#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 -4.69 -0.35 -1.58 2.13 -1.26 -4.96 120.64 109.93 2k11 n GLU 2 Ca 0.00 0.89 -0.27 0.00 0.66 0.00 0.00 57.16 58.44 2k11 n GLU 2 Cb 0.00 -5.74 0.25 0.00 0.27 0.00 0.00 31.44 26.22 2k11 n GLU 2 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k11 n SER 3 N -2.49 -3.55 0.02 4.31 2.88 -1.26 -4.86 113.62 108.66 2k11 n SER 3 Ca -0.11 -0.64 -0.07 0.00 -1.33 0.00 0.00 58.87 56.71 2k11 n SER 3 Cb 0.62 -0.96 0.10 0.00 -0.75 0.00 0.00 64.21 63.21 2k11 n SER 3 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2k11 h ARG 4 N -3.24 0.48 -0.50 -1.46 9.65 -1.99 -2.96 114.38 114.36 2k11 h ARG 4 Ca -0.38 -0.28 0.13 0.00 -1.10 0.00 0.00 59.98 58.35 2k11 h ARG 4 Cb 1.17 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.75 2k11 h ARG 4 CO 0.25 0.87 0.36 0.00 2.80 0.00 0.00 179.97 184.24 2k11 h ALA 5 N 1.08 2.36 0.10 2.80 0.00 -1.90 -2.72 119.26 120.97 2k11 h ALA 5 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k11 h ALA 5 Cb 1.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2k11 h ALA 5 CO 0.09 -0.50 -0.42 0.87 0.00 0.00 0.00 179.25 179.29 2k11 h LYS 6 N 0.09 -0.58 -0.98 0.00 6.56 -1.85 -0.83 116.57 118.97 2k11 h LYS 6 Ca 0.24 0.04 0.34 0.00 -1.06 0.00 0.00 60.65 60.21 2k11 h LYS 6 Cb 0.84 0.13 -0.17 0.00 -0.57 0.00 0.00 32.23 32.46 2k11 h LYS 6 CO -0.02 -0.38 0.39 -0.22 -2.06 0.00 0.00 179.45 177.16 2k11 h LYS 7 N -0.60 0.09 -0.13 3.15 3.64 -1.66 1.71 116.57 122.76 2k11 h LYS 7 Ca -0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2k11 h LYS 7 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2k11 h LYS 7 CO -0.23 0.06 -0.36 0.35 -2.27 0.00 0.00 179.45 177.00 2k11 h PHE 8 N 0.09 0.31 0.53 1.91 3.57 -1.33 -2.22 116.94 119.79 2k11 h PHE 8 Ca 0.73 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 62.13 2k11 h PHE 8 Cb 1.77 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 40.44 2k11 h PHE 8 CO -0.15 0.60 -0.25 0.37 -2.23 0.00 0.00 178.31 176.64 2k11 h GLN 9 N 0.23 -0.68 -0.06 1.11 5.75 0.39 -2.52 115.11 119.33 2k11 h GLN 9 Ca 0.03 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2k11 h GLN 9 Cb 0.75 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2k11 h GLN 9 CO 0.06 -0.38 0.00 0.54 -2.65 0.00 0.00 178.83 176.40 2k11 n ARG 10 N -5.31 0.88 -0.05 1.69 1.74 -0.74 -1.77 116.66 113.11 2k11 n ARG 10 Ca -0.11 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.92 2k11 n ARG 10 Cb 0.32 -1.03 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.47 0.31 -0.01 5.56 6.02 -0.84 -4.88 117.38 123.08 2k11 n GLN 11 Ca 0.00 0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 2k11 n GLN 11 Cb 0.01 -1.11 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 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 -3.68 0.00 -2.12 1.08 8.25 -0.98 -4.92 115.22 112.85 2k11 n HIS 12 Ca -0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.98 2k11 n HIS 12 Cb 0.28 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.06 2.92 -0.11 -0.41 -1.94 -0.73 0.04 119.30 117.01 2k11 s MET 13 Ca -0.01 0.71 0.15 0.00 -1.71 0.00 0.00 55.69 54.83 2k11 s MET 13 Cb 0.01 -4.29 0.29 0.00 2.01 0.00 0.00 34.83 32.85 2k11 s MET 13 CO 0.09 -2.38 1.18 -0.40 -0.01 0.00 0.00 175.02 173.50 2k11 n ASP 14 N 11.52 2.60 -0.29 3.03 5.68 -0.21 -4.33 116.55 134.55 2k11 n ASP 14 Ca 0.19 -2.86 0.25 0.00 -0.50 0.00 0.00 54.79 51.86 2k11 n ASP 14 Cb 0.50 -0.37 0.41 0.00 -1.14 0.00 0.00 41.12 40.52 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k11 n SER 15 N -1.04 0.13 -0.36 -1.12 3.41 -0.04 0.54 113.62 115.14 2k11 n SER 15 Ca 0.14 0.85 0.06 0.00 -0.26 0.00 0.00 58.87 59.66 2k11 n SER 15 Cb 0.61 -0.42 0.13 0.00 -0.26 0.00 0.00 64.21 64.28 2k11 n SER 15 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k11 n ASP 16 N -3.91 -0.37 -4.38 4.04 9.92 -1.26 -4.47 116.55 116.11 2k11 n ASP 16 Ca 0.25 1.72 -0.27 0.00 -0.53 0.00 0.00 54.79 55.96 2k11 n ASP 16 Cb 0.96 -0.51 0.15 0.00 -0.64 0.00 0.00 41.12 41.07 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2k11 s SER 17 N -5.26 3.68 0.11 -2.24 0.01 0.19 -5.10 113.70 105.08 2k11 s SER 17 Ca -0.15 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.13 2k11 s SER 17 Cb 0.27 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2k11 s SER 17 CO 0.78 -2.33 -0.13 -0.55 0.41 0.00 0.00 173.24 171.41 2k11 s SER 18 N -4.83 4.22 1.11 2.44 0.15 -1.26 -4.89 113.70 110.65 2k11 s SER 18 Ca 0.71 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.81 2k11 s SER 18 Cb -0.04 -0.73 0.14 0.00 -1.71 0.00 0.00 66.02 63.67 2k11 s SER 18 CO 0.49 0.17 0.49 -0.81 1.20 0.00 0.00 173.24 174.78 2k11 n PRO 19 N 0.71 -1.99 -3.10 5.44 -0.04 -1.26 -4.54 135.00 130.22 2k11 n PRO 19 Ca -0.14 -0.78 -0.14 0.00 -0.04 0.00 0.00 63.50 62.40 2k11 n PRO 19 Cb 0.52 -0.74 0.06 0.00 -0.04 0.00 0.00 33.50 33.31 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 -3.84 -2.70 0.00 3.54 2.88 -1.26 -4.99 113.62 107.25 2k11 n SER 20 Ca 0.07 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2k11 n SER 20 Cb 0.26 -3.88 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 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 -2.40 0.00 -1.87 -3.46 7.64 -1.26 -4.96 113.62 107.30 2k11 n SER 21 Ca -0.17 0.44 -0.15 0.00 1.01 0.00 0.00 58.87 60.00 2k11 n SER 21 Cb 0.61 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 2k11 n SER 21 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k11 n SER 22 N -1.75 -4.58 -2.82 6.43 7.64 -1.26 -4.99 113.62 112.29 2k11 n SER 22 Ca 0.00 -0.09 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 2k11 n SER 22 Cb 0.00 -3.62 -0.04 0.00 -1.01 0.00 0.00 64.21 59.53 2k11 n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k11 n SER 23 N -0.97 -0.98 0.00 6.43 3.41 -1.26 -4.99 113.62 115.26 2k11 n SER 23 Ca -0.14 -2.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 2k11 n SER 23 Cb 0.61 1.94 0.00 0.00 -0.26 0.00 0.00 64.21 66.50 2k11 n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k11 n THR 24 N -0.52 0.00 -0.24 6.66 -2.24 -1.26 -3.77 114.28 112.91 2k11 n THR 24 Ca 0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.78 2k11 n THR 24 Cb 0.52 -0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.88 -0.09 0.09 4.78 9.36 -1.26 0.44 117.16 129.60 2k11 n TYR 25 Ca 0.00 0.75 -0.13 0.00 3.32 0.00 0.00 57.90 61.84 2k11 n TYR 25 Cb 0.00 -0.66 -0.08 0.00 -0.63 0.00 0.00 39.34 37.97 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 -5.06 -0.02 -0.08 0.00 2.85 0.17 -1.36 115.26 111.76 2k11 n ASN 27 Ca -0.09 1.47 -0.09 0.00 -0.11 0.00 0.00 54.58 55.77 2k11 n ASN 27 Cb 0.21 -0.57 -0.04 0.00 1.24 0.00 0.00 39.78 40.62 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 -5.21 0.48 -0.11 1.20 6.02 -0.48 -4.07 117.38 115.21 2k11 n GLN 28 Ca 0.23 0.54 -0.03 0.00 -0.01 0.00 0.00 57.00 57.73 2k11 n GLN 28 Cb 0.76 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 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 -4.57 -0.12 -0.33 -1.09 2.81 0.18 0.24 117.12 114.24 2k11 n MET 29 Ca -0.13 0.75 0.18 0.00 -1.81 0.00 0.00 57.70 56.68 2k11 n MET 29 Cb 0.37 -1.11 0.39 0.00 -0.71 0.00 0.00 33.22 32.16 2k11 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k11 h MET 30 N 0.00 0.42 0.52 0.03 2.86 -1.43 -1.90 114.93 115.42 2k11 h MET 30 Ca 0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2k11 h MET 30 Cb 0.11 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2k11 h MET 30 CO -0.25 0.28 -0.25 -0.09 1.06 0.00 0.00 176.91 177.65 2k11 h ARG 31 N 0.43 -0.67 -0.56 1.72 1.12 0.30 -3.06 114.38 113.66 2k11 h ARG 31 Ca 0.64 0.05 0.16 0.00 -1.11 0.00 0.00 59.98 59.72 2k11 h ARG 31 Cb 1.31 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.40 2k11 h ARG 31 CO -0.54 -0.45 1.01 -0.09 -3.11 0.00 0.00 179.97 176.79 2k11 h ARG 32 N -1.17 0.00 -0.67 0.20 9.65 0.60 1.67 114.38 124.67 2k11 h ARG 32 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2k11 h ARG 32 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2k11 h ARG 32 CO 0.12 0.00 0.00 0.54 2.80 0.00 0.00 179.97 183.43 2k11 n ARG 33 N -3.02 1.13 -3.77 0.20 5.12 -0.79 -4.84 116.66 110.69 2k11 n ARG 33 Ca 0.12 -0.12 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 2k11 n ARG 33 Cb 1.18 -1.36 0.05 0.00 -1.16 0.00 0.00 32.46 31.17 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 -0.12 -4.73 -0.11 0.55 3.02 0.57 -4.87 115.26 109.58 2k11 n ASN 34 Ca 0.01 -0.71 0.03 0.00 -0.03 0.00 0.00 54.58 53.88 2k11 n ASN 34 Cb 0.20 -4.30 -0.00 0.00 -0.61 0.00 0.00 39.78 35.06 2k11 n ASN 34 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2k11 n MET 35 N -4.71 2.57 -0.13 3.52 1.56 -1.13 -4.55 117.12 114.24 2k11 n MET 35 Ca -0.02 -0.42 0.08 0.00 -0.27 0.00 0.00 57.70 57.07 2k11 n MET 35 Cb 0.56 -0.92 0.14 0.00 2.15 0.00 0.00 33.22 35.15 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 -0.40 1.79 -0.04 1.12 -2.24 -1.26 -4.45 114.28 108.80 2k11 n THR 36 Ca 0.02 -1.95 -0.15 0.00 -2.27 0.00 0.00 64.05 59.71 2k11 n THR 36 Cb 0.11 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2k11 n THR 36 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k11 h GLN 37 N 0.41 0.77 0.00 -0.78 4.20 -1.88 -3.39 115.11 114.45 2k11 h GLN 37 Ca 0.00 -0.55 -0.44 0.00 0.06 0.00 0.00 58.65 57.72 2k11 h GLN 37 Cb 0.99 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 2k11 h GLN 37 CO 0.04 1.17 -2.47 0.41 -0.67 0.00 0.00 178.83 177.31 2k11 n GLY 38 N 0.49 -0.42 3.06 3.46 0.00 -1.26 -5.05 105.19 105.47 2k11 n GLY 38 Ca -0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.48 0.54 -0.31 1.61 1.70 -1.26 -5.11 118.95 113.63 2k11 s ARG 39 Ca -0.37 -0.99 -0.23 0.00 -0.47 0.00 0.00 55.73 53.67 2k11 s ARG 39 Cb 0.14 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2k11 s ARG 39 CO 0.47 -0.06 0.78 0.00 -1.08 0.00 0.00 175.30 175.42 2k11 n LYS 41 N 6.23 1.69 -0.05 0.00 3.00 -1.26 -4.84 118.16 122.92 2k11 n LYS 41 Ca 0.04 0.61 -0.13 0.00 -0.00 0.00 0.00 58.31 58.82 2k11 n LYS 41 Cb 0.48 -2.27 -0.07 0.00 0.00 0.00 0.00 35.03 33.17 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 4.78 0.36 -2.93 1.64 0.13 -1.96 -3.42 132.00 130.60 2k11 h PRO 42 Ca -0.45 -0.19 -0.02 0.00 -0.87 0.00 0.00 66.00 64.46 2k11 h PRO 42 Cb 1.30 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2k11 h PRO 42 CO 0.80 0.74 0.20 0.08 -0.23 0.00 0.00 178.00 179.59 2k11 s VAL 43 N -4.31 0.00 0.17 1.56 1.01 -1.26 -1.62 120.40 115.95 2k11 s VAL 43 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 2k11 s VAL 43 Cb 0.05 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.51 2k11 s VAL 43 CO 0.75 -0.01 1.05 0.21 0.00 0.00 0.00 175.10 177.10 2k11 s ASN 44 N -2.62 -0.01 -0.21 3.32 2.47 0.26 -4.98 114.94 113.16 2k11 s ASN 44 Ca 0.00 -0.63 -0.04 0.00 0.42 0.00 0.00 52.86 52.62 2k11 s ASN 44 Cb -0.01 0.48 0.11 0.00 -1.45 0.00 0.00 41.25 40.38 2k11 s ASN 44 CO -0.11 -0.95 0.30 -0.89 -3.72 0.00 0.00 177.10 171.73 2k11 s THR 45 N -2.27 -0.46 1.10 -5.21 2.01 -1.26 -1.49 115.64 108.06 2k11 s THR 45 Ca 0.21 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 2k11 s THR 45 Cb -0.02 -0.71 0.26 0.00 0.01 0.00 0.00 72.50 72.04 2k11 s THR 45 CO 0.05 -0.13 1.26 0.49 -0.69 0.00 0.00 174.62 175.59 2k11 n PHE 46 N 5.34 -3.97 -3.80 4.92 3.01 -0.33 -4.70 117.46 117.94 2k11 n PHE 46 Ca -0.05 -1.12 -0.13 0.00 1.01 0.00 0.00 57.45 57.17 2k11 n PHE 46 Cb 0.50 -1.09 -0.12 0.00 -0.01 0.00 0.00 39.48 38.75 2k11 n PHE 46 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k11 s VAL 47 N -3.58 -0.00 -0.24 -4.37 1.01 0.11 -2.59 120.40 110.74 2k11 s VAL 47 Ca 0.75 0.01 0.15 0.00 0.00 0.00 0.00 61.98 62.90 2k11 s VAL 47 Cb -0.04 -0.29 0.39 0.00 0.00 0.00 0.00 36.38 36.44 2k11 s VAL 47 CO 0.54 0.01 1.28 1.41 0.00 0.00 0.00 175.10 178.34 2k11 n HIS 48 N 3.09 0.52 -4.21 5.22 8.25 0.47 -0.86 115.22 127.69 2k11 n HIS 48 Ca -0.14 -0.84 -0.30 0.00 -0.26 0.00 0.00 57.72 56.18 2k11 n HIS 48 Cb 0.58 -0.21 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 2k11 n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k11 s GLU 49 N -2.48 2.33 0.44 -0.41 -6.30 -1.23 -4.71 118.70 106.34 2k11 s GLU 49 Ca 0.33 -0.93 -0.24 0.00 -2.50 0.00 0.00 54.97 51.64 2k11 s GLU 49 Cb 0.27 -2.41 -0.08 0.00 0.00 0.00 0.00 34.13 31.91 2k11 s GLU 49 CO 0.07 0.53 1.17 -1.25 0.02 0.00 0.00 175.26 175.80 2k11 s PRO 50 N -2.19 3.83 0.04 4.30 0.04 -1.26 -4.49 135.00 135.27 2k11 s PRO 50 Ca 0.23 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 2k11 s PRO 50 Cb -0.11 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 2k11 s PRO 50 CO 0.15 -0.50 1.16 1.25 0.04 0.00 0.00 177.00 179.10 2k11 h LEU 51 N 2.20 -0.57 -0.60 -3.56 5.85 -2.00 0.58 115.31 117.20 2k11 h LEU 51 Ca -0.49 0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.52 2k11 h LEU 51 Cb 1.24 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 42.40 2k11 h LEU 51 CO 0.61 -0.10 0.18 0.55 -0.34 0.00 0.00 178.44 179.34 2k11 n VAL 52 N -3.53 -0.25 0.02 1.05 3.14 -1.26 -0.20 118.33 117.30 2k11 n VAL 52 Ca -0.01 1.27 -0.02 0.00 -2.96 0.00 0.00 64.34 62.62 2k11 n VAL 52 Cb 0.09 -1.96 -0.01 0.00 -1.06 0.00 0.00 33.84 30.90 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 -0.18 -0.82 6.55 1.82 -1.25 -0.95 116.42 121.59 2k11 h ASP 53 Ca 0.45 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 57.16 2k11 h ASP 53 Cb 1.08 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 41.11 2k11 h ASP 53 CO -0.51 -0.07 0.54 0.58 -1.61 0.00 0.00 179.24 178.17 2k11 h VAL 54 N -0.10 1.08 -0.91 2.25 2.07 -0.56 -1.90 116.25 118.17 2k11 h VAL 54 Ca -0.00 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.34 2k11 h VAL 54 Cb 0.09 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 29.83 2k11 h VAL 54 CO -0.03 0.17 0.52 1.56 0.02 0.00 0.00 177.57 179.82 2k11 h GLN 55 N 0.94 0.74 -0.35 1.57 4.20 -0.60 0.12 115.11 121.73 2k11 h GLN 55 Ca 0.34 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.03 2k11 h GLN 55 Cb 0.15 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2k11 h GLN 55 CO -0.11 0.49 0.23 -0.91 -0.67 0.00 0.00 178.83 177.85 2k11 h ASN 56 N 0.76 0.32 -0.84 1.46 2.35 -0.33 -2.00 115.58 117.31 2k11 h ASN 56 Ca 0.49 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 56.30 2k11 h ASN 56 Cb 0.63 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 2k11 h ASN 56 CO -0.33 0.22 0.52 0.58 -1.65 0.00 0.00 177.43 176.77 2k11 h VAL 57 N 0.37 1.03 0.00 2.81 2.07 -0.79 0.86 116.25 122.60 2k11 h VAL 57 Ca 0.14 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2k11 h VAL 57 Cb 0.09 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2k11 h VAL 57 CO -0.03 0.17 0.09 0.00 0.02 0.00 0.00 177.57 177.82 2k11 n PHE 59 N -3.00 0.00 -0.01 0.00 3.72 0.10 -4.73 117.46 113.53 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 0.15 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.03 0.06 -4.71 -1.08 6.02 0.54 -5.07 117.38 113.17 2k11 n GLN 60 Ca 0.05 0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.88 2k11 n GLN 60 Cb 0.26 -0.74 -0.08 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.20 2.13 0.15 -1.09 2.12 -0.68 -5.08 118.70 115.04 2k11 s GLU 61 Ca -0.03 -2.34 -0.05 0.00 0.36 0.00 0.00 54.97 52.91 2k11 s GLU 61 Cb 0.00 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 32.99 2k11 s GLU 61 CO 0.04 -0.36 0.18 0.15 -0.54 0.00 0.00 175.26 174.73 2k11 s LYS 62 N -3.84 1.05 0.33 4.30 1.02 -1.26 -4.53 119.74 116.81 2k11 s LYS 62 Ca 0.11 -1.29 -0.16 0.00 0.02 0.00 0.00 55.97 54.65 2k11 s LYS 62 Cb 0.02 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.68 2k11 s LYS 62 CO 0.06 -0.35 0.70 0.14 -0.92 0.00 0.00 175.35 174.98 2k11 s VAL 63 N -4.00 0.00 0.72 3.17 -7.23 0.39 -4.67 120.40 108.78 2k11 s VAL 63 Ca 0.20 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 2k11 s VAL 63 Cb 0.05 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2k11 s VAL 63 CO 0.01 0.00 1.08 -0.89 -0.31 0.00 0.00 175.10 174.99 2k11 s THR 64 N -3.09 3.63 0.28 5.32 2.01 -1.26 -3.48 115.64 119.06 2k11 s THR 64 Ca 0.16 0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.79 2k11 s THR 64 Cb -0.04 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2k11 s THR 64 CO 0.11 -0.69 -0.14 0.00 -0.69 0.00 0.00 174.62 173.21 2k11 h LYS 66 N 2.26 0.00 -0.24 0.00 1.57 -1.99 1.11 116.57 119.29 2k11 h LYS 66 Ca -0.40 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 2k11 h LYS 66 Cb 1.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2k11 h LYS 66 CO 0.64 0.00 -0.48 -2.95 -0.57 0.00 0.00 179.45 176.09 2k11 h ASN 67 N 0.00 0.71 0.00 0.86 -1.07 -2.04 -3.47 115.58 110.57 2k11 h ASN 67 Ca 0.62 -0.35 0.00 0.00 0.07 0.00 0.00 56.30 56.64 2k11 h ASN 67 Cb 1.32 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 2k11 h ASN 67 CO -0.92 1.07 0.00 0.61 0.07 0.00 0.00 177.43 178.26 2k11 n GLY 68 N 0.17 1.85 3.71 9.14 0.00 0.38 -5.15 105.19 115.29 2k11 n GLY 68 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.19 -0.22 1.61 -1.52 -1.25 -4.69 119.66 115.77 2k11 s GLN 69 Ca 0.00 -1.83 -0.01 0.00 -1.95 0.00 0.00 55.36 51.57 2k11 s GLN 69 Cb 0.00 -1.96 0.16 0.00 -0.22 0.00 0.00 33.01 30.99 2k11 s GLN 69 CO 0.00 -0.06 1.96 0.41 -0.25 0.00 0.00 175.29 177.35 2k11 n GLY 70 N -1.17 3.59 0.03 3.09 0.00 -1.26 0.33 105.19 109.80 2k11 n GLY 70 Ca -0.02 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.38 2k11 n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k11 n ASN 71 N 0.61 0.32 -4.86 1.61 5.15 -1.26 -4.70 115.26 112.13 2k11 n ASN 71 Ca 0.21 -0.04 -0.23 0.00 -0.60 0.00 0.00 54.58 53.93 2k11 n ASN 71 Cb 0.58 -0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 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 -1.99 -0.52 0.00 0.00 1.51 -0.70 -0.46 117.35 115.20 2k11 s TYR 73 Ca 0.33 1.19 0.02 0.00 -1.01 0.00 0.00 57.07 57.60 2k11 s TYR 73 Cb -0.09 0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 41.93 2k11 s TYR 73 CO 0.26 -0.32 -0.01 -1.59 -1.11 0.00 0.00 175.55 172.78 2k11 s LYS 74 N -0.11 2.75 0.97 -0.62 -2.85 -1.26 -1.13 119.74 117.49 2k11 s LYS 74 Ca -0.03 -0.63 -0.13 0.00 -1.00 0.00 0.00 55.97 54.17 2k11 s LYS 74 Cb -0.03 -2.65 0.04 0.00 -2.06 0.00 0.00 37.83 33.13 2k11 s LYS 74 CO 0.02 0.62 0.33 -1.13 0.10 0.00 0.00 175.35 175.29 2k11 n SER 75 N 1.36 -2.22 0.01 0.03 3.41 -0.76 -4.57 113.62 110.89 2k11 n SER 75 Ca -0.14 0.27 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 2k11 n SER 75 Cb 0.53 -1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 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 -1.61 -0.07 0.00 4.04 -0.73 -1.93 -3.45 115.58 111.84 2k11 h ASN 76 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.73 2k11 h ASN 76 Cb 1.29 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.90 2k11 h ASN 76 CO 0.34 0.12 -0.03 -1.54 -0.37 0.00 0.00 177.43 175.96 2k11 n SER 77 N -3.16 0.07 -3.37 1.15 3.41 -1.26 -5.03 113.62 105.43 2k11 n SER 77 Ca -0.01 0.10 -0.04 0.00 -0.26 0.00 0.00 58.87 58.66 2k11 n SER 77 Cb 0.03 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.48 2k11 n SER 77 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2k11 s SER 78 N -3.90 -0.02 -0.27 4.04 1.04 -1.26 -4.23 113.70 109.10 2k11 s SER 78 Ca -0.01 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2k11 s SER 78 Cb 0.00 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.76 2k11 s SER 78 CO 0.01 -1.05 0.60 -0.32 0.98 0.00 0.00 173.24 173.46 2k11 s MET 79 N -2.33 0.56 0.13 4.02 1.75 -0.03 -4.82 119.30 118.58 2k11 s MET 79 Ca 0.20 1.26 -0.34 0.00 -1.25 0.00 0.00 55.69 55.56 2k11 s MET 79 Cb -0.03 0.48 -0.13 0.00 2.84 0.00 0.00 34.83 37.99 2k11 s MET 79 CO 0.05 -0.19 1.63 0.72 -0.65 0.00 0.00 175.02 176.59 2k11 n HIS 80 N 4.98 2.33 -4.12 4.11 8.25 -1.26 -2.48 115.22 127.02 2k11 n HIS 80 Ca -0.15 0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2k11 n HIS 80 Cb 0.53 -2.57 -0.06 0.00 1.12 0.00 0.00 29.99 29.00 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 1.37 0.00 -0.27 1.59 -0.00 -0.82 -0.40 121.20 122.67 2k11 s ILE 81 Ca 0.80 -1.71 -0.02 0.00 -0.00 0.00 0.00 60.65 59.73 2k11 s ILE 81 Cb -0.66 -2.49 0.09 0.00 -0.00 0.00 0.00 42.46 39.40 2k11 s ILE 81 CO 0.39 0.00 0.08 -0.89 -0.00 0.00 0.00 174.94 174.52 2k11 s THR 82 N -3.60 0.62 0.17 8.37 2.01 -1.07 -3.02 115.64 119.12 2k11 s THR 82 Ca 0.32 -1.06 -0.32 0.00 0.31 0.00 0.00 61.69 60.95 2k11 s THR 82 Cb 0.02 -1.38 -0.11 0.00 0.01 0.00 0.00 72.50 71.04 2k11 s THR 82 CO 0.17 -0.55 1.77 -0.62 -0.69 0.00 0.00 174.62 174.69 2k11 s ASP 83 N 1.76 6.40 -0.29 3.53 2.15 -0.65 -1.19 116.67 128.39 2k11 s ASP 83 Ca 0.07 2.81 -0.01 0.00 0.43 0.00 0.00 52.55 55.85 2k11 s ASP 83 Cb -0.17 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.96 2k11 s ASP 83 CO -0.22 -0.99 0.08 0.00 -0.17 0.00 0.00 175.17 173.87 2k11 s ARG 85 N 1.59 1.40 1.04 0.00 3.52 -1.13 0.91 118.95 126.28 2k11 s ARG 85 Ca 0.07 -0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 55.02 2k11 s ARG 85 Cb -0.17 -1.26 0.07 0.00 -1.56 0.00 0.00 34.95 32.02 2k11 s ARG 85 CO -0.21 0.21 0.18 1.28 -0.81 0.00 0.00 175.30 175.96 2k11 n LEU 86 N 3.12 -1.37 -4.29 -0.88 4.77 -0.64 0.25 117.00 117.96 2k11 n LEU 86 Ca -0.17 0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 2k11 n LEU 86 Cb 0.54 -1.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 2k11 n LEU 86 CO 0.25 -3.39 -0.13 0.42 -1.33 0.00 0.00 177.39 173.20 2k11 s THR 87 N -2.31 0.05 0.41 -5.08 -4.23 -0.87 -4.55 115.64 99.05 2k11 s THR 87 Ca 0.56 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 2k11 s THR 87 Cb -0.16 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 2k11 s THR 87 CO 0.67 0.00 1.39 -3.20 -0.54 0.00 0.00 174.62 172.94 2k11 n ASN 88 N -1.37 3.17 -2.21 3.99 2.85 -1.26 -1.75 115.26 118.69 2k11 n ASN 88 Ca 0.06 1.16 -0.13 0.00 -0.11 0.00 0.00 54.58 55.56 2k11 n ASN 88 Cb 0.63 -1.56 -0.02 0.00 1.24 0.00 0.00 39.78 40.07 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 0.63 -0.12 0.23 8.20 0.00 -1.26 -4.79 105.19 108.07 2k11 n GLY 89 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2k11 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k11 n SER 90 N -1.54 2.59 -4.90 1.61 7.64 -0.72 -4.88 113.62 113.43 2k11 n SER 90 Ca -0.15 -2.86 -0.29 0.00 1.01 0.00 0.00 58.87 56.58 2k11 n SER 90 Cb 0.58 -0.37 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2k11 n SER 90 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k11 s ARG 91 N -2.49 2.17 0.28 1.43 1.81 -0.96 -2.33 118.95 118.86 2k11 s ARG 91 Ca 0.28 0.19 -0.29 0.00 -1.72 0.00 0.00 55.73 54.19 2k11 s ARG 91 Cb 0.24 -1.97 -0.14 0.00 -0.45 0.00 0.00 34.95 32.64 2k11 s ARG 91 CO 0.04 -1.47 1.16 0.98 -0.68 0.00 0.00 175.30 175.33 2k11 n TYR 92 N -3.25 1.68 0.28 -0.53 4.19 -1.26 0.27 117.16 118.54 2k11 n TYR 92 Ca 0.08 0.62 0.18 0.00 3.31 0.00 0.00 57.90 62.08 2k11 n TYR 92 Cb 0.60 -2.33 0.71 0.00 0.49 0.00 0.00 39.34 38.82 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 2.61 0.00 -6.61 2.98 0.13 -1.99 -3.50 132.00 125.62 2k11 h PRO 93 Ca -0.42 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 2k11 h PRO 93 Cb 1.32 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.51 2k11 h PRO 93 CO 0.64 0.00 0.94 0.09 -0.23 0.00 0.00 178.00 179.45 2k11 n ASN 94 N -3.07 3.72 -0.06 1.44 3.02 0.75 -4.89 115.26 116.17 2k11 n ASN 94 Ca 0.00 1.07 0.08 0.00 -0.03 0.00 0.00 54.58 55.70 2k11 n ASN 94 Cb 0.29 -1.53 0.11 0.00 -0.61 0.00 0.00 39.78 38.04 2k11 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k11 n ALA 96 N -1.24 0.55 -2.03 0.00 0.00 -1.14 -4.48 120.51 112.17 2k11 n ALA 96 Ca 0.13 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.94 2k11 n ALA 96 Cb 0.57 -2.59 0.07 0.00 0.00 0.00 0.00 19.45 17.49 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 9.61 1.50 -0.41 0.00 2.02 -1.26 -2.06 117.35 126.75 2k11 s TYR 97 Ca 1.20 -0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 57.20 2k11 s TYR 97 Cb -0.88 -2.36 0.09 0.00 -0.40 0.00 0.00 41.96 38.41 2k11 s TYR 97 CO 0.43 -1.23 0.23 1.03 -1.57 0.00 0.00 175.55 174.45 2k11 s ARG 98 N -4.74 2.38 -0.67 -0.62 0.52 0.71 -4.55 118.95 111.99 2k11 s ARG 98 Ca 0.62 -1.60 -0.26 0.00 -0.52 0.00 0.00 55.73 53.97 2k11 s ARG 98 Cb -0.06 -3.69 0.04 0.00 0.52 0.00 0.00 34.95 31.76 2k11 s ARG 98 CO 0.40 -1.00 1.15 0.99 0.02 0.00 0.00 175.30 176.86 2k11 s THR 99 N 1.31 3.99 -0.46 0.02 2.01 -1.23 -2.82 115.64 118.47 2k11 s THR 99 Ca 0.04 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 2k11 s THR 99 Cb -0.23 -4.78 0.12 0.00 0.01 0.00 0.00 72.50 67.61 2k11 s THR 99 CO -0.01 -1.57 0.31 -0.55 -0.69 0.00 0.00 174.62 172.11 2k11 s SER 100 N 3.44 5.59 -0.17 3.53 0.15 0.52 -4.10 113.70 122.67 2k11 s SER 100 Ca 0.33 -1.94 -0.29 0.00 0.70 0.00 0.00 55.95 54.75 2k11 s SER 100 Cb -0.10 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2k11 s SER 100 CO 0.17 -0.66 1.58 -2.16 1.20 0.00 0.00 173.24 173.37 2k11 s PRO 101 N 1.31 3.95 -0.08 5.44 0.04 -1.26 -1.63 135.00 142.77 2k11 s PRO 101 Ca 0.06 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 2k11 s PRO 101 Cb -0.25 -3.99 0.11 0.00 0.04 0.00 0.00 34.50 30.41 2k11 s PRO 101 CO -0.02 -1.10 0.94 0.15 0.04 0.00 0.00 177.00 177.02 2k11 s LYS 102 N 4.35 0.71 -0.10 4.56 3.01 -1.17 -4.89 119.74 126.21 2k11 s LYS 102 Ca 0.70 -0.10 0.04 0.00 -1.01 0.00 0.00 55.97 55.59 2k11 s LYS 102 Cb -0.27 0.33 0.00 0.00 -1.01 0.00 0.00 37.83 36.89 2k11 s LYS 102 CO 0.27 -0.28 -0.22 -1.83 0.51 0.00 0.00 175.35 173.80 2k11 s GLU 103 N -2.25 2.87 0.29 1.68 -1.05 -1.26 -1.95 118.70 117.03 2k11 s GLU 103 Ca 0.02 -0.82 -0.19 0.00 -0.15 0.00 0.00 54.97 53.84 2k11 s GLU 103 Cb -0.01 -2.20 0.06 0.00 -0.44 0.00 0.00 34.13 31.55 2k11 s GLU 103 CO -0.04 0.14 0.90 0.50 0.95 0.00 0.00 175.26 177.71 2k11 s ARG 104 N 0.44 1.78 0.98 -4.83 6.06 -1.04 -4.77 118.95 117.58 2k11 s ARG 104 Ca -0.17 -1.13 -0.13 0.00 -2.50 0.00 0.00 55.73 51.80 2k11 s ARG 104 Cb -0.17 0.51 0.09 0.00 0.06 0.00 0.00 34.95 35.43 2k11 s ARG 104 CO 0.07 -0.83 0.57 0.72 -2.50 0.00 0.00 175.30 173.33 2k11 n HIS 105 N -0.60 -0.88 -3.67 5.12 8.25 -1.25 -0.85 115.22 121.34 2k11 n HIS 105 Ca -0.06 0.24 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 2k11 n HIS 105 Cb 0.60 -1.80 -0.09 0.00 1.12 0.00 0.00 29.99 29.81 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 -2.44 -0.40 -0.27 1.59 -4.36 -1.26 -1.51 121.20 112.56 2k11 s ILE 106 Ca 0.60 0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.97 2k11 s ILE 106 Cb -0.21 -0.72 -0.05 0.00 1.25 0.00 0.00 42.46 42.74 2k11 s ILE 106 CO 0.65 0.04 0.25 -0.63 0.24 0.00 0.00 174.94 175.50 2k11 s ILE 107 N 2.12 5.27 0.20 8.37 1.01 -0.72 -1.82 121.20 135.62 2k11 s ILE 107 Ca -0.06 0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.98 2k11 s ILE 107 Cb -0.10 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2k11 s ILE 107 CO -0.14 0.23 -0.12 0.68 0.00 0.00 0.00 174.94 175.59 2k11 s VAL 108 N 1.75 1.56 -0.44 2.92 -7.23 -0.28 -0.77 120.40 117.91 2k11 s VAL 108 Ca 0.10 -2.16 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 2k11 s VAL 108 Cb -0.16 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.83 2k11 s VAL 108 CO 0.10 -0.59 0.30 0.00 -0.31 0.00 0.00 175.10 174.60 2k11 s ALA 109 N -3.08 3.33 0.14 1.32 0.00 0.96 -1.72 121.76 122.70 2k11 s ALA 109 Ca 0.22 -2.38 -0.05 0.00 0.00 0.00 0.00 51.96 49.75 2k11 s ALA 109 Cb 0.01 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 2k11 s ALA 109 CO 0.06 -1.79 0.37 0.00 0.00 0.00 0.00 175.76 174.40 2k11 s GLU 111 N -2.61 0.84 0.00 0.00 2.56 -0.36 -4.86 118.70 114.27 2k11 s GLU 111 Ca 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.04 2k11 s GLU 111 Cb -0.12 0.37 0.00 0.00 2.00 0.00 0.00 34.13 36.38 2k11 s GLU 111 CO 0.24 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 2k11 n GLY 112 N -0.27 -0.80 3.08 -1.50 0.00 -1.26 -4.12 105.19 100.32 2k11 n GLY 112 Ca -0.08 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 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 0.14 1.23 1.61 0.15 -1.26 -3.92 113.70 107.65 2k11 s SER 113 Ca 0.00 0.70 -0.19 0.00 0.70 0.00 0.00 55.95 57.16 2k11 s SER 113 Cb 0.00 0.85 0.28 0.00 -1.71 0.00 0.00 66.02 65.44 2k11 s SER 113 CO 0.00 -0.23 1.00 -0.81 1.20 0.00 0.00 173.24 174.40 2k11 n PRO 114 N 5.26 -2.97 -2.37 5.44 -0.04 -1.26 -5.03 135.00 134.02 2k11 n PRO 114 Ca -0.08 -1.60 -0.41 0.00 -0.04 0.00 0.00 63.50 61.37 2k11 n PRO 114 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.81 2.14 0.10 0.54 5.04 -1.25 -4.83 117.35 116.28 2k11 s TYR 115 Ca 0.65 0.34 0.04 0.00 -2.44 0.00 0.00 57.07 55.66 2k11 s TYR 115 Cb -0.06 -4.42 -0.04 0.00 0.35 0.00 0.00 41.96 37.79 2k11 s TYR 115 CO 0.50 -2.09 -0.11 0.14 -1.34 0.00 0.00 175.55 172.65 2k11 s VAL 116 N 6.61 1.02 -0.19 3.14 -7.23 -1.26 -4.89 120.40 117.60 2k11 s VAL 116 Ca 0.49 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 2k11 s VAL 116 Cb -0.10 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 2k11 s VAL 116 CO 0.20 -0.53 1.59 -2.16 -0.31 0.00 0.00 175.10 173.90 2k11 s PRO 117 N -2.77 3.89 0.00 4.82 0.04 -1.26 -1.22 135.00 138.49 2k11 s PRO 117 Ca 0.06 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.92 2k11 s PRO 117 Cb -0.03 -4.01 0.16 0.00 0.04 0.00 0.00 34.50 30.66 2k11 s PRO 117 CO 0.01 -1.18 1.00 1.33 0.04 0.00 0.00 177.00 178.19 2k11 n VAL 118 N 6.19 0.55 -3.61 -0.36 0.24 -0.69 -4.79 118.33 115.86 2k11 n VAL 118 Ca 0.18 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.34 61.55 2k11 n VAL 118 Cb 0.45 0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.86 -0.63 -0.11 6.34 5.65 -0.93 -4.48 115.29 120.27 2k11 s HIS 119 Ca 0.14 1.32 -0.01 0.00 0.25 0.00 0.00 55.06 56.75 2k11 s HIS 119 Cb 0.08 0.30 -0.03 0.00 -1.18 0.00 0.00 32.58 31.75 2k11 s HIS 119 CO 0.11 -0.46 -0.05 0.12 -0.65 0.00 0.00 174.74 173.81 2k11 s PHE 120 N -0.50 2.99 0.00 3.88 2.19 -1.26 -0.03 117.98 125.26 2k11 s PHE 120 Ca -0.06 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.08 2k11 s PHE 120 Cb -0.03 -1.82 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 2k11 s PHE 120 CO 0.05 0.18 0.00 -3.47 1.83 0.00 0.00 175.22 173.81 2k11 n ASP 121 N 2.80 0.00 -3.59 6.13 2.03 0.05 -4.90 116.55 119.06 2k11 n ASP 121 Ca -0.18 0.02 -0.07 0.00 0.52 0.00 0.00 54.79 55.08 2k11 n ASP 121 Cb 0.53 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 2k11 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k11 s ALA 122 N -4.27 -1.99 0.03 -1.67 0.00 -1.13 -5.02 121.76 107.72 2k11 s ALA 122 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 2k11 s ALA 122 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 2k11 s ALA 122 CO 0.00 -0.35 0.82 -1.54 0.00 0.00 0.00 175.76 174.68 2k11 s SER 123 N -1.32 7.25 0.71 0.00 1.04 -1.26 -1.76 113.70 118.35 2k11 s SER 123 Ca 0.03 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.92 2k11 s SER 123 Cb -0.01 -2.49 0.11 0.00 0.10 0.00 0.00 66.02 63.73 2k11 s SER 123 CO -0.03 -0.05 0.99 -0.69 0.98 0.00 0.00 173.24 174.44 2k11 s VAL 124 N 0.22 2.24 -0.10 5.02 1.01 -0.57 -4.94 120.40 123.28 2k11 s VAL 124 Ca 0.42 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2k11 s VAL 124 Cb -0.21 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2k11 s VAL 124 CO 0.24 0.00 -0.18 1.21 0.00 0.00 0.00 175.10 176.37 2k11 n GLU 125 N -2.85 0.30 -3.95 2.72 2.13 -1.26 -3.78 120.64 113.94 2k11 n GLU 125 Ca 0.13 0.18 -0.09 0.00 0.66 0.00 0.00 57.16 58.03 2k11 n GLU 125 Cb 0.60 -1.10 -0.03 0.00 0.27 0.00 0.00 31.44 31.18 2k11 n GLU 125 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k11 s ASP 126 N -5.05 0.04 0.00 4.31 2.15 -1.26 -4.55 116.67 112.32 2k11 s ASP 126 Ca -0.15 -0.98 0.27 0.00 0.43 0.00 0.00 52.55 52.12 2k11 s ASP 126 Cb 0.02 0.67 0.93 0.00 -0.30 0.00 0.00 42.92 44.24 2k11 s ASP 126 CO 0.23 -1.30 1.68 -0.24 -0.17 0.00 0.00 175.17 175.37