#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 11ba s GLU 2 N 0.00 4.66 0.64 1.64 2.12 -1.26 -5.01 118.70 121.49 11ba s GLU 2 Ca 0.00 1.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.88 11ba s GLU 2 Cb 0.00 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 11ba s GLU 2 CO 0.00 0.21 1.06 -1.54 -0.54 0.00 0.00 175.26 174.44 11ba s SER 3 N -0.53 5.62 0.56 -1.70 1.04 -1.26 -4.84 113.70 112.58 11ba s SER 3 Ca 0.46 1.71 0.25 0.00 0.48 0.00 0.00 55.95 58.84 11ba s SER 3 Cb -0.29 -2.51 1.51 0.00 0.10 0.00 0.00 66.02 64.82 11ba s SER 3 CO 0.36 -1.28 2.10 0.00 0.98 0.00 0.00 173.24 175.40 11ba h ALA 4 N -0.12 2.00 -0.02 5.32 0.00 -1.98 -0.63 119.26 123.84 11ba h ALA 4 Ca -0.45 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 11ba h ALA 4 Cb 1.21 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.03 11ba h ALA 4 CO 0.57 -0.28 -0.60 0.00 0.00 0.00 0.00 179.25 178.95 11ba h ALA 5 N 1.84 0.10 -0.49 0.00 0.00 -2.00 -2.27 119.26 116.44 11ba h ALA 5 Ca 0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 11ba h ALA 5 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 11ba h ALA 5 CO -0.00 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.45 11ba h ALA 6 N 0.35 0.78 -0.69 0.00 0.00 -1.81 -2.44 119.26 115.45 11ba h ALA 6 Ca -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.52 11ba h ALA 6 Cb 1.30 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 11ba h ALA 6 CO 0.12 0.66 0.46 -0.22 0.00 0.00 0.00 179.25 180.27 11ba h LYS 7 N 0.85 0.75 -0.29 0.00 3.64 -1.17 -0.37 116.57 119.98 11ba h LYS 7 Ca 0.12 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 11ba h LYS 7 Cb 0.72 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 11ba h LYS 7 CO 0.06 0.50 -0.51 0.35 -2.27 0.00 0.00 179.45 177.58 11ba h PHE 8 N 0.77 1.01 -0.47 1.91 3.04 -0.94 -1.47 116.94 120.78 11ba h PHE 8 Ca 0.29 -0.34 -0.06 0.00 3.98 0.00 0.00 57.97 61.83 11ba h PHE 8 Cb 0.16 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 11ba h PHE 8 CO -0.00 1.15 0.04 0.93 -2.02 0.00 0.00 178.31 178.41 11ba h GLU 9 N 0.63 0.81 -0.25 1.11 5.08 -1.01 0.62 114.58 121.58 11ba h GLU 9 Ca 0.02 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 11ba h GLU 9 Cb 1.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 11ba h GLU 9 CO 0.11 0.83 0.10 -0.09 -1.00 0.00 0.00 179.01 178.96 11ba h ARG 10 N 0.67 0.21 0.00 2.33 2.43 -1.07 -1.93 114.38 117.02 11ba h ARG 10 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 11ba h ARG 10 Cb 0.44 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 11ba h ARG 10 CO 0.02 0.14 -0.29 1.04 -1.51 0.00 0.00 179.97 179.36 11ba n GLN 11 N -5.02 0.10 0.00 0.20 6.02 -0.56 -4.49 117.38 113.63 11ba n GLN 11 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 11ba n GLN 11 Cb 0.08 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.75 11ba n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 11ba n HIS 12 N -1.75 0.00 -4.03 1.08 8.25 0.19 -5.06 115.22 113.90 11ba n HIS 12 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 11ba n HIS 12 Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 11ba n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 11ba s MET 13 N 0.00 3.91 -0.45 -0.41 -1.94 -0.73 -4.99 119.30 114.69 11ba s MET 13 Ca 0.00 -0.37 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 11ba s MET 13 Cb 0.00 -3.19 0.19 0.00 2.01 0.00 0.00 34.83 33.84 11ba s MET 13 CO 0.00 0.23 0.55 -3.47 -0.01 0.00 0.00 175.02 172.32 11ba n ASP 14 N 3.67 -1.65 -4.81 3.03 2.03 -1.26 -4.83 116.55 112.73 11ba n ASP 14 Ca -0.17 -2.70 -0.34 0.00 0.52 0.00 0.00 54.79 52.11 11ba n ASP 14 Cb 0.52 0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 41.34 11ba n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 11ba s SER 15 N -0.03 6.53 -1.17 1.67 0.01 -1.26 -3.48 113.70 115.97 11ba s SER 15 Ca 0.32 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.43 11ba s SER 15 Cb 0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.74 11ba s SER 15 CO -0.14 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.47 11ba n GLY 16 N -0.41 -0.32 3.07 3.44 0.00 -1.26 -4.94 105.19 104.78 11ba n GLY 16 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 11ba n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 11ba s ASN 17 N -2.04 1.18 0.10 1.61 2.47 -1.23 -5.16 114.94 111.88 11ba s ASN 17 Ca 0.00 -0.37 0.07 0.00 0.42 0.00 0.00 52.86 52.98 11ba s ASN 17 Cb 0.00 -0.07 -0.03 0.00 -1.45 0.00 0.00 41.25 39.70 11ba s ASN 17 CO 0.00 -0.01 -0.18 -0.55 -3.72 0.00 0.00 177.10 172.64 11ba s SER 18 N -0.93 2.32 0.48 -4.21 0.15 -1.26 -5.01 113.70 105.24 11ba s SER 18 Ca -0.01 -0.70 0.31 0.00 0.70 0.00 0.00 55.95 56.25 11ba s SER 18 Cb -0.07 -0.11 1.24 0.00 -1.71 0.00 0.00 66.02 65.36 11ba s SER 18 CO 0.01 -0.00 1.91 -0.65 1.20 0.00 0.00 173.24 175.70 11ba h PRO 19 N 3.97 0.00 -0.00 5.44 0.11 -2.01 -3.27 132.00 136.24 11ba h PRO 19 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 11ba h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 11ba h PRO 19 CO 0.42 0.00 -0.31 -1.13 -0.21 0.00 0.00 178.00 176.77 11ba n SER 20 N -2.91 0.62 -4.69 -2.05 3.41 -1.26 -4.86 113.62 101.88 11ba n SER 20 Ca 0.01 -0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 57.77 11ba n SER 20 Cb 0.30 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 11ba n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 11ba s SER 21 N -2.75 6.97 0.28 4.04 0.15 -1.24 -4.93 113.70 116.22 11ba s SER 21 Ca 0.19 1.18 0.25 0.00 0.70 0.00 0.00 55.95 58.27 11ba s SER 21 Cb 0.19 -2.43 0.71 0.00 -1.71 0.00 0.00 66.02 62.77 11ba s SER 21 CO 0.59 -0.24 1.74 0.77 1.20 0.00 0.00 173.24 177.29 11ba h SER 22 N 7.04 0.00 0.70 5.45 4.64 -1.94 -3.24 113.55 126.20 11ba h SER 22 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 11ba h SER 22 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 11ba h SER 22 CO 0.78 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 177.02 11ba h SER 23 N 0.00 0.00 0.15 4.97 0.02 -1.95 -2.83 113.55 113.90 11ba h SER 23 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 11ba h SER 23 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 11ba h SER 23 CO 0.00 0.00 -0.08 0.59 -1.14 0.00 0.00 176.83 176.20 11ba n ASN 24 N -2.60 0.85 -0.12 3.07 3.02 -1.22 -4.44 115.26 113.81 11ba n ASN 24 Ca 0.01 -1.03 -0.05 0.00 -0.03 0.00 0.00 54.58 53.48 11ba n ASN 24 Cb 0.22 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 11ba n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 11ba h TYR 25 N 1.21 -0.43 -0.60 3.10 3.20 -1.74 -1.54 116.97 120.17 11ba h TYR 25 Ca 0.00 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 11ba h TYR 25 Cb 0.37 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 11ba h TYR 25 CO 0.00 -0.26 0.04 0.00 -1.64 0.00 0.00 178.16 176.30 11ba h ASN 27 N 0.93 -0.38 0.19 0.00 2.35 -1.68 0.40 115.58 117.38 11ba h ASN 27 Ca 0.17 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 11ba h ASN 27 Cb 0.51 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 11ba h ASN 27 CO 0.02 -0.16 -0.60 -0.07 -1.65 0.00 0.00 177.43 174.98 11ba h LEU 28 N -0.12 0.46 -0.00 1.61 4.07 -1.05 -2.76 115.31 117.52 11ba h LEU 28 Ca 0.10 -0.26 -0.27 0.00 0.08 0.00 0.00 57.88 57.53 11ba h LEU 28 Cb 0.27 -0.13 0.02 0.00 1.08 0.00 0.00 40.66 41.90 11ba h LEU 28 CO -0.24 0.95 -1.06 0.24 -1.08 0.00 0.00 178.44 177.25 11ba h MET 29 N 0.31 0.68 -0.83 1.13 2.86 -0.42 0.41 114.93 119.06 11ba h MET 29 Ca -0.00 -0.74 0.02 0.00 -2.06 0.00 0.00 59.70 56.91 11ba h MET 29 Cb 1.13 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 11ba h MET 29 CO 0.10 1.32 0.55 0.52 1.06 0.00 0.00 176.91 180.46 11ba h MET 30 N 0.37 1.05 0.09 1.72 2.86 -0.29 0.16 114.93 120.90 11ba h MET 30 Ca -0.13 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 11ba h MET 30 Cb 1.71 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.14 11ba h MET 30 CO 0.21 0.69 -0.04 0.00 1.06 0.00 0.00 176.91 178.82 11ba n ARG 33 N -4.72 1.46 -2.56 0.00 5.12 0.53 -4.91 116.66 111.59 11ba n ARG 33 Ca 0.11 -0.71 -0.09 0.00 -1.93 0.00 0.00 57.85 55.24 11ba n ARG 33 Cb 0.21 -1.29 0.01 0.00 -1.16 0.00 0.00 32.46 30.24 11ba n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 11ba n LYS 34 N -0.02 -1.91 -0.43 5.56 5.02 -0.79 -4.93 118.16 120.65 11ba n LYS 34 Ca 0.12 0.35 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 11ba n LYS 34 Cb 0.21 -4.05 0.26 0.00 -0.02 0.00 0.00 35.03 31.43 11ba n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 11ba n MET 35 N -2.01 3.22 -0.19 1.97 2.81 -0.58 -4.22 117.12 118.11 11ba n MET 35 Ca -0.04 -2.65 0.06 0.00 -1.81 0.00 0.00 57.70 53.26 11ba n MET 35 Cb 0.55 -1.72 0.15 0.00 -0.71 0.00 0.00 33.22 31.48 11ba n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 11ba n THR 36 N 0.19 1.53 -3.53 2.03 -2.24 -1.23 -1.76 114.28 109.27 11ba n THR 36 Ca 0.20 -1.49 -0.39 0.00 -2.27 0.00 0.00 64.05 60.10 11ba n THR 36 Cb 0.78 0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 11ba n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 11ba s GLN 37 N -1.87 3.78 0.00 -0.78 -0.21 -1.26 -4.31 119.66 115.00 11ba s GLN 37 Ca 0.25 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.24 11ba s GLN 37 Cb 0.19 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.48 11ba s GLN 37 CO 0.08 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.36 11ba n GLY 38 N 5.03 2.45 3.57 3.09 0.00 -1.26 -4.89 105.19 113.18 11ba n GLY 38 Ca -0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 11ba n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 11ba s LYS 39 N 0.00 0.96 -0.19 1.61 2.20 -1.26 -5.11 119.74 117.94 11ba s LYS 39 Ca 0.00 -0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 54.99 11ba s LYS 39 Cb 0.00 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 11ba s LYS 39 CO 0.00 -0.42 0.62 0.00 -0.36 0.00 0.00 175.35 175.18 11ba s LYS 41 N 1.83 4.27 0.15 0.00 2.20 -0.72 -4.92 119.74 122.54 11ba s LYS 41 Ca 0.28 2.01 -0.16 0.00 -0.36 0.00 0.00 55.97 57.74 11ba s LYS 41 Cb -0.16 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 11ba s LYS 41 CO 0.10 -0.60 1.76 -1.35 -0.36 0.00 0.00 175.35 174.90 11ba h PRO 42 N 7.94 0.58 -3.95 4.03 0.10 -1.92 -3.43 132.00 135.35 11ba h PRO 42 Ca -0.38 -0.06 -0.39 0.00 0.10 0.00 0.00 66.00 65.27 11ba h PRO 42 Cb 1.18 -0.11 -0.34 0.00 0.10 0.00 0.00 31.00 31.83 11ba h PRO 42 CO 0.91 0.46 -0.76 0.08 0.10 0.00 0.00 178.00 178.78 11ba s VAL 43 N -5.88 0.43 -0.20 3.15 1.01 -1.26 -0.36 120.40 117.30 11ba s VAL 43 Ca -0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 11ba s VAL 43 Cb 0.11 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 36.07 11ba s VAL 43 CO 0.74 0.20 0.51 0.21 0.00 0.00 0.00 175.10 176.76 11ba s ASN 44 N 0.89 -0.60 -0.12 3.32 2.47 0.01 -5.02 114.94 115.89 11ba s ASN 44 Ca -0.11 1.07 -0.03 0.00 0.42 0.00 0.00 52.86 54.22 11ba s ASN 44 Cb -0.14 1.03 -0.03 0.00 -1.45 0.00 0.00 41.25 40.65 11ba s ASN 44 CO -0.00 -0.19 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.27 11ba s THR 45 N 0.83 4.09 -0.08 -5.21 2.01 -1.26 -0.49 115.64 115.52 11ba s THR 45 Ca -0.04 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 11ba s THR 45 Cb -0.05 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 11ba s THR 45 CO -0.07 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.08 11ba s PHE 46 N -0.22 3.26 -0.16 4.92 0.08 0.20 -4.94 117.98 121.11 11ba s PHE 46 Ca 0.05 0.27 -0.04 0.00 0.12 0.00 0.00 56.93 57.32 11ba s PHE 46 Cb -0.13 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 11ba s PHE 46 CO 0.02 0.53 -0.02 0.08 -0.10 0.00 0.00 175.22 175.74 11ba s VAL 47 N -0.94 4.05 -2.88 -0.44 1.01 -1.26 0.52 120.40 120.45 11ba s VAL 47 Ca 0.14 -0.30 0.24 0.00 0.00 0.00 0.00 61.98 62.06 11ba s VAL 47 Cb -0.12 -2.79 0.24 0.00 0.00 0.00 0.00 36.38 33.72 11ba s VAL 47 CO 0.04 0.48 1.29 1.41 0.00 0.00 0.00 175.10 178.32 11ba n HIS 48 N 3.58 0.11 -1.56 5.22 -0.00 -0.01 -4.95 115.22 117.61 11ba n HIS 48 Ca -0.17 -0.06 -0.31 0.00 -0.00 0.00 0.00 57.72 57.18 11ba n HIS 48 Cb 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.57 11ba n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 11ba s GLU 49 N -1.89 2.75 0.85 -0.41 0.41 -1.26 -4.99 118.70 114.16 11ba s GLU 49 Ca 0.31 0.90 -0.13 0.00 -0.41 0.00 0.00 54.97 55.63 11ba s GLU 49 Cb 0.21 -1.97 0.08 0.00 -1.78 0.00 0.00 34.13 30.66 11ba s GLU 49 CO 0.30 -1.22 0.99 -1.13 -0.49 0.00 0.00 175.26 173.71 11ba n SER 50 N -3.20 0.12 0.05 -0.19 3.41 -1.26 -4.87 113.62 107.69 11ba n SER 50 Ca 0.07 0.51 0.04 0.00 -0.26 0.00 0.00 58.87 59.23 11ba n SER 50 Cb 0.54 -1.42 0.43 0.00 -0.26 0.00 0.00 64.21 63.50 11ba n SER 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 11ba h LEU 51 N -1.17 0.37 -0.42 1.04 5.85 -1.97 -2.54 115.31 116.47 11ba h LEU 51 Ca -0.45 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 11ba h LEU 51 Cb 1.30 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 11ba h LEU 51 CO 0.43 0.34 -0.24 0.00 -0.34 0.00 0.00 178.44 178.62 11ba h ALA 52 N 1.72 0.60 -0.37 1.25 0.00 -1.99 0.17 119.26 120.63 11ba h ALA 52 Ca 0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 11ba h ALA 52 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 11ba h ALA 52 CO -0.01 0.59 0.06 -0.44 0.00 0.00 0.00 179.25 179.45 11ba h ASP 53 N 0.73 0.51 0.65 0.00 3.32 -1.84 -2.39 116.42 117.41 11ba h ASP 53 Ca 0.09 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 11ba h ASP 53 Cb 0.82 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 11ba h ASP 53 CO 0.07 0.54 -1.18 0.58 -1.72 0.00 0.00 179.24 177.53 11ba h VAL 54 N 0.54 1.52 0.00 -1.35 2.07 -1.18 -3.02 116.25 114.83 11ba h VAL 54 Ca 0.12 -3.05 -0.07 0.00 0.82 0.00 0.00 66.70 64.53 11ba h VAL 54 Cb 0.26 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 11ba h VAL 54 CO 0.00 0.89 -0.31 0.11 0.02 0.00 0.00 177.57 178.28 11ba h LYS 55 N 0.08 0.00 0.00 1.57 1.57 -0.51 -2.78 116.57 116.50 11ba h LYS 55 Ca -0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 11ba h LYS 55 Cb 1.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 11ba h LYS 55 CO 0.19 0.31 -0.36 0.00 -0.57 0.00 0.00 179.45 179.02 11ba h ALA 56 N 1.69 1.23 -0.89 3.86 0.00 -1.30 -2.54 119.26 121.31 11ba h ALA 56 Ca -0.00 -0.33 0.26 0.00 0.00 0.00 0.00 54.91 54.84 11ba h ALA 56 Cb 0.65 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 11ba h ALA 56 CO 0.04 0.45 0.64 0.28 0.00 0.00 0.00 179.25 180.66 11ba h VAL 57 N 0.00 0.55 0.00 0.00 2.07 -1.47 0.17 116.25 117.57 11ba h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 11ba h VAL 57 Cb 0.71 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 11ba h VAL 57 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 11ba n SER 59 N -1.16 2.28 0.00 0.00 7.64 0.61 -5.03 113.62 117.96 11ba n SER 59 Ca 0.05 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.03 11ba n SER 59 Cb 0.04 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 11ba n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 11ba n GLN 60 N 0.00 2.12 -2.50 1.43 6.02 -0.39 -5.00 117.38 119.06 11ba n GLN 60 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 11ba n GLN 60 Cb 0.30 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.54 11ba n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 11ba s LYS 61 N 4.71 3.92 0.02 -1.09 2.20 -1.02 -4.85 119.74 123.63 11ba s LYS 61 Ca 0.00 1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 11ba s LYS 61 Cb 0.00 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 11ba s LYS 61 CO 0.00 -1.11 1.44 0.21 -0.36 0.00 0.00 175.35 175.53 11ba s LYS 62 N 4.09 4.27 0.19 4.03 2.20 -1.26 -0.14 119.74 133.11 11ba s LYS 62 Ca 0.52 2.03 0.02 0.00 -0.36 0.00 0.00 55.97 58.18 11ba s LYS 62 Cb -0.14 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 11ba s LYS 62 CO 0.22 -0.59 0.00 0.14 -0.36 0.00 0.00 175.35 174.77 11ba s VAL 63 N 2.31 0.74 0.21 4.02 -7.23 0.10 -4.91 120.40 115.64 11ba s VAL 63 Ca 0.65 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 11ba s VAL 63 Cb -0.33 -2.18 -0.08 0.00 0.56 0.00 0.00 36.38 34.34 11ba s VAL 63 CO 0.28 -0.43 0.77 -0.89 -0.31 0.00 0.00 175.10 174.52 11ba s THR 64 N -3.62 4.44 0.60 5.32 2.01 -1.26 -3.41 115.64 119.72 11ba s THR 64 Ca 0.25 1.53 -0.16 0.00 0.31 0.00 0.00 61.69 63.62 11ba s THR 64 Cb 0.06 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 11ba s THR 64 CO 0.05 0.34 1.07 0.00 -0.69 0.00 0.00 174.62 175.39 11ba h LYS 66 N 0.45 0.38 -0.25 0.00 1.79 -1.90 -0.07 116.57 116.96 11ba h LYS 66 Ca -0.47 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 11ba h LYS 66 Cb 1.23 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 11ba h LYS 66 CO 0.57 0.25 0.00 0.27 -1.08 0.00 0.00 179.45 179.46 11ba n ASN 67 N -4.54 1.62 0.00 0.86 0.23 -1.26 -4.89 115.26 107.28 11ba n ASN 67 Ca 0.22 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 11ba n ASN 67 Cb 0.79 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 11ba n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 11ba n GLY 68 N 1.04 0.77 3.81 4.83 0.00 -0.04 -5.05 105.19 110.55 11ba n GLY 68 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 11ba n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 11ba s GLN 69 N -0.62 2.20 0.00 1.61 -0.21 -1.26 -4.75 119.66 116.63 11ba s GLN 69 Ca 0.00 0.63 0.02 0.00 0.02 0.00 0.00 55.36 56.03 11ba s GLN 69 Cb 0.00 -1.93 0.06 0.00 1.00 0.00 0.00 33.01 32.14 11ba s GLN 69 CO 0.00 -1.54 1.01 0.25 -2.12 0.00 0.00 175.29 172.90 11ba n THR 70 N -3.38 0.92 -0.90 -0.19 -2.24 -1.26 0.15 114.28 107.39 11ba n THR 70 Ca 0.07 -0.96 -0.22 0.00 -2.27 0.00 0.00 64.05 60.67 11ba n THR 70 Cb 0.56 0.54 0.12 0.00 -2.10 0.00 0.00 70.33 69.46 11ba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 11ba n ASN 71 N -0.26 4.64 -4.82 3.42 6.94 -1.26 -4.79 115.26 119.14 11ba n ASN 71 Ca 0.02 -3.36 -0.30 0.00 -0.02 0.00 0.00 54.58 50.93 11ba n ASN 71 Cb 0.27 -0.84 -0.06 0.00 -2.36 0.00 0.00 39.78 36.79 11ba n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 11ba s TYR 73 N -1.47 0.83 0.02 0.00 1.51 -0.14 -0.72 117.35 117.38 11ba s TYR 73 Ca 0.31 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 56.08 11ba s TYR 73 Cb -0.12 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 11ba s TYR 73 CO 0.24 -0.14 0.29 -1.14 -1.11 0.00 0.00 175.55 173.69 11ba s GLN 74 N 0.48 3.60 0.32 -0.62 0.74 0.80 -1.66 119.66 123.32 11ba s GLN 74 Ca -0.07 -0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.02 11ba s GLN 74 Cb -0.11 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 30.85 11ba s GLN 74 CO 0.01 0.63 0.96 -1.54 -0.55 0.00 0.00 175.29 174.80 11ba s SER 75 N -1.76 7.30 0.14 6.67 1.04 -0.18 -2.42 113.70 124.47 11ba s SER 75 Ca 0.29 1.89 -0.12 0.00 0.48 0.00 0.00 55.95 58.49 11ba s SER 75 Cb -0.13 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 11ba s SER 75 CO 0.17 -0.10 1.50 0.11 0.98 0.00 0.00 173.24 175.90 11ba h LYS 76 N 3.21 0.88 -6.19 4.02 1.79 -1.95 -3.44 116.57 114.88 11ba h LYS 76 Ca -0.47 -0.40 -0.50 0.00 -2.18 0.00 0.00 60.65 57.10 11ba h LYS 76 Cb 1.20 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 11ba h LYS 76 CO 0.65 1.05 -0.51 -1.12 -1.08 0.00 0.00 179.45 178.44 11ba s SER 77 N -6.64 5.71 0.26 0.86 0.01 -1.26 -5.07 113.70 107.57 11ba s SER 77 Ca -0.12 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 11ba s SER 77 Cb 0.11 -1.51 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 11ba s SER 77 CO 0.85 -0.04 1.05 0.42 0.41 0.00 0.00 173.24 175.94 11ba s THR 78 N -2.07 3.67 0.21 1.44 -4.23 -1.26 -4.57 115.64 108.82 11ba s THR 78 Ca 0.33 1.67 0.11 0.00 -1.18 0.00 0.00 61.69 62.62 11ba s THR 78 Cb -0.08 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 11ba s THR 78 CO 0.26 0.39 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.49 11ba s MET 79 N -1.31 1.68 -0.28 3.99 -1.94 0.19 -4.81 119.30 116.82 11ba s MET 79 Ca 0.44 -1.51 -0.29 0.00 -1.71 0.00 0.00 55.69 52.62 11ba s MET 79 Cb -0.30 -1.91 0.01 0.00 2.01 0.00 0.00 34.83 34.64 11ba s MET 79 CO 0.38 0.39 1.16 1.03 -0.01 0.00 0.00 175.02 177.97 11ba s ARG 80 N -2.87 4.08 0.19 2.03 0.52 -1.26 -1.34 118.95 120.29 11ba s ARG 80 Ca 0.23 1.24 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 11ba s ARG 80 Cb -0.08 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 11ba s ARG 80 CO 0.12 -0.89 -0.04 0.96 0.02 0.00 0.00 175.30 175.47 11ba s ILE 81 N 3.75 1.00 -0.07 1.52 -4.36 -0.26 -0.83 121.20 121.97 11ba s ILE 81 Ca 0.49 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 11ba s ILE 81 Cb -0.15 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.45 11ba s ILE 81 CO 0.16 -0.51 -0.14 -0.89 0.24 0.00 0.00 174.94 173.80 11ba s THR 82 N -3.44 1.24 -0.18 8.37 2.01 0.18 -2.25 115.64 121.57 11ba s THR 82 Ca 0.23 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 11ba s THR 82 Cb 0.05 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 11ba s THR 82 CO 0.05 0.38 0.31 -1.81 -0.69 0.00 0.00 174.62 172.86 11ba s ASP 83 N 0.60 6.41 -0.33 3.53 1.01 0.16 0.61 116.67 128.65 11ba s ASP 83 Ca -0.15 0.47 -0.02 0.00 0.71 0.00 0.00 52.55 53.56 11ba s ASP 83 Cb -0.16 -2.19 0.06 0.00 1.01 0.00 0.00 42.92 41.64 11ba s ASP 83 CO 0.04 0.04 0.05 0.00 0.21 0.00 0.00 175.17 175.51 11ba s ARG 85 N 1.23 3.17 0.25 0.00 0.52 -1.12 -0.81 118.95 122.20 11ba s ARG 85 Ca -0.02 -0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 54.09 11ba s ARG 85 Cb -0.20 -2.48 -0.11 0.00 0.52 0.00 0.00 34.95 32.68 11ba s ARG 85 CO -0.02 0.13 1.63 -2.00 0.02 0.00 0.00 175.30 175.07 11ba s GLU 86 N 0.50 4.13 0.89 3.54 2.12 0.52 -0.48 118.70 129.92 11ba s GLU 86 Ca -0.12 2.56 -0.11 0.00 0.36 0.00 0.00 54.97 57.66 11ba s GLU 86 Cb -0.17 -3.05 0.18 0.00 0.26 0.00 0.00 34.13 31.35 11ba s GLU 86 CO 0.05 -0.67 1.22 0.95 -0.54 0.00 0.00 175.26 176.28 11ba s THR 87 N 0.51 2.03 0.08 -1.70 -4.23 -0.34 -4.82 115.64 107.16 11ba s THR 87 Ca 0.68 -0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.71 11ba s THR 87 Cb -0.48 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.37 11ba s THR 87 CO 0.41 0.00 1.68 1.23 -0.54 0.00 0.00 174.62 177.40 11ba h GLY 88 N -1.31 -0.45 1.38 3.99 0.00 -1.94 -3.03 103.07 101.72 11ba h GLY 88 Ca -0.41 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.08 11ba h GLY 88 CO 0.37 -0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.61 11ba n SER 89 N -5.27 0.00 -4.72 0.19 3.41 -1.26 -4.86 113.62 101.10 11ba n SER 89 Ca -0.10 -0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.06 11ba n SER 89 Cb 0.19 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 11ba n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 11ba s SER 90 N -2.38 7.31 -0.20 4.04 0.15 -1.15 -4.92 113.70 116.55 11ba s SER 90 Ca 0.13 1.90 -0.05 0.00 0.70 0.00 0.00 55.95 58.62 11ba s SER 90 Cb 0.08 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 11ba s SER 90 CO 0.16 -0.25 0.36 -0.75 1.20 0.00 0.00 173.24 173.96 11ba s LYS 91 N 0.36 0.28 0.27 5.44 2.20 -0.56 -4.93 119.74 122.80 11ba s LYS 91 Ca 0.51 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 11ba s LYS 91 Cb -0.26 -0.06 -0.14 0.00 -1.51 0.00 0.00 37.83 35.87 11ba s LYS 91 CO 0.31 -0.39 1.17 0.98 -0.36 0.00 0.00 175.35 177.05 11ba n TYR 92 N 5.37 1.63 -1.15 4.03 9.36 -1.26 0.22 117.16 135.37 11ba n TYR 92 Ca -0.06 0.62 -0.16 0.00 3.32 0.00 0.00 57.90 61.61 11ba n TYR 92 Cb 0.50 -2.33 0.24 0.00 -0.63 0.00 0.00 39.34 37.12 11ba n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 11ba n PRO 93 N 1.16 2.94 -2.93 2.98 -0.04 -1.26 -4.97 135.00 132.88 11ba n PRO 93 Ca 0.10 -3.05 -0.44 0.00 -0.04 0.00 0.00 63.50 60.07 11ba n PRO 93 Cb 0.31 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 11ba n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 11ba n ASN 94 N -0.69 5.37 -4.66 3.54 5.03 0.60 -5.00 115.26 119.45 11ba n ASN 94 Ca 0.52 -3.05 -0.43 0.00 0.87 0.00 0.00 54.58 52.49 11ba n ASN 94 Cb 1.56 -1.49 -0.02 0.00 -1.02 0.00 0.00 39.78 38.81 11ba n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 11ba s ALA 96 N 3.33 1.58 0.01 0.00 0.00 -1.26 -4.93 121.76 120.48 11ba s ALA 96 Ca 0.49 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 11ba s ALA 96 Cb -0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 11ba s ALA 96 CO 0.10 0.31 -0.01 0.71 0.00 0.00 0.00 175.76 176.88 11ba s TYR 97 N -1.03 0.12 0.09 0.00 2.02 -1.26 -1.20 117.35 116.08 11ba s TYR 97 Ca 0.04 -0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.30 11ba s TYR 97 Cb -0.09 -0.09 -0.07 0.00 -0.40 0.00 0.00 41.96 41.31 11ba s TYR 97 CO 0.03 -0.10 0.61 0.21 -1.57 0.00 0.00 175.55 174.73 11ba s LYS 98 N -0.72 4.28 -0.29 -0.62 2.20 0.36 -4.65 119.74 120.29 11ba s LYS 98 Ca -0.08 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 11ba s LYS 98 Cb -0.05 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 11ba s LYS 98 CO -0.00 0.61 0.18 0.99 -0.36 0.00 0.00 175.35 176.77 11ba s THR 99 N -1.07 5.12 -0.19 3.43 2.01 -1.26 -2.78 115.64 120.90 11ba s THR 99 Ca 0.30 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.31 11ba s THR 99 Cb -0.20 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.85 11ba s THR 99 CO 0.20 0.19 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.31 11ba s THR 100 N 1.72 1.73 -0.24 -0.82 2.01 -0.33 -4.98 115.64 114.73 11ba s THR 100 Ca 0.07 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 11ba s THR 100 Cb -0.16 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 11ba s THR 100 CO 0.10 0.27 0.23 -1.10 -0.69 0.00 0.00 174.62 173.43 11ba s GLN 101 N 1.38 4.07 0.09 4.92 -0.21 -1.26 0.35 119.66 129.00 11ba s GLN 101 Ca 0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 11ba s GLN 101 Cb -0.15 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 11ba s GLN 101 CO -0.09 -0.02 0.03 0.14 -2.12 0.00 0.00 175.29 173.23 11ba s VAL 102 N 1.29 0.16 -0.27 1.09 -7.23 -0.95 -5.03 120.40 109.46 11ba s VAL 102 Ca 0.10 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 11ba s VAL 102 Cb -0.14 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.07 11ba s VAL 102 CO 0.07 -0.71 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.41 11ba s GLU 103 N -3.98 2.76 0.25 4.82 2.12 -1.26 -1.10 118.70 122.32 11ba s GLU 103 Ca 0.15 -1.03 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 11ba s GLU 103 Cb 0.07 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 11ba s GLU 103 CO -0.04 -0.46 0.38 0.15 -0.54 0.00 0.00 175.26 174.75 11ba s LYS 104 N 1.33 1.51 0.37 4.30 1.02 -0.45 -4.78 119.74 123.03 11ba s LYS 104 Ca -0.01 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.29 11ba s LYS 104 Cb -0.17 0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 37.44 11ba s LYS 104 CO -0.03 -0.59 0.97 -1.01 -0.92 0.00 0.00 175.35 173.76 11ba s HIS 105 N -3.90 3.51 0.16 3.18 3.76 -0.49 0.55 115.29 122.05 11ba s HIS 105 Ca 0.29 1.71 0.06 0.00 -0.15 0.00 0.00 55.06 56.97 11ba s HIS 105 Cb 0.02 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 11ba s HIS 105 CO 0.12 -0.05 0.03 0.96 -0.85 0.00 0.00 174.74 174.95 11ba s ILE 106 N -1.76 3.97 -0.11 0.60 -4.36 -1.26 -1.14 121.20 117.13 11ba s ILE 106 Ca 0.55 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.72 11ba s ILE 106 Cb -0.17 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.56 11ba s ILE 106 CO 0.22 -0.07 -0.23 -0.63 0.24 0.00 0.00 174.94 174.48 11ba s ILE 107 N -1.65 1.98 0.17 8.37 1.01 0.11 -1.02 121.20 130.16 11ba s ILE 107 Ca 0.28 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 60.05 11ba s ILE 107 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 11ba s ILE 107 CO 0.20 0.54 -0.18 0.68 0.00 0.00 0.00 174.94 176.18 11ba s VAL 108 N 0.48 1.80 0.19 2.92 -7.23 -0.67 -0.99 120.40 116.91 11ba s VAL 108 Ca -0.16 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 11ba s VAL 108 Cb -0.17 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 11ba s VAL 108 CO 0.06 -0.33 0.42 0.00 -0.31 0.00 0.00 175.10 174.95 11ba s ALA 109 N -2.09 3.75 0.11 1.32 0.00 0.45 -0.97 121.76 124.32 11ba s ALA 109 Ca 0.16 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.61 11ba s ALA 109 Cb -0.05 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 11ba s ALA 109 CO 0.07 0.55 -0.16 0.00 0.00 0.00 0.00 175.76 176.21 11ba s GLY 111 N -2.12 -0.34 0.00 0.00 0.00 -0.28 -4.87 107.32 99.71 11ba s GLY 111 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.29 11ba s GLY 111 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.84 11ba n GLY 112 N -0.46 -2.59 2.64 0.20 0.00 -1.26 -1.83 105.19 101.89 11ba n GLY 112 Ca -0.07 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 11ba n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 11ba s LYS 113 N -0.70 0.34 0.48 1.61 2.20 -1.26 -2.41 119.74 120.00 11ba s LYS 113 Ca 0.00 -0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 55.00 11ba s LYS 113 Cb 0.00 -1.75 -0.09 0.00 -1.51 0.00 0.00 37.83 34.48 11ba s LYS 113 CO 0.00 -0.79 0.99 -1.25 -0.36 0.00 0.00 175.35 173.94 11ba s PRO 114 N 1.99 3.95 -0.22 4.03 0.04 -1.26 -5.10 135.00 138.43 11ba s PRO 114 Ca 0.04 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 11ba s PRO 114 Cb -0.16 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 11ba s PRO 114 CO -0.18 -0.28 2.20 0.45 0.04 0.00 0.00 177.00 179.24 11ba n SER 115 N -1.06 3.16 -4.42 6.66 2.88 -1.01 -4.88 113.62 114.94 11ba n SER 115 Ca 0.08 0.28 -0.21 0.00 -1.33 0.00 0.00 58.87 57.69 11ba n SER 115 Cb 0.53 -1.51 -0.11 0.00 -0.75 0.00 0.00 64.21 62.38 11ba n SER 115 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 11ba s VAL 116 N 7.94 1.08 0.26 2.46 -7.23 -0.76 -4.76 120.40 119.38 11ba s VAL 116 Ca 1.01 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 11ba s VAL 116 Cb -0.42 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 11ba s VAL 116 CO 0.38 0.00 1.42 -2.84 -0.31 0.00 0.00 175.10 173.74 11ba s PRO 117 N -3.91 4.28 0.00 4.82 0.02 -1.26 -1.12 135.00 137.83 11ba s PRO 117 Ca 0.37 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.66 11ba s PRO 117 Cb 0.09 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.50 11ba s PRO 117 CO 0.15 -0.38 0.27 1.33 -0.33 0.00 0.00 177.00 178.04 11ba n VAL 118 N 2.14 0.07 -3.64 3.83 0.24 -0.32 -4.88 118.33 115.77 11ba n VAL 118 Ca 0.06 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.34 62.10 11ba n VAL 118 Cb 0.41 1.49 -0.07 0.00 -1.47 0.00 0.00 33.84 34.20 11ba n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 11ba s HIS 119 N -0.07 -0.42 -0.32 6.34 5.65 -1.22 -4.95 115.29 120.30 11ba s HIS 119 Ca 0.00 0.91 -0.18 0.00 0.25 0.00 0.00 55.06 56.04 11ba s HIS 119 Cb 0.00 0.34 -0.01 0.00 -1.18 0.00 0.00 32.58 31.73 11ba s HIS 119 CO 0.00 -0.20 0.51 0.12 -0.65 0.00 0.00 174.74 174.52 11ba s PHE 120 N 0.75 3.20 -0.14 3.88 2.19 -1.26 -0.41 117.98 126.19 11ba s PHE 120 Ca -0.03 0.33 -0.03 0.00 0.33 0.00 0.00 56.93 57.54 11ba s PHE 120 Cb -0.04 -2.86 -0.24 0.00 -1.31 0.00 0.00 43.02 38.56 11ba s PHE 120 CO -0.12 -0.46 0.27 -3.47 1.83 0.00 0.00 175.22 173.28 11ba n ASP 121 N 5.68 1.93 0.00 6.13 2.03 -0.16 -4.95 116.55 127.21 11ba n ASP 121 Ca -0.05 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.42 11ba n ASP 121 Cb 0.49 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 11ba n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 11ba n ALA 122 N -3.00 0.00 -2.83 -1.67 0.00 -1.13 -4.90 120.51 106.98 11ba n ALA 122 Ca -0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 11ba n ALA 122 Cb 1.04 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.37 11ba n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 11ba s SER 123 N 0.00 0.92 0.00 0.00 1.04 -1.26 -0.72 113.70 113.68 11ba s SER 123 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 11ba s SER 123 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 11ba s SER 123 CO 0.00 -0.16 0.08 1.33 0.98 0.00 0.00 173.24 175.47