#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k11 s GLU 2 N 0.00 3.25 0.19 -1.58 2.12 -1.26 -5.11 118.70 116.32 2k11 s GLU 2 Ca 0.00 -0.10 -0.23 0.00 0.36 0.00 0.00 54.97 55.00 2k11 s GLU 2 Cb 0.00 -2.43 0.05 0.00 0.26 0.00 0.00 34.13 32.01 2k11 s GLU 2 CO 0.00 -0.30 0.77 0.45 -0.54 0.00 0.00 175.26 175.64 2k11 s SER 3 N -4.18 -0.32 -0.08 -1.70 0.15 -1.26 -5.08 113.70 101.24 2k11 s SER 3 Ca 0.48 -0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.66 2k11 s SER 3 Cb -0.10 0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 64.73 2k11 s SER 3 CO 0.42 -1.07 0.43 -0.09 1.20 0.00 0.00 173.24 174.13 2k11 h ARG 4 N 2.00 -0.20 -0.36 5.44 9.65 -2.02 -3.24 114.38 125.66 2k11 h ARG 4 Ca -0.24 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.76 2k11 h ARG 4 Cb 1.26 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 2k11 h ARG 4 CO 0.28 0.04 0.87 0.00 2.80 0.00 0.00 179.97 183.95 2k11 h ALA 5 N -0.81 2.18 -0.39 2.80 0.00 -1.94 0.32 119.26 121.41 2k11 h ALA 5 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k11 h ALA 5 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2k11 h ALA 5 CO 0.03 -1.05 0.22 0.87 0.00 0.00 0.00 179.25 179.32 2k11 h LYS 6 N 0.00 0.43 -0.95 0.00 1.57 -1.92 -1.95 116.57 113.75 2k11 h LYS 6 Ca 0.17 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.08 2k11 h LYS 6 Cb 1.90 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 34.03 2k11 h LYS 6 CO -0.00 0.28 0.60 0.87 -0.57 0.00 0.00 179.45 180.63 2k11 h LYS 7 N 0.44 0.71 0.00 3.15 6.56 -0.54 0.24 116.57 127.13 2k11 h LYS 7 Ca 0.16 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.61 2k11 h LYS 7 Cb 0.03 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.51 2k11 h LYS 7 CO -0.08 0.47 -0.46 0.35 -2.06 0.00 0.00 179.45 177.67 2k11 h PHE 8 N 0.73 0.00 0.18 -1.35 3.57 -1.48 -2.75 116.94 115.83 2k11 h PHE 8 Ca 0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 2k11 h PHE 8 Cb 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2k11 h PHE 8 CO -0.00 0.46 -0.09 1.96 -2.23 0.00 0.00 178.31 178.41 2k11 h GLN 9 N 0.00 -0.23 -0.02 1.11 7.50 0.03 -2.84 115.11 120.67 2k11 h GLN 9 Ca -0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2k11 h GLN 9 Cb 0.94 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.52 2k11 h GLN 9 CO 0.06 0.14 0.00 0.54 -1.50 0.00 0.00 178.83 178.07 2k11 n ARG 10 N -5.01 0.92 -0.10 1.46 1.74 -0.81 -1.69 116.66 113.18 2k11 n ARG 10 Ca -0.09 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 2k11 n ARG 10 Cb 0.25 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 2k11 n ARG 10 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2k11 n GLN 11 N -0.49 0.53 -0.01 5.56 7.27 -1.04 -4.88 117.38 124.32 2k11 n GLN 11 Ca 0.00 0.28 -0.02 0.00 0.07 0.00 0.00 57.00 57.34 2k11 n GLN 11 Cb 0.01 -1.49 -0.01 0.00 2.41 0.00 0.00 30.24 31.15 2k11 n GLN 11 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2k11 n HIS 12 N -4.45 0.00 -1.96 3.69 8.25 -1.09 -4.91 115.22 114.76 2k11 n HIS 12 Ca -0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 2k11 n HIS 12 Cb 0.55 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 2.70 -0.11 -0.41 -1.94 -0.68 -1.11 119.30 115.70 2k11 s MET 13 Ca -0.03 0.91 0.15 0.00 -1.71 0.00 0.00 55.69 55.01 2k11 s MET 13 Cb 0.01 -4.38 0.28 0.00 2.01 0.00 0.00 34.83 32.76 2k11 s MET 13 CO 0.07 -2.63 1.18 -0.40 -0.01 0.00 0.00 175.02 173.23 2k11 n ASP 14 N 12.71 2.59 -0.29 3.03 5.75 -0.66 -4.30 116.55 135.37 2k11 n ASP 14 Ca 0.23 -2.85 0.25 0.00 -0.01 0.00 0.00 54.79 52.41 2k11 n ASP 14 Cb 0.51 -0.37 0.42 0.00 -1.03 0.00 0.00 41.12 40.65 2k11 n ASP 14 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k11 n SER 15 N -1.03 0.13 -0.33 -1.12 3.41 0.10 0.40 113.62 115.18 2k11 n SER 15 Ca 0.14 0.87 0.07 0.00 -0.26 0.00 0.00 58.87 59.69 2k11 n SER 15 Cb 0.61 -0.43 0.15 0.00 -0.26 0.00 0.00 64.21 64.29 2k11 n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k11 n ASP 16 N -3.94 -0.30 -4.08 4.04 -0.08 -1.26 -4.44 116.55 106.49 2k11 n ASP 16 Ca 0.25 1.60 -0.30 0.00 -1.51 0.00 0.00 54.79 54.84 2k11 n ASP 16 Cb 0.97 -0.50 0.20 0.00 2.34 0.00 0.00 41.12 44.13 2k11 n ASP 16 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2k11 s SER 17 N -5.21 2.25 0.35 1.67 0.01 0.16 -5.08 113.70 107.85 2k11 s SER 17 Ca -0.14 0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.71 2k11 s SER 17 Cb 0.26 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2k11 s SER 17 CO 0.73 -3.29 0.24 -0.44 0.41 0.00 0.00 173.24 170.89 2k11 s SER 18 N -4.37 5.01 0.39 2.44 0.01 -1.26 -4.96 113.70 110.96 2k11 s SER 18 Ca 0.71 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2k11 s SER 18 Cb -0.08 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.32 2k11 s SER 18 CO 0.54 -0.37 0.00 -0.81 0.41 0.00 0.00 173.24 173.02 2k11 n PRO 19 N -1.30 0.21 -3.08 12.44 -0.04 -1.26 -4.66 135.00 137.31 2k11 n PRO 19 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 2k11 n PRO 19 Cb 0.61 0.00 0.06 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 -1.17 -2.67 -4.28 3.54 2.88 -1.26 -4.99 113.62 105.67 2k11 n SER 20 Ca 0.00 -0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 56.68 2k11 n SER 20 Cb 0.00 -3.81 -0.08 0.00 -0.75 0.00 0.00 64.21 59.58 2k11 n SER 20 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k11 s SER 21 N -3.82 5.89 -0.03 -3.46 1.04 -1.26 -4.83 113.70 107.23 2k11 s SER 21 Ca 0.09 -1.69 0.01 0.00 0.48 0.00 0.00 55.95 54.83 2k11 s SER 21 Cb -0.04 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 2k11 s SER 21 CO 0.52 -0.69 -0.02 -0.24 0.98 0.00 0.00 173.24 173.79 2k11 n SER 22 N 5.05 3.93 -2.72 7.02 2.88 -1.26 -3.19 113.62 125.33 2k11 n SER 22 Ca -0.11 -0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.41 2k11 n SER 22 Cb 0.42 0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 2k11 n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k11 n SER 23 N -2.48 -1.44 -0.40 -3.46 7.64 -1.26 -4.50 113.62 107.72 2k11 n SER 23 Ca -0.04 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2k11 n SER 23 Cb 0.55 -0.05 0.00 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 -2.81 0.00 -0.21 0.44 -2.24 -1.26 -4.08 114.28 104.12 2k11 n THR 24 Ca 0.01 0.00 0.27 0.00 -2.27 0.00 0.00 64.05 62.06 2k11 n THR 24 Cb 0.03 -0.19 0.42 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.18 0.00 -0.04 4.78 4.19 -1.26 -0.46 117.16 124.55 2k11 n TYR 25 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 2k11 n TYR 25 Cb 0.06 -0.25 -0.00 0.00 0.49 0.00 0.00 39.34 39.63 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 -3.99 0.17 -0.02 0.00 2.85 0.39 -0.98 115.26 113.68 2k11 n ASN 27 Ca -0.02 0.91 -0.01 0.00 -0.11 0.00 0.00 54.58 55.35 2k11 n ASN 27 Cb 0.06 -0.45 -0.00 0.00 1.24 0.00 0.00 39.78 40.64 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 -0.12 1.20 4.20 -1.64 -3.34 115.11 115.41 2k11 h GLN 28 Ca 0.52 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.24 2k11 h GLN 28 Cb 1.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 2k11 h GLN 28 CO -0.36 0.00 -0.07 -1.33 -0.67 0.00 0.00 178.83 176.40 2k11 n MET 29 N -3.12 -0.05 -0.35 1.46 2.81 -0.15 0.25 117.12 117.97 2k11 n MET 29 Ca -0.02 0.66 0.29 0.00 -1.81 0.00 0.00 57.70 56.82 2k11 n MET 29 Cb 0.07 -0.99 0.55 0.00 -0.71 0.00 0.00 33.22 32.13 2k11 n MET 29 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2k11 h MET 30 N 0.00 0.17 0.21 0.03 2.86 -1.53 0.18 114.93 116.85 2k11 h MET 30 Ca 0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2k11 h MET 30 Cb 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2k11 h MET 30 CO -0.11 0.11 -0.10 -0.09 1.06 0.00 0.00 176.91 177.78 2k11 h ARG 31 N 0.17 -0.27 -0.90 1.72 2.43 0.32 -3.05 114.38 114.80 2k11 h ARG 31 Ca 0.79 0.02 0.26 0.00 -0.81 0.00 0.00 59.98 60.24 2k11 h ARG 31 Cb 2.02 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.60 2k11 h ARG 31 CO -0.63 0.07 0.85 0.00 -1.51 0.00 0.00 179.97 178.74 2k11 h ARG 32 N -0.96 0.00 -0.69 0.20 -0.00 0.17 1.29 114.38 114.39 2k11 h ARG 32 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2k11 h ARG 32 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.43 2k11 h ARG 32 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.97 180.56 2k11 n ARG 33 N -3.71 1.28 -3.87 0.04 5.12 -0.28 -4.85 116.66 110.38 2k11 n ARG 33 Ca 0.19 -0.25 -0.26 0.00 -1.93 0.00 0.00 57.85 55.59 2k11 n ARG 33 Cb 1.15 -1.41 0.01 0.00 -1.16 0.00 0.00 32.46 31.05 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 -0.06 -2.43 -0.13 0.55 3.02 0.44 -4.86 115.26 111.79 2k11 n ASN 34 Ca 0.02 -0.86 0.01 0.00 -0.03 0.00 0.00 54.58 53.73 2k11 n ASN 34 Cb 0.25 -3.69 0.03 0.00 -0.61 0.00 0.00 39.78 35.75 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 -4.45 1.88 -0.14 3.52 2.81 -1.15 -4.55 117.12 115.03 2k11 n MET 35 Ca -0.15 -1.33 0.05 0.00 -1.81 0.00 0.00 57.70 54.46 2k11 n MET 35 Cb 0.61 -1.06 0.12 0.00 -0.71 0.00 0.00 33.22 32.18 2k11 n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2k11 n THR 36 N -0.14 1.44 -2.91 2.03 -2.24 -1.26 -4.13 114.28 107.07 2k11 n THR 36 Ca 0.02 -1.45 -0.41 0.00 -2.27 0.00 0.00 64.05 59.94 2k11 n THR 36 Cb 0.22 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 2k11 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k11 s GLN 37 N -1.77 4.43 0.00 -0.78 -0.21 -1.26 -3.77 119.66 116.30 2k11 s GLN 37 Ca 0.21 1.07 0.00 0.00 0.02 0.00 0.00 55.36 56.66 2k11 s GLN 37 Cb 0.16 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.68 2k11 s GLN 37 CO 0.06 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 2k11 n GLY 38 N 3.16 2.62 3.63 3.09 0.00 -1.26 -4.89 105.19 111.54 2k11 n GLY 38 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.01 1.39 -0.26 1.61 1.70 -1.25 -5.14 118.95 116.99 2k11 s ARG 39 Ca 0.00 -0.66 -0.10 0.00 -0.47 0.00 0.00 55.73 54.51 2k11 s ARG 39 Cb 0.00 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 2k11 s ARG 39 CO 0.00 -0.62 0.14 0.00 -1.08 0.00 0.00 175.30 173.74 2k11 n LYS 41 N 4.86 1.69 -0.04 0.00 3.00 -1.26 -4.79 118.16 121.62 2k11 n LYS 41 Ca -0.15 0.61 -0.13 0.00 -0.00 0.00 0.00 58.31 58.64 2k11 n LYS 41 Cb 0.52 -2.26 -0.08 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 4.67 0.22 -3.13 1.64 0.13 -1.96 -3.42 132.00 130.14 2k11 h PRO 42 Ca -0.45 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2k11 h PRO 42 Cb 1.30 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 2k11 h PRO 42 CO 0.79 0.64 0.13 0.08 -0.23 0.00 0.00 178.00 179.41 2k11 s VAL 43 N -4.28 0.02 0.03 1.56 1.01 -1.26 -2.42 120.40 115.05 2k11 s VAL 43 Ca -0.15 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2k11 s VAL 43 Cb 0.04 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 35.19 2k11 s VAL 43 CO 0.72 -0.07 0.98 0.21 0.00 0.00 0.00 175.10 176.94 2k11 s ASN 44 N -2.81 -0.25 -0.25 3.32 2.47 0.36 -4.98 114.94 112.80 2k11 s ASN 44 Ca 0.05 -0.16 -0.04 0.00 0.42 0.00 0.00 52.86 53.13 2k11 s ASN 44 Cb -0.01 0.38 0.08 0.00 -1.45 0.00 0.00 41.25 40.25 2k11 s ASN 44 CO -0.07 -0.65 0.11 -0.89 -3.72 0.00 0.00 177.10 171.87 2k11 s THR 45 N -3.05 0.05 1.25 -5.21 2.01 -1.26 -0.34 115.64 109.08 2k11 s THR 45 Ca 0.09 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 2k11 s THR 45 Cb -0.01 -0.91 0.31 0.00 0.01 0.00 0.00 72.50 71.90 2k11 s THR 45 CO -0.04 -0.54 1.11 -0.36 -0.69 0.00 0.00 174.62 174.10 2k11 s PHE 46 N 2.05 0.11 -0.15 4.92 0.40 0.14 -4.69 117.98 120.76 2k11 s PHE 46 Ca 0.06 0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.66 2k11 s PHE 46 Cb -0.16 -3.49 0.05 0.00 0.51 0.00 0.00 43.02 39.93 2k11 s PHE 46 CO -0.25 -4.10 0.39 0.08 0.70 0.00 0.00 175.22 172.04 2k11 s VAL 47 N -3.01 -0.01 -0.39 -0.44 1.01 -0.26 -2.44 120.40 114.85 2k11 s VAL 47 Ca 0.72 0.04 0.16 0.00 0.00 0.00 0.00 61.98 62.90 2k11 s VAL 47 Cb -0.08 -0.56 0.57 0.00 0.00 0.00 0.00 36.38 36.31 2k11 s VAL 47 CO 0.56 0.02 1.48 1.41 0.00 0.00 0.00 175.10 178.56 2k11 n HIS 48 N 3.42 1.13 -4.31 5.22 8.25 0.92 -0.72 115.22 129.13 2k11 n HIS 48 Ca -0.17 -0.77 -0.27 0.00 -0.26 0.00 0.00 57.72 56.24 2k11 n HIS 48 Cb 0.56 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.46 1.95 0.56 -0.41 -6.30 -1.24 -4.73 118.70 106.07 2k11 s GLU 49 Ca 0.43 -1.28 -0.19 0.00 -2.50 0.00 0.00 54.97 51.42 2k11 s GLU 49 Cb 0.32 -2.11 -0.05 0.00 0.00 0.00 0.00 34.13 32.29 2k11 s GLU 49 CO 0.13 0.44 1.13 -1.25 0.02 0.00 0.00 175.26 175.72 2k11 s PRO 50 N -2.69 3.28 0.08 4.30 0.04 -1.26 -4.44 135.00 134.31 2k11 s PRO 50 Ca 0.23 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.53 2k11 s PRO 50 Cb -0.09 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.29 2k11 s PRO 50 CO 0.14 -0.91 1.62 1.25 0.04 0.00 0.00 177.00 179.14 2k11 h LEU 51 N 1.04 -0.85 -0.74 -3.56 5.85 -2.00 -2.52 115.31 112.52 2k11 h LEU 51 Ca -0.50 0.05 0.29 0.00 0.84 0.00 0.00 57.88 58.56 2k11 h LEU 51 Cb 1.26 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 2k11 h LEU 51 CO 0.56 -0.53 0.44 0.55 -0.34 0.00 0.00 178.44 179.13 2k11 n VAL 52 N -5.47 -0.22 -0.01 1.05 3.14 -1.26 0.24 118.33 115.79 2k11 n VAL 52 Ca -0.12 1.24 -0.13 0.00 -2.96 0.00 0.00 64.34 62.38 2k11 n VAL 52 Cb 0.37 -2.03 -0.09 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 0.05 -0.05 6.55 3.58 -1.84 -2.83 116.42 121.89 2k11 h ASP 53 Ca 0.55 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2k11 h ASP 53 Cb 1.60 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 2k11 h ASP 53 CO -0.41 0.40 -0.09 0.58 -2.88 0.00 0.00 179.24 176.84 2k11 h VAL 54 N -0.29 1.18 -0.41 2.25 2.07 0.31 -2.82 116.25 118.54 2k11 h VAL 54 Ca 0.01 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k11 h VAL 54 Cb 0.38 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2k11 h VAL 54 CO 0.00 0.25 0.25 1.56 0.02 0.00 0.00 177.57 179.65 2k11 h GLN 55 N 0.30 0.55 -0.71 1.57 4.20 -0.86 -2.01 115.11 118.15 2k11 h GLN 55 Ca 0.06 -0.05 0.20 0.00 0.06 0.00 0.00 58.65 58.92 2k11 h GLN 55 Cb 0.35 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2k11 h GLN 55 CO 0.02 0.41 0.51 -0.91 -0.67 0.00 0.00 178.83 178.19 2k11 h ASN 56 N 0.54 0.04 -0.69 1.46 2.35 -1.24 -0.57 115.58 117.46 2k11 h ASN 56 Ca 0.15 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 2k11 h ASN 56 Cb -0.00 -0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 2k11 h ASN 56 CO -0.03 0.02 0.34 0.58 -1.65 0.00 0.00 177.43 176.69 2k11 h VAL 57 N 0.04 0.86 0.00 2.81 2.07 -1.41 0.64 116.25 121.26 2k11 h VAL 57 Ca 0.34 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2k11 h VAL 57 Cb 1.30 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2k11 h VAL 57 CO -0.02 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.72 2k11 n PHE 59 N -2.59 0.00 -0.01 0.00 3.72 0.59 -4.78 117.46 114.40 2k11 n PHE 59 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2k11 n PHE 59 Cb 0.08 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.19 0.00 -5.14 -1.08 4.20 0.22 -3.50 115.11 110.00 2k11 h GLN 60 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 2k11 h GLN 60 Cb 0.17 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 2k11 h GLN 60 CO 0.00 0.00 -0.53 -2.00 -0.67 0.00 0.00 178.83 175.63 2k11 s GLU 61 N -1.14 1.98 0.19 1.46 2.12 -0.82 -5.05 118.70 117.44 2k11 s GLU 61 Ca -0.01 -2.22 -0.03 0.00 0.36 0.00 0.00 54.97 53.07 2k11 s GLU 61 Cb 0.00 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 2k11 s GLU 61 CO 0.02 -0.39 0.17 0.15 -0.54 0.00 0.00 175.26 174.68 2k11 s LYS 62 N -3.78 1.17 0.37 4.30 1.02 -1.26 -4.35 119.74 117.21 2k11 s LYS 62 Ca 0.20 -1.49 -0.14 0.00 0.02 0.00 0.00 55.97 54.57 2k11 s LYS 62 Cb 0.03 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2k11 s LYS 62 CO 0.11 -0.40 0.72 0.14 -0.92 0.00 0.00 175.35 175.01 2k11 s VAL 63 N -4.09 0.00 0.56 3.17 -7.23 -0.73 -4.52 120.40 107.54 2k11 s VAL 63 Ca 0.31 -1.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2k11 s VAL 63 Cb 0.06 -2.76 0.06 0.00 0.56 0.00 0.00 36.38 34.29 2k11 s VAL 63 CO 0.08 0.00 0.56 -0.89 -0.31 0.00 0.00 175.10 174.54 2k11 s THR 64 N -2.58 1.86 0.36 5.32 2.01 -1.26 -4.32 115.64 117.03 2k11 s THR 64 Ca 0.18 -1.29 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 2k11 s THR 64 Cb -0.04 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.35 2k11 s THR 64 CO 0.13 0.00 0.69 0.00 -0.69 0.00 0.00 174.62 174.75 2k11 h LYS 66 N 2.04 0.50 -0.36 0.00 3.64 -2.01 0.63 116.57 121.00 2k11 h LYS 66 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2k11 h LYS 66 Cb 1.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2k11 h LYS 66 CO 0.39 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 178.17 2k11 n ASN 67 N -4.95 0.60 -4.18 4.20 6.94 -1.26 -4.87 115.26 111.74 2k11 n ASN 67 Ca 0.15 -2.02 -0.34 0.00 -0.02 0.00 0.00 54.58 52.36 2k11 n ASN 67 Cb 0.43 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 2k11 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k11 n GLY 68 N 0.39 -0.37 3.61 4.83 0.00 0.22 -4.95 105.19 108.93 2k11 n GLY 68 Ca 0.02 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.89 2.20 -0.00 1.61 -0.21 -1.26 -4.85 119.66 110.25 2k11 s GLN 69 Ca 0.53 -1.36 0.11 0.00 0.02 0.00 0.00 55.36 54.66 2k11 s GLN 69 Cb -0.29 -2.16 0.31 0.00 1.00 0.00 0.00 33.01 31.87 2k11 s GLN 69 CO 0.93 0.39 1.25 0.41 -2.12 0.00 0.00 175.29 176.16 2k11 n GLY 70 N -0.50 0.65 0.00 3.09 0.00 -1.26 -3.76 105.19 103.41 2k11 n GLY 70 Ca -0.08 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 0.52 0.00 -4.87 1.61 6.94 -1.26 -4.64 115.26 113.56 2k11 n ASN 71 Ca 0.12 0.48 -0.31 0.00 -0.02 0.00 0.00 54.58 54.84 2k11 n ASN 71 Cb 0.30 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.19 2k11 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k11 s TYR 73 N -1.45 -0.40 -0.03 0.00 1.51 -0.85 -1.78 117.35 114.35 2k11 s TYR 73 Ca 0.32 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 2k11 s TYR 73 Cb -0.13 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.96 2k11 s TYR 73 CO 0.25 -0.54 -0.14 0.15 -1.11 0.00 0.00 175.55 174.17 2k11 s LYS 74 N -1.68 2.46 -0.00 -0.62 1.02 -1.26 -2.25 119.74 117.41 2k11 s LYS 74 Ca -0.10 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 2k11 s LYS 74 Cb -0.02 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2k11 s LYS 74 CO 0.04 0.61 1.25 -1.54 -0.92 0.00 0.00 175.35 174.79 2k11 s SER 75 N -0.90 7.01 0.00 2.83 1.04 -0.77 -4.22 113.70 118.69 2k11 s SER 75 Ca 0.13 1.96 0.17 0.00 0.48 0.00 0.00 55.95 58.68 2k11 s SER 75 Cb -0.11 -2.57 0.99 0.00 0.10 0.00 0.00 66.02 64.44 2k11 s SER 75 CO 0.02 -0.58 1.54 0.59 0.98 0.00 0.00 173.24 175.79 2k11 n ASN 76 N 4.83 0.00 -3.79 7.02 3.02 -1.26 -4.58 115.26 120.50 2k11 n ASN 76 Ca 0.11 -1.21 -0.14 0.00 -0.03 0.00 0.00 54.58 53.31 2k11 n ASN 76 Cb 0.46 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.47 2k11 n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2k11 s SER 77 N -1.66 0.03 0.77 6.41 1.04 -1.26 -5.03 113.70 114.01 2k11 s SER 77 Ca 0.25 0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 2k11 s SER 77 Cb 0.11 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2k11 s SER 77 CO 0.19 -0.11 0.56 -1.54 0.98 0.00 0.00 173.24 173.32 2k11 n SER 78 N 3.95 -1.18 -3.79 7.02 3.41 -1.26 -4.42 113.62 117.33 2k11 n SER 78 Ca -0.24 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 2k11 n SER 78 Cb 0.52 -1.24 -0.12 0.00 -0.26 0.00 0.00 64.21 63.11 2k11 n SER 78 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2k11 s MET 79 N -3.02 0.24 -0.12 4.33 -1.94 -0.98 -4.75 119.30 113.05 2k11 s MET 79 Ca 0.64 0.31 -0.29 0.00 -1.71 0.00 0.00 55.69 54.64 2k11 s MET 79 Cb -0.32 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.57 2k11 s MET 79 CO 0.59 -0.04 1.63 -1.01 -0.01 0.00 0.00 175.02 176.18 2k11 s HIS 80 N 0.22 2.06 0.07 -0.03 3.76 -1.26 -1.08 115.29 119.04 2k11 s HIS 80 Ca -0.01 0.39 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 2k11 s HIS 80 Cb -0.02 -3.91 -0.03 0.00 1.11 0.00 0.00 32.58 29.73 2k11 s HIS 80 CO -0.01 -3.38 -0.07 0.96 -0.85 0.00 0.00 174.74 171.40 2k11 s ILE 81 N 4.52 0.61 -0.31 0.60 -0.00 -0.68 -0.06 121.20 125.88 2k11 s ILE 81 Ca 0.72 -1.54 -0.03 0.00 -0.00 0.00 0.00 60.65 59.80 2k11 s ILE 81 Cb -0.29 -1.19 0.05 0.00 -0.00 0.00 0.00 42.46 41.03 2k11 s ILE 81 CO 0.28 -0.66 0.03 -0.89 -0.00 0.00 0.00 174.94 173.71 2k11 s THR 82 N -2.62 3.13 0.14 8.37 2.01 -1.02 -2.71 115.64 122.94 2k11 s THR 82 Ca 0.02 -1.38 -0.31 0.00 0.31 0.00 0.00 61.69 60.33 2k11 s THR 82 Cb -0.02 -2.82 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2k11 s THR 82 CO -0.03 -0.15 1.39 -0.62 -0.69 0.00 0.00 174.62 174.53 2k11 s ASP 83 N 1.31 6.81 -0.29 3.53 -1.08 -0.84 0.28 116.67 126.39 2k11 s ASP 83 Ca -0.04 2.37 -0.01 0.00 -0.52 0.00 0.00 52.55 54.35 2k11 s ASP 83 Cb -0.20 -2.59 0.09 0.00 -1.46 0.00 0.00 42.92 38.76 2k11 s ASP 83 CO -0.01 -0.65 0.08 0.00 0.52 0.00 0.00 175.17 175.11 2k11 s ARG 85 N 1.63 1.13 0.71 0.00 3.52 -1.08 0.14 118.95 125.00 2k11 s ARG 85 Ca 0.07 -0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 55.04 2k11 s ARG 85 Cb -0.17 -1.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.11 2k11 s ARG 85 CO -0.21 0.26 0.66 1.28 -0.81 0.00 0.00 175.30 176.48 2k11 n LEU 86 N 2.85 1.61 -4.82 -0.88 4.77 -1.02 0.26 117.00 119.77 2k11 n LEU 86 Ca -0.15 0.62 -0.30 0.00 -0.03 0.00 0.00 56.01 56.15 2k11 n LEU 86 Cb 0.55 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 2k11 n LEU 86 CO 0.25 -2.79 -0.14 0.42 -1.33 0.00 0.00 177.39 173.80 2k11 s THR 87 N -1.88 1.35 0.27 -5.08 -4.23 0.15 -4.63 115.64 101.60 2k11 s THR 87 Ca 0.68 -1.80 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 2k11 s THR 87 Cb -0.35 -2.15 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 2k11 s THR 87 CO 0.56 0.00 1.50 -3.20 -0.54 0.00 0.00 174.62 172.94 2k11 n ASN 88 N -1.46 3.34 -2.23 3.99 5.15 -1.26 -1.43 115.26 121.35 2k11 n ASN 88 Ca -0.12 1.15 -0.13 0.00 -0.60 0.00 0.00 54.58 54.88 2k11 n ASN 88 Cb 0.66 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.38 2k11 n ASN 88 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k11 n GLY 89 N 2.11 -0.18 0.86 8.20 0.00 -1.26 -4.80 105.19 110.13 2k11 n GLY 89 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.55 3.74 -4.62 1.61 7.64 -0.52 -4.89 113.62 115.04 2k11 n SER 90 Ca -0.14 -2.82 -0.29 0.00 1.01 0.00 0.00 58.87 56.62 2k11 n SER 90 Cb 0.57 -0.49 0.13 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.47 1.40 0.28 1.43 1.81 -1.08 -2.19 118.95 118.13 2k11 s ARG 91 Ca 0.39 -0.05 -0.29 0.00 -1.72 0.00 0.00 55.73 54.06 2k11 s ARG 91 Cb 0.30 -1.90 -0.14 0.00 -0.45 0.00 0.00 34.95 32.76 2k11 s ARG 91 CO 0.10 -1.95 1.16 0.98 -0.68 0.00 0.00 175.30 174.91 2k11 n TYR 92 N -3.53 1.67 0.30 -0.53 4.19 -1.26 0.29 117.16 118.29 2k11 n TYR 92 Ca 0.10 0.62 0.17 0.00 3.31 0.00 0.00 57.90 62.10 2k11 n TYR 92 Cb 0.60 -2.33 0.68 0.00 0.49 0.00 0.00 39.34 38.78 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 2.67 0.00 -6.69 2.98 0.13 -1.99 -3.50 132.00 125.60 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 0.07 0.00 0.13 0.00 0.00 31.00 32.52 2k11 h PRO 93 CO 0.65 0.00 0.88 0.09 -0.23 0.00 0.00 178.00 179.38 2k11 n ASN 94 N -2.96 3.66 -0.08 1.44 4.13 0.83 -4.87 115.26 117.40 2k11 n ASN 94 Ca 0.01 1.11 0.07 0.00 1.68 0.00 0.00 54.58 57.45 2k11 n ASN 94 Cb 0.28 -1.54 0.10 0.00 -1.54 0.00 0.00 39.78 37.08 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 -1.15 0.94 -2.06 0.00 0.00 -1.10 -4.51 120.51 112.64 2k11 n ALA 96 Ca 0.12 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 2k11 n ALA 96 Cb 0.57 -2.69 0.06 0.00 0.00 0.00 0.00 19.45 17.39 2k11 n ALA 96 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k11 s TYR 97 N 8.80 1.46 -0.27 0.00 2.02 -1.26 -0.67 117.35 127.43 2k11 s TYR 97 Ca 1.10 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 57.07 2k11 s TYR 97 Cb -0.73 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 38.68 2k11 s TYR 97 CO 0.43 -1.09 -0.04 1.03 -1.57 0.00 0.00 175.55 174.30 2k11 s ARG 98 N -4.63 2.65 -0.58 -0.62 1.81 0.72 -4.47 118.95 113.82 2k11 s ARG 98 Ca 0.60 -1.11 -0.22 0.00 -1.72 0.00 0.00 55.73 53.28 2k11 s ARG 98 Cb -0.06 -3.05 0.06 0.00 -0.45 0.00 0.00 34.95 31.45 2k11 s ARG 98 CO 0.38 -0.49 0.87 0.99 -0.68 0.00 0.00 175.30 176.36 2k11 s THR 99 N 1.28 4.50 -0.45 0.02 2.01 -1.23 -2.64 115.64 119.12 2k11 s THR 99 Ca -0.02 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 2k11 s THR 99 Cb -0.18 -4.54 0.11 0.00 0.01 0.00 0.00 72.50 67.91 2k11 s THR 99 CO -0.03 -1.17 0.31 -0.55 -0.69 0.00 0.00 174.62 172.48 2k11 s SER 100 N 3.16 5.60 -0.38 3.53 0.15 -0.16 -4.46 113.70 121.12 2k11 s SER 100 Ca 0.23 -1.91 -0.28 0.00 0.70 0.00 0.00 55.95 54.68 2k11 s SER 100 Cb -0.16 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 2k11 s SER 100 CO 0.14 -0.65 1.72 -2.16 1.20 0.00 0.00 173.24 173.49 2k11 s PRO 101 N 1.32 3.30 0.28 5.44 0.04 -1.19 -1.99 135.00 142.19 2k11 s PRO 101 Ca 0.06 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2k11 s PRO 101 Cb -0.25 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.08 2k11 s PRO 101 CO -0.01 -1.90 0.32 0.15 0.04 0.00 0.00 177.00 175.60 2k11 s LYS 102 N 5.67 1.58 -0.19 4.56 -0.14 -1.10 -5.03 119.74 125.09 2k11 s LYS 102 Ca 0.74 -1.68 -0.04 0.00 -1.36 0.00 0.00 55.97 53.63 2k11 s LYS 102 Cb -0.19 0.37 0.09 0.00 -1.68 0.00 0.00 37.83 36.41 2k11 s LYS 102 CO 0.32 -0.61 0.20 -1.83 -0.76 0.00 0.00 175.35 172.67 2k11 s GLU 103 N -3.67 0.16 0.19 1.68 -1.05 -1.26 -1.68 118.70 113.07 2k11 s GLU 103 Ca 0.34 0.17 -0.23 0.00 -0.15 0.00 0.00 54.97 55.10 2k11 s GLU 103 Cb 0.02 -1.27 0.05 0.00 -0.44 0.00 0.00 34.13 32.50 2k11 s GLU 103 CO 0.17 -0.64 0.72 0.50 0.95 0.00 0.00 175.26 176.96 2k11 s ARG 104 N 2.29 1.41 1.11 -4.83 6.06 -0.24 -4.65 118.95 120.10 2k11 s ARG 104 Ca 0.06 -0.67 -0.17 0.00 -2.50 0.00 0.00 55.73 52.45 2k11 s ARG 104 Cb -0.16 0.55 0.17 0.00 0.06 0.00 0.00 34.95 35.58 2k11 s ARG 104 CO -0.11 -0.63 0.26 0.72 -2.50 0.00 0.00 175.30 173.03 2k11 n HIS 105 N -0.41 -2.12 -3.59 5.12 8.25 -1.26 -2.31 115.22 118.90 2k11 n HIS 105 Ca -0.10 -0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 2k11 n HIS 105 Cb 0.62 -1.45 -0.04 0.00 1.12 0.00 0.00 29.99 30.23 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 -2.15 0.05 -0.20 1.59 -4.36 -1.26 -0.99 121.20 113.89 2k11 s ILE 106 Ca 0.48 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.45 2k11 s ILE 106 Cb -0.09 -1.10 0.02 0.00 1.25 0.00 0.00 42.46 42.54 2k11 s ILE 106 CO 0.50 -0.24 -0.17 -0.63 0.24 0.00 0.00 174.94 174.65 2k11 s ILE 107 N -3.56 2.25 0.19 8.37 1.09 0.61 -1.84 121.20 128.32 2k11 s ILE 107 Ca 0.01 -0.98 0.07 0.00 -1.10 0.00 0.00 60.65 58.66 2k11 s ILE 107 Cb 0.01 -2.01 -0.05 0.00 -1.06 0.00 0.00 42.46 39.35 2k11 s ILE 107 CO -0.10 0.44 -0.14 0.68 -0.10 0.00 0.00 174.94 175.72 2k11 s VAL 108 N 1.29 1.68 -0.43 2.92 -7.23 -0.95 -0.20 120.40 117.48 2k11 s VAL 108 Ca 0.03 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.96 2k11 s VAL 108 Cb -0.14 -2.00 0.10 0.00 0.56 0.00 0.00 36.38 34.90 2k11 s VAL 108 CO -0.11 -0.59 0.27 0.00 -0.31 0.00 0.00 175.10 174.36 2k11 s ALA 109 N -2.92 3.27 0.16 1.32 0.00 -0.33 -2.00 121.76 121.27 2k11 s ALA 109 Ca 0.21 -2.38 -0.01 0.00 0.00 0.00 0.00 51.96 49.78 2k11 s ALA 109 Cb -0.01 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2k11 s ALA 109 CO 0.06 -1.77 0.35 0.00 0.00 0.00 0.00 175.76 174.40 2k11 s GLU 111 N -3.05 1.32 2.38 0.00 2.02 -0.19 -4.77 118.70 116.41 2k11 s GLU 111 Ca 0.38 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2k11 s GLU 111 Cb -0.12 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2k11 s GLU 111 CO 0.28 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2k11 n GLY 112 N -0.67 -0.19 3.35 -1.39 0.00 -1.26 -3.65 105.19 101.37 2k11 n GLY 112 Ca -0.03 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.47 1.22 1.61 0.15 -1.26 -4.13 113.70 106.82 2k11 s SER 113 Ca 0.00 1.10 -0.18 0.00 0.70 0.00 0.00 55.95 57.56 2k11 s SER 113 Cb 0.00 1.40 0.27 0.00 -1.71 0.00 0.00 66.02 65.98 2k11 s SER 113 CO 0.00 -0.22 0.96 -0.81 1.20 0.00 0.00 173.24 174.37 2k11 n PRO 114 N 5.15 -2.91 -2.32 5.44 -0.04 -1.26 -5.03 135.00 134.03 2k11 n PRO 114 Ca -0.12 -1.54 -0.40 0.00 -0.04 0.00 0.00 63.50 61.39 2k11 n PRO 114 Cb 0.51 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2k11 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k11 s TYR 115 N -2.74 2.07 0.08 0.54 5.04 -1.26 -4.80 117.35 116.28 2k11 s TYR 115 Ca 0.63 0.41 0.04 0.00 -2.44 0.00 0.00 57.07 55.70 2k11 s TYR 115 Cb -0.06 -4.36 -0.03 0.00 0.35 0.00 0.00 41.96 37.85 2k11 s TYR 115 CO 0.48 -2.14 -0.10 0.14 -1.34 0.00 0.00 175.55 172.59 2k11 s VAL 116 N 6.94 0.88 -0.22 3.14 -7.23 -1.24 -4.89 120.40 117.78 2k11 s VAL 116 Ca 0.52 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 2k11 s VAL 116 Cb -0.11 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2k11 s VAL 116 CO 0.21 -0.49 1.61 -2.16 -0.31 0.00 0.00 175.10 173.96 2k11 s PRO 117 N -2.45 3.80 -0.04 4.82 0.04 -1.26 -1.02 135.00 138.88 2k11 s PRO 117 Ca 0.02 1.65 0.13 0.00 0.04 0.00 0.00 61.00 62.84 2k11 s PRO 117 Cb -0.05 -4.03 0.40 0.00 0.04 0.00 0.00 34.50 30.85 2k11 s PRO 117 CO 0.00 -1.29 1.33 1.33 0.04 0.00 0.00 177.00 178.41 2k11 n VAL 118 N 6.41 1.28 -3.56 -0.36 0.24 -0.70 -4.77 118.33 116.87 2k11 n VAL 118 Ca 0.19 -1.17 -0.10 0.00 -2.04 0.00 0.00 64.34 61.22 2k11 n VAL 118 Cb 0.45 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.37 -0.38 -0.09 6.34 5.65 -1.12 -4.64 115.29 119.68 2k11 s HIS 119 Ca 0.30 0.57 0.01 0.00 0.25 0.00 0.00 55.06 56.19 2k11 s HIS 119 Cb 0.18 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 32.02 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 2.85 0.00 3.88 2.19 -1.26 -1.19 117.98 122.94 2k11 s PHE 120 Ca -0.01 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.00 2k11 s PHE 120 Cb -0.01 -1.75 0.00 0.00 -1.31 0.00 0.00 43.02 39.95 2k11 s PHE 120 CO 0.00 0.10 0.00 -3.47 1.83 0.00 0.00 175.22 173.68 2k11 n ASP 121 N 2.77 0.00 -3.55 6.13 -0.08 0.72 -4.91 116.55 117.62 2k11 n ASP 121 Ca -0.18 0.03 -0.07 0.00 -1.51 0.00 0.00 54.79 53.07 2k11 n ASP 121 Cb 0.53 -0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 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 -3.80 -1.95 0.43 -1.67 0.00 -1.04 -5.00 121.76 108.72 2k11 s ALA 122 Ca 0.00 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 2k11 s ALA 122 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 2k11 s ALA 122 CO 0.00 -0.61 0.88 -1.12 0.00 0.00 0.00 175.76 174.91 2k11 s SER 123 N -2.23 6.75 0.37 0.00 0.01 -1.26 -0.28 113.70 117.06 2k11 s SER 123 Ca 0.07 1.48 0.07 0.00 1.31 0.00 0.00 55.95 58.88 2k11 s SER 123 Cb -0.01 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2k11 s SER 123 CO -0.06 -0.39 0.44 -0.69 0.41 0.00 0.00 173.24 172.94 2k11 s VAL 124 N -2.29 3.38 -0.26 3.43 1.01 -0.16 -4.88 120.40 120.64 2k11 s VAL 124 Ca 0.58 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2k11 s VAL 124 Cb -0.10 -3.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 2k11 s VAL 124 CO 0.22 -0.09 -0.21 -0.62 0.00 0.00 0.00 175.10 174.41 2k11 n GLU 125 N -1.61 0.61 -3.55 2.72 1.02 -1.26 -4.14 120.64 114.43 2k11 n GLU 125 Ca 0.02 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.33 2k11 n GLU 125 Cb 0.59 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 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 -7.16 -0.37 0.00 1.62 2.15 -1.26 -4.81 116.67 106.83 2k11 s ASP 126 Ca -0.36 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2k11 s ASP 126 Cb 0.12 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2k11 s ASP 126 CO 0.55 -0.88 0.45 -0.24 -0.17 0.00 0.00 175.17 174.87