca 0.10 0.87 -0.17 0.00 0.48 0.00 0.00 55.95 57.23 2k11 s SER 123 Cb 0.00 -2.23 0.22 0.00 0.10 0.00 0.00 66.02 64.11 2k11 s SER 123 CO -0.04 0.28 1.30 -0.69 0.98 0.00 0.00 173.24 175.08 2k11 s VAL 124 N -0.76 1.94 -0.03 5.02 1.01 -0.72 -4.94 120.40 121.92 2k11 s VAL 124 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2k11 s VAL 124 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2k11 s VAL 124 CO 0.11 0.00 -0.06 -0.62 0.00 0.00 0.00 175.10 174.53 2k11 n GLU 125 N -3.94 0.10 -3.98 2.72 4.71 -1.26 -4.48 120.64 114.51 2k11 n GLU 125 Ca 0.15 0.10 -0.12 0.00 -0.01 0.00 0.00 57.16 57.28 2k11 n GLU 125 Cb 0.59 -0.73 -0.02 0.00 -1.01 0.00 0.00 31.44 30.27 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2k11 s ASP 126 N -4.29 0.52 0.00 1.62 2.15 -1.26 -4.71 116.67 110.71 2k11 s ASP 126 Ca -0.05 -1.32 0.28 0.00 0.43 0.00 0.00 52.55 51.89 2k11 s ASP 126 Cb 0.01 0.73 1.03 0.00 -0.30 0.00 0.00 42.92 44.38 2k11 s ASP 126 CO 0.08 -1.43 1.73 -0.24 -0.17 0.00 0.00 175.17 175.14