#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y94 n GLU 2 N 0.00 0.65 -2.32 1.64 2.13 -1.26 -4.96 120.64 116.53 1y94 n GLU 2 Ca 0.00 0.23 -0.32 0.00 0.66 0.00 0.00 57.16 57.73 1y94 n GLU 2 Cb 0.00 -1.55 -0.02 0.00 0.27 0.00 0.00 31.44 30.14 1y94 n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1y94 s SER 3 N -0.42 6.39 0.21 4.31 1.04 -1.26 -4.87 113.70 119.11 1y94 s SER 3 Ca 0.70 1.65 -0.09 0.00 0.48 0.00 0.00 55.95 58.69 1y94 s SER 3 Cb -0.91 -2.52 0.27 0.00 0.10 0.00 0.00 66.02 62.95 1y94 s SER 3 CO 0.56 -0.75 1.77 0.00 0.98 0.00 0.00 173.24 175.80 1y94 h ALA 4 N 0.83 0.84 -0.51 5.32 0.00 -1.99 0.23 119.26 123.97 1y94 h ALA 4 Ca -0.47 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1y94 h ALA 4 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1y94 h ALA 4 CO 0.60 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 180.03 1y94 h ALA 5 N 1.39 0.66 -0.31 0.00 0.00 -2.00 -1.86 119.26 117.13 1y94 h ALA 5 Ca 0.30 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1y94 h ALA 5 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y94 h ALA 5 CO -0.25 -0.07 -0.31 0.00 0.00 0.00 0.00 179.25 178.62 1y94 h ALA 6 N 1.27 0.88 -0.65 0.00 0.00 -1.73 -2.65 119.26 116.38 1y94 h ALA 6 Ca 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1y94 h ALA 6 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1y94 h ALA 6 CO -0.15 0.63 0.26 -0.22 0.00 0.00 0.00 179.25 179.77 1y94 h LYS 7 N 0.56 0.98 -0.60 0.00 3.64 -0.59 -1.59 116.57 118.96 1y94 h LYS 7 Ca 0.07 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1y94 h LYS 7 Cb 0.81 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1y94 h LYS 7 CO 0.07 0.82 0.34 0.35 -2.27 0.00 0.00 179.45 178.76 1y94 h PHE 8 N 0.92 0.81 -0.51 1.91 3.04 -1.20 -0.60 116.94 121.32 1y94 h PHE 8 Ca 0.22 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1y94 h PHE 8 Cb 0.21 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1y94 h PHE 8 CO 0.01 0.57 0.33 0.93 -2.02 0.00 0.00 178.31 178.14 1y94 h GLU 9 N 0.81 0.68 -0.17 1.11 5.08 -1.08 0.41 114.58 121.42 1y94 h GLU 9 Ca 0.21 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1y94 h GLU 9 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1y94 h GLU 9 CO -0.04 0.46 0.03 -0.09 -1.00 0.00 0.00 179.01 178.37 1y94 h ARG 10 N 0.69 0.28 0.00 2.33 2.43 -1.05 -0.48 114.38 118.58 1y94 h ARG 10 Ca 0.19 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1y94 h ARG 10 Cb -0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1y94 h ARG 10 CO -0.04 0.44 -0.77 1.96 -1.51 0.00 0.00 179.97 180.05 1y94 h GLN 11 N 0.08 0.00 0.00 0.20 4.20 -1.01 -3.40 115.11 115.17 1y94 h GLN 11 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1y94 h GLN 11 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1y94 h GLN 11 CO 0.00 0.77 0.00 0.72 -0.67 0.00 0.00 178.83 179.65 1y94 n HIS 12 N -3.44 0.00 -4.61 2.96 8.25 0.14 -5.04 115.22 113.48 1y94 n HIS 12 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1y94 n HIS 12 Cb 0.79 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.77 1y94 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1y94 s MET 13 N -0.08 3.44 -0.42 -0.41 -1.94 -0.19 -4.99 119.30 114.72 1y94 s MET 13 Ca 0.00 -0.61 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 1y94 s MET 13 Cb 0.00 -2.74 0.29 0.00 2.01 0.00 0.00 34.83 34.39 1y94 s MET 13 CO 0.00 0.27 0.77 -3.47 -0.01 0.00 0.00 175.02 172.58 1y94 n ASP 14 N 3.40 -0.78 0.03 3.03 2.03 -1.26 -4.81 116.55 118.19 1y94 n ASP 14 Ca -0.18 -3.11 0.04 0.00 0.52 0.00 0.00 54.79 52.07 1y94 n ASP 14 Cb 0.53 0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 41.23 1y94 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1y94 n SER 15 N 0.95 0.63 -3.97 1.67 3.41 -1.26 -4.57 113.62 110.48 1y94 n SER 15 Ca 0.17 0.26 -0.39 0.00 -0.26 0.00 0.00 58.87 58.65 1y94 n SER 15 Cb 0.62 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 1y94 n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y94 n SER 16 N -2.71 5.34 0.00 4.04 7.64 -1.26 -4.95 113.62 121.72 1y94 n SER 16 Ca -0.08 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1y94 n SER 16 Cb 0.75 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1y94 n SER 16 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1y94 n THR 17 N 1.65 0.00 -0.05 0.44 -1.04 -1.26 -4.97 114.28 109.04 1y94 n THR 17 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1y94 n THR 17 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1y94 n THR 17 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1y94 n SER 18 N 0.00 3.46 0.00 8.00 3.41 -1.26 -4.87 113.62 122.36 1y94 n SER 18 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1y94 n SER 18 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1y94 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y94 n ALA 19 N 1.34 0.00 0.87 7.33 0.00 -1.26 -0.11 120.51 128.68 1y94 n ALA 19 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1y94 n ALA 19 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 1y94 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y94 n ALA 20 N 2.78 2.70 -1.82 0.00 0.00 -1.26 -4.76 120.51 118.15 1y94 n ALA 20 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 1y94 n ALA 20 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1y94 n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y94 s SER 21 N -0.51 6.34 0.48 0.00 0.15 0.84 -4.95 113.70 116.05 1y94 s SER 21 Ca 0.13 1.53 0.25 0.00 0.70 0.00 0.00 55.95 58.57 1y94 s SER 21 Cb 0.09 -2.49 1.20 0.00 -1.71 0.00 0.00 66.02 63.10 1y94 s SER 21 CO 0.06 -0.79 1.96 -1.28 1.20 0.00 0.00 173.24 174.39 1y94 h SER 22 N 0.31 0.00 0.44 5.45 0.87 -1.91 -1.95 113.55 116.76 1y94 h SER 22 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1y94 h SER 22 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1y94 h SER 22 CO 0.61 0.18 0.00 0.28 -0.53 0.00 0.00 176.83 177.37 1y94 h SER 23 N 0.00 0.00 0.16 6.23 0.02 -1.92 -2.75 113.55 115.29 1y94 h SER 23 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y94 h SER 23 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1y94 h SER 23 CO 0.02 0.00 -0.47 -3.20 -1.14 0.00 0.00 176.83 172.04 1y94 n ASN 24 N -2.87 1.28 -0.20 3.07 5.15 -0.73 -4.35 115.26 116.61 1y94 n ASN 24 Ca -0.01 -1.02 -0.08 0.00 -0.60 0.00 0.00 54.58 52.87 1y94 n ASN 24 Cb 0.16 0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.78 1y94 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1y94 h TYR 25 N 1.27 -1.19 -0.74 1.20 3.20 -1.59 -2.34 116.97 116.78 1y94 h TYR 25 Ca 0.00 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1y94 h TYR 25 Cb 0.59 0.60 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1y94 h TYR 25 CO 0.00 -0.41 0.49 0.00 -1.64 0.00 0.00 178.16 176.59 1y94 h ASN 27 N 0.99 0.77 -0.09 0.00 2.35 -1.72 0.14 115.58 118.02 1y94 h ASN 27 Ca 0.28 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.78 1y94 h ASN 27 Cb -0.10 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.08 1y94 h ASN 27 CO -0.07 0.57 -0.75 -0.07 -1.65 0.00 0.00 177.43 175.46 1y94 h LEU 28 N 0.91 0.87 -0.21 1.61 3.38 -1.08 -2.98 115.31 117.82 1y94 h LEU 28 Ca 0.24 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1y94 h LEU 28 Cb -0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1y94 h LEU 28 CO -0.05 1.35 -0.34 0.24 0.09 0.00 0.00 178.44 179.73 1y94 h MET 29 N 0.51 0.59 -0.41 1.13 2.86 -0.53 0.13 114.93 119.21 1y94 h MET 29 Ca -0.04 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1y94 h MET 29 Cb 1.37 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.05 1y94 h MET 29 CO 0.15 0.97 0.18 0.52 1.06 0.00 0.00 176.91 179.79 1y94 h MET 30 N 0.27 0.58 -0.02 1.72 2.86 -0.83 0.13 114.93 119.64 1y94 h MET 30 Ca 0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1y94 h MET 30 Cb 0.93 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1y94 h MET 30 CO 0.08 0.47 -0.09 0.00 1.06 0.00 0.00 176.91 178.42 1y94 n ARG 33 N -4.27 2.18 -3.70 0.00 5.12 0.43 -4.93 116.66 111.48 1y94 n ARG 33 Ca 0.06 -1.10 -0.26 0.00 -1.93 0.00 0.00 57.85 54.62 1y94 n ARG 33 Cb 0.20 -1.60 0.03 0.00 -1.16 0.00 0.00 32.46 29.93 1y94 n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1y94 n LYS 34 N 0.25 -2.71 -0.23 5.56 4.01 -0.91 -4.91 118.16 119.21 1y94 n LYS 34 Ca 0.10 0.53 0.08 0.00 -0.51 0.00 0.00 58.31 58.50 1y94 n LYS 34 Cb 0.48 -4.63 0.18 0.00 -0.51 0.00 0.00 35.03 30.55 1y94 n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1y94 n MET 35 N -4.17 2.30 -2.54 1.97 2.81 0.40 -4.57 117.12 113.33 1y94 n MET 35 Ca -0.19 -2.54 -0.14 0.00 -1.81 0.00 0.00 57.70 53.02 1y94 n MET 35 Cb 0.64 -1.58 0.03 0.00 -0.71 0.00 0.00 33.22 31.59 1y94 n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1y94 n THR 36 N -0.76 1.70 -4.06 2.03 -2.24 -1.24 -0.93 114.28 108.78 1y94 n THR 36 Ca 0.16 -3.70 -0.33 0.00 -2.27 0.00 0.00 64.05 57.92 1y94 n THR 36 Cb 0.69 0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 1y94 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1y94 s GLN 37 N -3.49 2.71 0.00 -0.78 -0.21 -1.26 -4.62 119.66 112.00 1y94 s GLN 37 Ca 0.37 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1y94 s GLN 37 Cb 0.40 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1y94 s GLN 37 CO -0.04 -0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1y94 n GLY 38 N 4.57 2.99 3.62 3.09 0.00 -1.26 -4.85 105.19 113.35 1y94 n GLY 38 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1y94 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y94 s LYS 39 N -0.15 0.30 -0.18 1.61 2.36 -1.26 -5.10 119.74 117.32 1y94 s LYS 39 Ca 0.00 0.12 -0.21 0.00 -2.55 0.00 0.00 55.97 53.33 1y94 s LYS 39 Cb 0.00 0.14 -0.03 0.00 -1.05 0.00 0.00 37.83 36.90 1y94 s LYS 39 CO 0.00 -0.09 0.61 0.00 1.55 0.00 0.00 175.35 177.43 1y94 s LYS 41 N 1.70 3.96 0.26 0.00 2.20 -0.10 -4.88 119.74 122.88 1y94 s LYS 41 Ca 0.29 2.13 -0.02 0.00 -0.36 0.00 0.00 55.97 58.01 1y94 s LYS 41 Cb -0.16 -4.08 0.43 0.00 -1.51 0.00 0.00 37.83 32.51 1y94 s LYS 41 CO 0.11 -1.12 1.86 -1.00 -0.36 0.00 0.00 175.35 174.84 1y94 h PRO 42 N 10.66 1.03 -3.76 4.03 0.13 -1.93 -3.43 132.00 138.72 1y94 h PRO 42 Ca -0.40 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1y94 h PRO 42 Cb 1.19 -0.23 -0.28 0.00 0.13 0.00 0.00 31.00 31.80 1y94 h PRO 42 CO 0.96 0.68 -0.72 0.08 -0.23 0.00 0.00 178.00 178.77 1y94 s VAL 43 N -6.02 0.03 -0.20 1.56 1.01 -1.26 -0.51 120.40 115.00 1y94 s VAL 43 Ca -0.12 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 1y94 s VAL 43 Cb 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 36.38 36.60 1y94 s VAL 43 CO 0.81 0.02 0.64 0.21 0.00 0.00 0.00 175.10 176.77 1y94 s ASN 44 N 0.07 -0.65 -0.06 3.32 2.47 -0.20 -5.01 114.94 114.87 1y94 s ASN 44 Ca -0.01 1.15 0.03 0.00 0.42 0.00 0.00 52.86 54.46 1y94 s ASN 44 Cb -0.01 1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 40.91 1y94 s ASN 44 CO -0.00 -0.30 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.03 1y94 s THR 45 N -0.00 2.91 -0.07 -5.21 2.01 -1.26 -0.09 115.64 113.93 1y94 s THR 45 Ca -0.03 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1y94 s THR 45 Cb -0.04 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1y94 s THR 45 CO 0.03 0.58 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.04 1y94 s PHE 46 N -0.47 2.74 -0.16 4.92 0.08 0.01 -4.96 117.98 120.14 1y94 s PHE 46 Ca 0.06 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1y94 s PHE 46 Cb -0.12 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1y94 s PHE 46 CO 0.02 0.13 0.01 0.08 -0.10 0.00 0.00 175.22 175.36 1y94 s VAL 47 N -0.54 4.37 -1.77 -0.44 1.01 -1.26 -0.69 120.40 121.07 1y94 s VAL 47 Ca 0.07 -0.19 0.24 0.00 0.00 0.00 0.00 61.98 62.10 1y94 s VAL 47 Cb -0.12 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.37 1y94 s VAL 47 CO 0.01 0.48 1.22 1.41 0.00 0.00 0.00 175.10 178.22 1y94 n HIS 48 N 3.45 0.00 -1.26 5.22 -0.00 -0.51 -4.94 115.22 117.17 1y94 n HIS 48 Ca -0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.25 1y94 n HIS 48 Cb 0.52 -0.05 0.22 0.00 -0.00 0.00 0.00 29.99 30.68 1y94 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1y94 s GLU 49 N -2.58 -0.58 0.59 -0.41 0.41 -1.26 -5.00 118.70 109.86 1y94 s GLU 49 Ca 0.18 -0.03 -0.16 0.00 -0.41 0.00 0.00 54.97 54.55 1y94 s GLU 49 Cb 0.18 -1.67 -0.04 0.00 -1.78 0.00 0.00 34.13 30.82 1y94 s GLU 49 CO 0.60 -3.29 1.06 -1.54 -0.49 0.00 0.00 175.26 171.60 1y94 s SER 50 N -4.01 5.78 0.21 -0.19 1.04 -1.26 -4.88 113.70 110.38 1y94 s SER 50 Ca 0.70 1.86 -0.09 0.00 0.48 0.00 0.00 55.95 58.91 1y94 s SER 50 Cb -0.10 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.75 1y94 s SER 50 CO 0.56 -1.17 1.78 0.25 0.98 0.00 0.00 173.24 175.63 1y94 h LEU 51 N 0.56 0.40 -0.26 2.42 5.85 -1.97 -1.15 115.31 121.17 1y94 h LEU 51 Ca -0.47 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1y94 h LEU 51 Cb 1.22 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1y94 h LEU 51 CO 0.57 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1y94 h ALA 52 N 1.39 0.23 -0.64 1.25 0.00 -1.98 0.23 119.26 119.73 1y94 h ALA 52 Ca 0.31 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1y94 h ALA 52 Cb 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1y94 h ALA 52 CO -0.24 -0.42 0.40 -0.44 0.00 0.00 0.00 179.25 178.55 1y94 h ASP 53 N 0.08 0.65 -0.37 0.00 5.19 -1.68 0.13 116.42 120.42 1y94 h ASP 53 Ca 0.12 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1y94 h ASP 53 Cb 0.16 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1y94 h ASP 53 CO -0.21 0.45 -0.05 0.58 -3.12 0.00 0.00 179.24 176.89 1y94 h VAL 54 N 0.78 1.27 -0.88 -1.35 2.07 -0.77 -2.68 116.25 114.70 1y94 h VAL 54 Ca 0.26 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1y94 h VAL 54 Cb 0.02 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1y94 h VAL 54 CO -0.10 0.36 0.56 0.11 0.02 0.00 0.00 177.57 178.52 1y94 h LYS 55 N 0.49 1.02 0.00 1.57 1.57 -0.19 -1.15 116.57 119.88 1y94 h LYS 55 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1y94 h LYS 55 Cb 0.55 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1y94 h LYS 55 CO 0.03 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 1y94 n ALA 56 N -2.35 1.07 0.20 3.86 0.00 0.41 -1.24 120.51 122.45 1y94 n ALA 56 Ca 0.12 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.80 1y94 n ALA 56 Cb 0.13 -1.33 0.40 0.00 0.00 0.00 0.00 19.45 18.65 1y94 n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y94 h VAL 57 N 0.00 1.22 0.00 0.00 2.07 -1.08 -2.55 116.25 115.91 1y94 h VAL 57 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1y94 h VAL 57 Cb 0.01 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1y94 h VAL 57 CO 0.00 0.32 0.04 0.00 0.02 0.00 0.00 177.57 177.94 1y94 n SER 59 N -1.88 3.64 0.00 0.00 3.41 -0.96 -5.00 113.62 112.83 1y94 n SER 59 Ca -0.01 -3.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1y94 n SER 59 Cb 0.05 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1y94 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y94 n GLN 60 N -0.73 1.20 -2.59 4.33 6.02 -0.59 -5.07 117.38 119.94 1y94 n GLN 60 Ca 0.32 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.88 1y94 n GLN 60 Cb 0.90 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.13 1y94 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1y94 s LYS 61 N 4.40 4.30 0.25 -1.09 2.20 -1.15 -4.89 119.74 123.76 1y94 s LYS 61 Ca 0.00 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.78 1y94 s LYS 61 Cb 0.00 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1y94 s LYS 61 CO 0.00 -0.55 1.11 0.15 -0.36 0.00 0.00 175.35 175.70 1y94 s LYS 62 N 2.87 4.61 0.16 4.03 -0.14 -1.26 -0.11 119.74 129.89 1y94 s LYS 62 Ca 0.49 1.80 -0.08 0.00 -1.36 0.00 0.00 55.97 56.82 1y94 s LYS 62 Cb -0.18 -3.21 -0.01 0.00 -1.68 0.00 0.00 37.83 32.75 1y94 s LYS 62 CO 0.12 0.16 0.25 0.14 -0.76 0.00 0.00 175.35 175.26 1y94 s VAL 63 N -0.90 0.07 0.45 3.17 -7.23 -0.74 -4.87 120.40 110.36 1y94 s VAL 63 Ca 0.46 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 1y94 s VAL 63 Cb -0.32 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 1y94 s VAL 63 CO 0.40 -0.34 0.87 -0.89 -0.31 0.00 0.00 175.10 174.82 1y94 s THR 64 N -3.97 4.67 0.60 5.32 2.01 -1.26 -3.79 115.64 119.22 1y94 s THR 64 Ca 0.17 0.90 -0.13 0.00 0.31 0.00 0.00 61.69 62.95 1y94 s THR 64 Cb 0.04 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1y94 s THR 64 CO -0.00 -0.59 1.03 0.00 -0.69 0.00 0.00 174.62 174.36 1y94 h LYS 66 N -0.03 0.24 -0.61 0.00 1.57 -1.92 -2.26 116.57 113.55 1y94 h LYS 66 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1y94 h LYS 66 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1y94 h LYS 66 CO 0.61 0.29 0.00 -0.40 -0.57 0.00 0.00 179.45 179.37 1y94 n ASP 67 N -4.37 2.45 0.00 0.86 5.75 -1.26 -4.88 116.55 115.10 1y94 n ASP 67 Ca -0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1y94 n ASP 67 Cb 0.19 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1y94 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y94 n GLY 68 N 0.57 2.73 3.76 6.12 0.00 -0.85 -5.01 105.19 112.51 1y94 n GLY 68 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1y94 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y94 s GLN 69 N -0.01 2.56 0.00 1.61 -0.21 -1.26 -4.76 119.66 117.59 1y94 s GLN 69 Ca 0.00 1.35 0.22 0.00 0.02 0.00 0.00 55.36 56.95 1y94 s GLN 69 Cb 0.00 -1.92 0.02 0.00 1.00 0.00 0.00 33.01 32.11 1y94 s GLN 69 CO 0.00 -1.43 1.08 0.25 -2.12 0.00 0.00 175.29 173.06 1y94 n THR 70 N -2.81 0.00 -0.91 -0.19 -2.24 -1.26 -1.59 114.28 105.28 1y94 n THR 70 Ca 0.10 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1y94 n THR 70 Cb 0.52 1.29 0.05 0.00 -2.10 0.00 0.00 70.33 70.09 1y94 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1y94 n ASN 71 N 0.19 6.45 -4.83 3.42 6.94 -1.26 -4.86 115.26 121.32 1y94 n ASN 71 Ca 0.10 -3.16 -0.33 0.00 -0.02 0.00 0.00 54.58 51.17 1y94 n ASN 71 Cb 0.47 -1.02 -0.06 0.00 -2.36 0.00 0.00 39.78 36.80 1y94 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y94 s TYR 73 N -1.26 0.52 -0.10 0.00 1.51 0.55 -1.79 117.35 116.77 1y94 s TYR 73 Ca 0.25 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1y94 s TYR 73 Cb -0.12 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 1y94 s TYR 73 CO 0.17 -0.05 -0.10 -1.14 -1.11 0.00 0.00 175.55 173.32 1y94 s GLN 74 N -0.83 3.10 0.26 -0.62 0.74 0.84 -1.22 119.66 121.94 1y94 s GLN 74 Ca -0.04 -0.62 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 1y94 s GLN 74 Cb -0.06 -2.62 -0.09 0.00 1.10 0.00 0.00 33.01 31.33 1y94 s GLN 74 CO 0.00 0.42 1.27 -1.54 -0.55 0.00 0.00 175.29 174.89 1y94 s SER 75 N -0.16 6.91 0.37 6.67 1.04 -0.63 -2.93 113.70 124.97 1y94 s SER 75 Ca 0.01 2.49 0.08 0.00 0.48 0.00 0.00 55.95 59.00 1y94 s SER 75 Cb -0.13 -2.63 0.74 0.00 0.10 0.00 0.00 66.02 64.10 1y94 s SER 75 CO 0.03 -0.47 1.92 0.07 0.98 0.00 0.00 173.24 175.77 1y94 h LYS 76 N 4.39 0.35 -6.07 4.02 2.10 -1.94 -3.44 116.57 115.98 1y94 h LYS 76 Ca -0.47 -0.07 -0.58 0.00 -2.00 0.00 0.00 60.65 57.54 1y94 h LYS 76 Cb 1.22 -0.05 -0.10 0.00 -0.90 0.00 0.00 32.23 32.39 1y94 h LYS 76 CO 0.71 0.43 -0.62 -1.12 -2.00 0.00 0.00 179.45 176.84 1y94 s SER 77 N -6.82 4.25 0.79 7.07 0.01 -1.26 -5.08 113.70 112.66 1y94 s SER 77 Ca -0.06 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.17 1y94 s SER 77 Cb 0.16 -0.59 0.07 0.00 0.21 0.00 0.00 66.02 65.86 1y94 s SER 77 CO 0.74 -0.18 1.09 0.42 0.41 0.00 0.00 173.24 175.72 1y94 s THR 78 N -2.47 3.24 0.01 1.44 -4.23 -1.26 -4.49 115.64 107.87 1y94 s THR 78 Ca 0.34 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1y94 s THR 78 Cb -0.02 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 1y94 s THR 78 CO 0.19 -0.53 -0.02 -0.04 -0.54 0.00 0.00 174.62 173.69 1y94 s MET 79 N -5.03 0.16 -0.05 3.99 -1.94 0.10 -4.86 119.30 111.67 1y94 s MET 79 Ca 0.61 -0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 54.08 1y94 s MET 79 Cb -0.16 -0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.60 1y94 s MET 79 CO 0.55 0.00 1.38 1.03 -0.01 0.00 0.00 175.02 177.98 1y94 s ARG 80 N -0.45 4.27 0.19 2.03 0.52 -1.26 -1.99 118.95 122.25 1y94 s ARG 80 Ca -0.04 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 1y94 s ARG 80 Cb -0.03 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1y94 s ARG 80 CO -0.00 -0.63 0.08 0.96 0.02 0.00 0.00 175.30 175.72 1y94 s ILE 81 N 2.88 0.31 -0.06 1.52 -4.36 -0.13 -1.43 121.20 119.94 1y94 s ILE 81 Ca 0.62 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 59.07 1y94 s ILE 81 Cb -0.28 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.10 1y94 s ILE 81 CO 0.23 -0.22 -0.13 -0.89 0.24 0.00 0.00 174.94 174.17 1y94 s THR 82 N -3.92 1.19 -0.23 8.37 2.01 0.13 -1.90 115.64 121.29 1y94 s THR 82 Ca 0.32 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 1y94 s THR 82 Cb 0.07 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1y94 s THR 82 CO 0.08 0.36 0.26 -1.81 -0.69 0.00 0.00 174.62 172.82 1y94 s ASP 83 N 0.44 6.24 -0.21 3.53 1.11 -0.04 -0.81 116.67 126.94 1y94 s ASP 83 Ca -0.11 0.27 -0.02 0.00 0.18 0.00 0.00 52.55 52.87 1y94 s ASP 83 Cb -0.14 -2.16 -0.00 0.00 1.07 0.00 0.00 42.92 41.69 1y94 s ASP 83 CO 0.03 0.00 -0.09 0.00 1.18 0.00 0.00 175.17 176.30 1y94 s ARG 85 N 1.38 1.72 0.16 0.00 3.52 -0.96 -1.04 118.95 123.73 1y94 s ARG 85 Ca 0.05 -0.33 -0.34 0.00 -0.13 0.00 0.00 55.73 54.98 1y94 s ARG 85 Cb -0.14 -1.71 -0.15 0.00 -1.56 0.00 0.00 34.95 31.40 1y94 s ARG 85 CO -0.05 -0.25 1.44 -1.91 -0.81 0.00 0.00 175.30 173.71 1y94 n GLU 86 N 4.86 1.77 -2.56 5.12 2.13 0.33 -1.06 120.64 131.23 1y94 n GLU 86 Ca -0.14 0.64 -0.27 0.00 0.66 0.00 0.00 57.16 58.05 1y94 n GLU 86 Cb 0.50 -2.32 0.01 0.00 0.27 0.00 0.00 31.44 29.90 1y94 n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1y94 s THR 87 N 0.48 4.43 0.39 6.31 -4.23 -0.73 -4.85 115.64 117.43 1y94 s THR 87 Ca 0.77 0.10 0.14 0.00 -1.18 0.00 0.00 61.69 61.53 1y94 s THR 87 Cb -0.76 -3.70 0.36 0.00 1.34 0.00 0.00 72.50 69.74 1y94 s THR 87 CO 0.44 -0.69 1.84 1.23 -0.54 0.00 0.00 174.62 176.90 1y94 h GLY 88 N 0.09 1.08 -2.61 3.99 0.00 -1.92 -1.56 103.07 102.13 1y94 h GLY 88 Ca -0.46 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1y94 h GLY 88 CO 0.61 -0.00 0.08 -1.14 0.00 0.00 0.00 176.54 176.09 1y94 n SER 89 N -4.56 3.66 -4.82 0.19 3.41 -1.26 -4.90 113.62 105.34 1y94 n SER 89 Ca 0.20 -2.62 -0.38 0.00 -0.26 0.00 0.00 58.87 55.81 1y94 n SER 89 Cb 0.64 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1y94 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1y94 s SER 90 N -0.41 6.83 -0.19 4.04 0.15 -0.59 -4.88 113.70 118.64 1y94 s SER 90 Ca 0.32 0.99 -0.04 0.00 0.70 0.00 0.00 55.95 57.92 1y94 s SER 90 Cb 0.25 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.38 1y94 s SER 90 CO 0.08 0.28 0.26 -0.75 1.20 0.00 0.00 173.24 174.31 1y94 s LYS 91 N -0.89 0.20 0.37 5.44 2.36 -1.22 -4.95 119.74 121.06 1y94 s LYS 91 Ca 0.25 0.39 -0.25 0.00 -2.55 0.00 0.00 55.97 53.80 1y94 s LYS 91 Cb -0.17 -0.81 -0.12 0.00 -1.05 0.00 0.00 37.83 35.68 1y94 s LYS 91 CO 0.14 -0.56 0.88 0.98 1.55 0.00 0.00 175.35 178.34 1y94 n TYR 92 N 5.33 0.76 -0.03 4.03 9.36 -1.26 -0.07 117.16 135.28 1y94 n TYR 92 Ca -0.05 0.63 -0.03 0.00 3.32 0.00 0.00 57.90 61.77 1y94 n TYR 92 Cb 0.50 -2.17 0.16 0.00 -0.63 0.00 0.00 39.34 37.20 1y94 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1y94 n PRO 93 N 0.46 2.46 -3.15 2.98 -0.04 -1.26 -4.95 135.00 131.51 1y94 n PRO 93 Ca 0.10 -1.58 -0.32 0.00 -0.04 0.00 0.00 63.50 61.67 1y94 n PRO 93 Cb 0.36 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1y94 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y94 n ASN 94 N 0.06 4.92 -4.71 3.54 4.13 0.90 -5.05 115.26 119.05 1y94 n ASN 94 Ca 0.21 -3.51 -0.42 0.00 1.68 0.00 0.00 54.58 52.53 1y94 n ASN 94 Cb 0.88 -0.84 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1y94 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y94 s ALA 96 N 1.49 1.62 0.18 0.00 0.00 -1.26 -4.96 121.76 118.83 1y94 s ALA 96 Ca 0.71 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.03 1y94 s ALA 96 Cb -0.43 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1y94 s ALA 96 CO 0.32 0.27 -0.15 0.71 0.00 0.00 0.00 175.76 176.91 1y94 s TYR 97 N 0.12 1.65 -0.16 0.00 2.02 -1.26 -1.77 117.35 117.95 1y94 s TYR 97 Ca -0.06 -0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 56.01 1y94 s TYR 97 Cb -0.13 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 1y94 s TYR 97 CO 0.03 0.30 0.06 0.21 -1.57 0.00 0.00 175.55 174.58 1y94 s LYS 98 N -3.33 3.78 -0.20 -0.62 2.20 -0.22 -4.65 119.74 116.69 1y94 s LYS 98 Ca 0.19 -0.34 -0.08 0.00 -0.36 0.00 0.00 55.97 55.38 1y94 s LYS 98 Cb -0.02 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1y94 s LYS 98 CO 0.06 0.38 0.09 0.99 -0.36 0.00 0.00 175.35 176.51 1y94 s THR 99 N 0.05 4.93 -0.11 3.43 2.01 -1.26 -2.26 115.64 122.42 1y94 s THR 99 Ca 0.05 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1y94 s THR 99 Cb -0.12 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1y94 s THR 99 CO 0.01 0.42 0.03 -0.89 -0.69 0.00 0.00 174.62 173.50 1y94 s THR 100 N 0.66 0.24 -0.07 -0.82 2.01 -0.87 -4.98 115.64 111.82 1y94 s THR 100 Ca 0.05 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 1y94 s THR 100 Cb -0.13 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1y94 s THR 100 CO 0.01 0.05 0.55 -1.10 -0.69 0.00 0.00 174.62 173.44 1y94 s GLN 101 N 2.01 4.33 0.16 4.92 -0.21 -1.26 -0.86 119.66 128.75 1y94 s GLN 101 Ca 0.03 0.62 -0.08 0.00 0.02 0.00 0.00 55.36 55.94 1y94 s GLN 101 Cb -0.14 -3.40 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 1y94 s GLN 101 CO -0.06 0.23 0.27 0.14 -2.12 0.00 0.00 175.29 173.75 1y94 s VAL 102 N 0.33 0.07 -0.24 1.09 -7.23 -0.80 -5.01 120.40 108.61 1y94 s VAL 102 Ca 0.30 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1y94 s VAL 102 Cb -0.17 -1.87 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1y94 s VAL 102 CO 0.14 -0.30 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.99 1y94 s GLU 103 N -3.98 1.47 0.22 4.82 2.02 -1.26 -0.95 118.70 121.04 1y94 s GLU 103 Ca 0.18 -0.99 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 1y94 s GLU 103 Cb 0.04 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 1y94 s GLU 103 CO 0.01 -0.65 0.23 0.15 0.02 0.00 0.00 175.26 175.02 1y94 s LYS 104 N 1.42 1.33 0.28 1.61 1.02 -0.84 -4.74 119.74 119.83 1y94 s LYS 104 Ca -0.03 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.11 1y94 s LYS 104 Cb -0.19 0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 37.36 1y94 s LYS 104 CO -0.08 -0.48 1.03 -1.01 -0.92 0.00 0.00 175.35 173.90 1y94 s HIS 105 N -4.06 3.68 0.20 3.18 3.76 0.06 0.02 115.29 122.13 1y94 s HIS 105 Ca 0.35 1.77 0.08 0.00 -0.15 0.00 0.00 55.06 57.11 1y94 s HIS 105 Cb 0.05 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1y94 s HIS 105 CO 0.12 -0.19 -0.01 0.96 -0.85 0.00 0.00 174.74 174.77 1y94 s ILE 106 N -1.25 3.59 -0.16 0.60 -4.36 -1.26 0.31 121.20 118.67 1y94 s ILE 106 Ca 0.45 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1y94 s ILE 106 Cb -0.28 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 40.62 1y94 s ILE 106 CO 0.36 -0.19 -0.11 -0.63 0.24 0.00 0.00 174.94 174.60 1y94 s ILE 107 N -1.89 1.47 0.21 8.37 1.01 0.14 -1.60 121.20 128.92 1y94 s ILE 107 Ca 0.28 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1y94 s ILE 107 Cb -0.08 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1y94 s ILE 107 CO 0.19 0.34 -0.19 0.68 0.00 0.00 0.00 174.94 175.96 1y94 s VAL 108 N 1.51 2.06 -0.12 2.92 -7.23 -0.36 0.44 120.40 119.62 1y94 s VAL 108 Ca 0.03 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 57.98 1y94 s VAL 108 Cb -0.14 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1y94 s VAL 108 CO -0.09 -0.39 0.12 0.00 -0.31 0.00 0.00 175.10 174.43 1y94 s ALA 109 N -2.37 3.81 0.04 1.32 0.00 0.14 -0.33 121.76 124.36 1y94 s ALA 109 Ca 0.22 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.59 1y94 s ALA 109 Cb -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1y94 s ALA 109 CO 0.09 0.60 -0.18 0.00 0.00 0.00 0.00 175.76 176.27 1y94 s GLY 111 N -1.39 0.47 0.06 0.00 0.00 -0.34 -4.88 107.32 101.24 1y94 s GLY 111 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1y94 s GLY 111 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1y94 n GLY 112 N -0.51 -1.40 2.83 0.20 0.00 -1.26 -2.24 105.19 102.81 1y94 n GLY 112 Ca -0.05 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 1y94 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y94 s LYS 113 N -1.25 1.06 0.78 1.61 -0.14 -1.26 -2.95 119.74 117.60 1y94 s LYS 113 Ca 0.00 -0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 1y94 s LYS 113 Cb 0.00 -1.61 0.06 0.00 -1.68 0.00 0.00 37.83 34.60 1y94 s LYS 113 CO 0.00 -0.39 1.09 -1.25 -0.76 0.00 0.00 175.35 174.04 1y94 s PRO 114 N 1.80 2.18 -0.31 -1.68 0.04 -1.26 -5.07 135.00 130.70 1y94 s PRO 114 Ca 0.03 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1y94 s PRO 114 Cb -0.14 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1y94 s PRO 114 CO -0.07 -1.70 1.69 0.45 0.04 0.00 0.00 177.00 177.41 1y94 s SER 115 N -3.38 6.11 0.21 6.66 0.15 -1.15 -4.87 113.70 117.42 1y94 s SER 115 Ca 0.61 1.34 0.09 0.00 0.70 0.00 0.00 55.95 58.69 1y94 s SER 115 Cb -0.17 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1y94 s SER 115 CO 0.56 -1.53 -0.17 0.68 1.20 0.00 0.00 173.24 173.98 1y94 s VAL 116 N 6.15 1.96 0.22 4.45 -7.23 -0.95 -4.83 120.40 120.17 1y94 s VAL 116 Ca 0.75 -2.15 -0.32 0.00 -1.81 0.00 0.00 61.98 58.45 1y94 s VAL 116 Cb -0.22 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.56 1y94 s VAL 116 CO 0.32 -0.43 1.63 -2.65 -0.31 0.00 0.00 175.10 173.66 1y94 n PRO 117 N -0.17 2.53 0.00 4.82 -0.02 -1.26 -1.19 135.00 139.71 1y94 n PRO 117 Ca -0.09 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1y94 n PRO 117 Cb 0.59 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1y94 n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1y94 n VAL 118 N 3.23 0.00 -3.64 -1.45 0.24 0.10 -4.86 118.33 111.96 1y94 n VAL 118 Ca 0.14 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 1y94 n VAL 118 Cb 0.33 1.42 -0.07 0.00 -1.47 0.00 0.00 33.84 34.05 1y94 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1y94 s HIS 119 N -0.08 -0.89 -0.26 6.34 5.65 -1.15 -4.96 115.29 119.93 1y94 s HIS 119 Ca 0.00 1.95 -0.16 0.00 0.25 0.00 0.00 55.06 57.10 1y94 s HIS 119 Cb 0.00 0.45 -0.03 0.00 -1.18 0.00 0.00 32.58 31.82 1y94 s HIS 119 CO 0.00 -0.44 0.41 0.12 -0.65 0.00 0.00 174.74 174.19 1y94 s PHE 120 N 1.00 3.26 -0.19 3.88 2.19 -1.26 -0.69 117.98 126.17 1y94 s PHE 120 Ca -0.05 0.48 -0.05 0.00 0.33 0.00 0.00 56.93 57.64 1y94 s PHE 120 Cb -0.05 -2.61 -0.21 0.00 -1.31 0.00 0.00 43.02 38.84 1y94 s PHE 120 CO -0.10 -0.23 0.08 -3.47 1.83 0.00 0.00 175.22 173.33 1y94 n ASP 121 N 5.35 2.04 -3.95 6.13 2.03 0.17 -4.97 116.55 123.35 1y94 n ASP 121 Ca -0.07 0.10 0.05 0.00 0.52 0.00 0.00 54.79 55.39 1y94 n ASP 121 Cb 0.50 -0.70 0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1y94 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y94 s ALA 122 N -2.53 -2.77 0.02 -1.67 0.00 -1.05 -4.95 121.76 108.80 1y94 s ALA 122 Ca -0.29 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1y94 s ALA 122 Cb 0.08 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1y94 s ALA 122 CO 0.67 -1.16 -0.14 -1.54 0.00 0.00 0.00 175.76 173.59 1y94 s SER 123 N -3.81 1.67 0.00 0.00 1.04 -1.26 0.27 113.70 111.60 1y94 s SER 123 Ca 0.30 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1y94 s SER 123 Cb 0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1y94 s SER 123 CO -0.04 0.10 0.14 0.55 0.98 0.00 0.00 173.24 174.98