#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b63 n THR 3 N 0.00 -1.91 -2.03 12.58 -1.04 -1.26 -4.92 114.28 115.69 2b63 n THR 3 Ca 0.00 0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.86 2b63 n THR 3 Cb 0.00 -1.99 0.10 0.00 -1.82 0.00 0.00 70.33 66.62 2b63 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2b63 s PHE 4 N -0.78 2.61 0.03 -1.42 -0.12 -1.26 -5.10 117.98 111.94 2b63 s PHE 4 Ca 0.15 0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 57.55 2b63 s PHE 4 Cb -0.02 -3.50 -0.03 0.00 -0.63 0.00 0.00 43.02 38.84 2b63 s PHE 4 CO 0.34 -1.83 -0.03 0.50 -0.05 0.00 0.00 175.22 174.15 2b63 s ARG 5 N -5.52 0.42 0.15 1.99 3.52 -1.26 -5.16 118.95 113.10 2b63 s ARG 5 Ca 0.64 -0.81 0.05 0.00 -0.13 0.00 0.00 55.73 55.48 2b63 s ARG 5 Cb -0.09 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 2b63 s ARG 5 CO 0.48 -0.06 0.12 -0.06 -0.81 0.00 0.00 175.30 174.97 2b63 s PHE 6 N -2.23 3.14 1.07 5.12 0.40 -1.26 -4.03 117.98 120.19 2b63 s PHE 6 Ca -0.08 -0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.05 2b63 s PHE 6 Cb -0.04 -1.52 0.25 0.00 0.51 0.00 0.00 43.02 42.22 2b63 s PHE 6 CO -0.04 0.52 1.23 0.00 0.70 0.00 0.00 175.22 177.63 2b63 n ARG 8 N -4.20 3.64 0.00 0.00 1.74 -1.26 -3.71 116.66 112.87 2b63 n ARG 8 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2b63 n ARG 8 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 2b63 n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2b63 n ASP 9 N 0.00 0.00 -1.08 0.55 8.00 -1.26 0.42 116.55 123.18 2b63 n ASP 9 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2b63 n ASP 9 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 2b63 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b63 n ASN 11 N 1.06 -2.94 0.00 0.00 5.15 0.17 -4.97 115.26 113.72 2b63 n ASN 11 Ca 0.19 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2b63 n ASN 11 Cb 0.59 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 2b63 n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2b63 n ASN 12 N 0.26 0.70 -4.86 1.20 5.03 -1.26 -4.91 115.26 111.41 2b63 n ASN 12 Ca -0.06 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.08 2b63 n ASN 12 Cb 0.37 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.10 2b63 n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2b63 s MET 13 N 1.19 3.87 -0.29 3.52 -2.45 -1.26 -3.58 119.30 120.30 2b63 s MET 13 Ca 0.00 0.70 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2b63 s MET 13 Cb 0.00 -2.28 0.07 0.00 1.25 0.00 0.00 34.83 33.88 2b63 s MET 13 CO 0.00 -0.13 -0.05 -0.51 1.05 0.00 0.00 175.02 175.38 2b63 s LEU 14 N -3.89 3.91 0.12 4.11 1.43 -1.26 -4.58 118.68 118.52 2b63 s LEU 14 Ca 0.55 -1.65 -0.24 0.00 -1.03 0.00 0.00 54.13 51.76 2b63 s LEU 14 Cb -0.10 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 2b63 s LEU 14 CO 0.30 -0.26 0.73 -0.31 0.23 0.00 0.00 176.35 177.05 2b63 s TYR 15 N 1.04 3.85 0.23 0.29 1.51 -1.00 -4.66 117.35 118.60 2b63 s TYR 15 Ca -0.02 1.52 -0.13 0.00 -1.01 0.00 0.00 57.07 57.43 2b63 s TYR 15 Cb -0.20 -2.73 -0.08 0.00 -0.11 0.00 0.00 41.96 38.85 2b63 s TYR 15 CO -0.06 0.47 0.60 -1.25 -1.11 0.00 0.00 175.55 174.20 2b63 s PRO 16 N -0.87 3.92 -0.04 -1.71 0.04 -1.26 -0.17 135.00 134.91 2b63 s PRO 16 Ca 0.35 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.77 2b63 s PRO 16 Cb -0.22 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.65 2b63 s PRO 16 CO 0.24 0.33 0.16 1.03 0.04 0.00 0.00 177.00 178.80 2b63 s ARG 17 N -2.59 0.33 0.41 4.56 0.52 -0.95 -4.96 118.95 116.27 2b63 s ARG 17 Ca 0.46 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.48 2b63 s ARG 17 Cb -0.12 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.40 2b63 s ARG 17 CO 0.20 -0.06 0.88 -2.00 0.02 0.00 0.00 175.30 174.33 2b63 s GLU 18 N -0.52 4.06 -0.80 3.54 2.12 -1.26 -2.36 118.70 123.48 2b63 s GLU 18 Ca -0.06 0.89 -0.14 0.00 0.36 0.00 0.00 54.97 56.01 2b63 s GLU 18 Cb -0.04 -2.26 0.21 0.00 0.26 0.00 0.00 34.13 32.29 2b63 s GLU 18 CO 0.01 -0.03 0.74 0.34 -0.54 0.00 0.00 175.26 175.78 2b63 s ASP 19 N -2.49 6.70 0.00 -1.70 -1.08 -0.40 -4.95 116.67 112.74 2b63 s ASP 19 Ca 0.58 -2.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.03 2b63 s ASP 19 Cb -0.10 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 2b63 s ASP 19 CO 0.20 -0.61 0.80 0.29 0.52 0.00 0.00 175.17 176.36 2b63 n LYS 20 N 4.16 0.00 0.33 4.34 5.02 -1.26 -0.35 118.16 130.40 2b63 n LYS 20 Ca 0.11 0.76 0.21 0.00 -2.02 0.00 0.00 58.31 57.37 2b63 n LYS 20 Cb 0.46 -1.30 1.12 0.00 -0.02 0.00 0.00 35.03 35.30 2b63 n LYS 20 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2b63 h GLU 21 N 0.00 0.00 0.00 1.97 4.81 -1.99 -2.96 114.58 116.41 2b63 h GLU 21 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2b63 h GLU 21 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2b63 h GLU 21 CO 0.00 0.00 -0.55 0.09 -0.73 0.00 0.00 179.01 177.82 2b63 n ASN 22 N -3.00 0.66 -2.90 1.04 3.02 -0.98 -5.05 115.26 108.04 2b63 n ASN 22 Ca -0.03 -0.67 -0.02 0.00 -0.03 0.00 0.00 54.58 53.84 2b63 n ASN 22 Cb 0.12 1.04 0.01 0.00 -0.61 0.00 0.00 39.78 40.34 2b63 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2b63 n ASN 23 N -1.28 -7.01 -3.52 6.41 4.13 0.53 -5.06 115.26 109.46 2b63 n ASN 23 Ca 0.02 -0.14 -0.15 0.00 1.68 0.00 0.00 54.58 55.99 2b63 n ASN 23 Cb 0.16 -4.81 -0.05 0.00 -1.54 0.00 0.00 39.78 33.55 2b63 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2b63 s ARG 24 N -3.16 0.97 0.22 3.52 1.70 -1.23 -5.00 118.95 115.97 2b63 s ARG 24 Ca 0.05 0.08 -0.17 0.00 -0.47 0.00 0.00 55.73 55.22 2b63 s ARG 24 Cb -0.01 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 2b63 s ARG 24 CO 0.66 -0.34 0.67 -1.17 -1.08 0.00 0.00 175.30 174.05 2b63 s LEU 25 N -1.52 4.27 0.20 -1.89 2.96 -1.26 -1.28 118.68 120.17 2b63 s LEU 25 Ca -0.06 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 2b63 s LEU 25 Cb -0.00 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2b63 s LEU 25 CO 0.03 -0.00 0.13 -0.76 -1.32 0.00 0.00 176.35 174.42 2b63 s LEU 26 N -2.23 1.18 0.07 -0.68 1.43 -1.00 -1.78 118.68 115.68 2b63 s LEU 26 Ca 0.44 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 2b63 s LEU 26 Cb -0.15 0.37 -0.03 0.00 0.03 0.00 0.00 46.19 46.41 2b63 s LEU 26 CO 0.20 -0.83 -0.10 -0.36 0.23 0.00 0.00 176.35 175.49 2b63 s PHE 27 N -4.15 0.92 0.32 0.29 2.99 -0.71 -2.23 117.98 115.42 2b63 s PHE 27 Ca 0.39 -0.58 -0.06 0.00 0.00 0.00 0.00 56.93 56.68 2b63 s PHE 27 Cb 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 43.02 42.57 2b63 s PHE 27 CO 0.12 -0.04 0.49 -1.83 -0.00 0.00 0.00 175.22 173.97 2b63 s GLU 28 N -2.22 1.85 -0.24 0.44 -1.05 0.76 -1.96 118.70 116.28 2b63 s GLU 28 Ca -0.01 -1.62 -0.10 0.00 -0.15 0.00 0.00 54.97 53.08 2b63 s GLU 28 Cb -0.06 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 2b63 s GLU 28 CO 0.00 -0.77 0.15 0.00 0.95 0.00 0.00 175.26 175.58 2b63 n ARG 30 N 4.45 2.20 -0.11 0.00 1.74 -1.26 -3.98 116.66 119.70 2b63 n ARG 30 Ca -0.15 -1.82 -0.18 0.00 -0.77 0.00 0.00 57.85 54.92 2b63 n ARG 30 Cb 0.52 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 2b63 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2b63 n THR 31 N 1.03 1.51 0.00 0.55 -1.04 -1.26 -5.04 114.28 110.03 2b63 n THR 31 Ca 0.18 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2b63 n THR 31 Cb 0.49 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 2b63 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b63 n SER 33 N 0.00 1.64 -3.96 0.00 7.64 -1.26 -4.87 113.62 112.80 2b63 n SER 33 Ca 0.00 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.47 2b63 n SER 33 Cb 0.00 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2b63 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b63 n TYR 34 N -0.57 -2.31 -3.54 1.43 -0.00 -1.26 -4.75 117.16 106.16 2b63 n TYR 34 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 57.90 58.40 2b63 n TYR 34 Cb 0.00 -1.61 -0.04 0.00 -0.00 0.00 0.00 39.34 37.70 2b63 n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2b63 s VAL 35 N -1.70 -0.90 0.27 2.97 1.01 -1.26 -2.44 120.40 118.35 2b63 s VAL 35 Ca 0.54 0.00 0.12 0.00 0.00 0.00 0.00 61.98 62.64 2b63 s VAL 35 Cb -0.53 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2b63 s VAL 35 CO 0.60 0.00 -0.18 -1.83 0.00 0.00 0.00 175.10 173.69 2b63 s GLU 36 N 2.82 1.74 0.68 2.72 -1.05 -0.83 -4.98 118.70 119.81 2b63 s GLU 36 Ca -0.02 -1.71 -0.13 0.00 -0.15 0.00 0.00 54.97 52.96 2b63 s GLU 36 Cb -0.11 -1.82 0.01 0.00 -0.44 0.00 0.00 34.13 31.76 2b63 s GLU 36 CO -0.19 0.34 1.08 -1.83 0.95 0.00 0.00 175.26 175.62 2b63 s GLU 37 N -3.47 2.79 1.17 -4.83 -1.05 -1.26 -1.73 118.70 110.33 2b63 s GLU 37 Ca 0.30 1.22 -0.15 0.00 -0.15 0.00 0.00 54.97 56.18 2b63 s GLU 37 Cb -0.05 -1.96 0.23 0.00 -0.44 0.00 0.00 34.13 31.91 2b63 s GLU 37 CO 0.15 -1.23 0.62 0.00 0.95 0.00 0.00 175.26 175.75 2b63 n ALA 38 N -2.74 -3.53 -0.03 -0.84 0.00 -0.74 -4.74 120.51 107.90 2b63 n ALA 38 Ca 0.09 -1.27 -0.07 0.00 0.00 0.00 0.00 53.44 52.19 2b63 n ALA 38 Cb 0.53 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 2b63 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b63 n GLY 39 N 1.45 -0.11 3.27 0.00 0.00 -1.26 -5.05 105.19 103.49 2b63 n GLY 39 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2b63 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b63 s SER 40 N -5.59 0.13 0.00 1.61 1.04 -1.26 -5.06 113.70 104.58 2b63 s SER 40 Ca -0.09 -0.96 0.27 0.00 0.48 0.00 0.00 55.95 55.66 2b63 s SER 40 Cb 0.04 0.38 1.46 0.00 0.10 0.00 0.00 66.02 68.00 2b63 s SER 40 CO 0.12 -0.83 1.96 -0.81 0.98 0.00 0.00 173.24 174.65 2b63 n PRO 41 N -0.16 0.53 -3.07 4.02 -0.04 -1.26 -4.79 135.00 130.23 2b63 n PRO 41 Ca -0.07 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 2b63 n PRO 41 Cb 0.63 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 2b63 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2b63 s LEU 42 N -2.41 4.12 0.00 1.53 2.96 -1.26 -4.93 118.68 118.70 2b63 s LEU 42 Ca 0.30 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2b63 s LEU 42 Cb 0.19 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 2b63 s LEU 42 CO 0.39 -0.33 0.28 0.52 -1.32 0.00 0.00 176.35 175.89 2b63 n VAL 43 N 4.85 0.00 -3.64 1.68 0.31 -1.26 -4.95 118.33 115.32 2b63 n VAL 43 Ca 0.00 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.76 2b63 n VAL 43 Cb 0.49 1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 34.37 2b63 n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2b63 s TYR 44 N -0.77 -0.52 -0.01 3.52 5.04 -1.26 -5.11 117.35 118.23 2b63 s TYR 44 Ca 0.01 1.28 -0.02 0.00 -2.44 0.00 0.00 57.07 55.91 2b63 s TYR 44 Cb 0.02 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.68 2b63 s TYR 44 CO 0.06 -0.25 0.04 0.50 -1.34 0.00 0.00 175.55 174.56 2b63 s ARG 45 N 0.24 0.08 -0.15 4.97 3.52 -1.26 -5.08 118.95 121.28 2b63 s ARG 45 Ca 0.03 0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 2b63 s ARG 45 Cb -0.05 0.04 -0.09 0.00 -1.56 0.00 0.00 34.95 33.29 2b63 s ARG 45 CO -0.05 -0.01 -0.16 1.58 -0.81 0.00 0.00 175.30 175.85 2b63 n HIS 46 N 2.91 0.00 -2.33 5.12 -0.00 -1.26 -5.12 115.22 114.55 2b63 n HIS 46 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.58 2b63 n HIS 46 Cb 0.59 -0.57 -0.01 0.00 -0.00 0.00 0.00 29.99 30.01 2b63 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2b63 n GLU 47 N -3.21 -2.72 -0.11 1.57 2.13 -1.26 -5.00 120.64 112.04 2b63 n GLU 47 Ca -0.28 2.02 -0.18 0.00 0.66 0.00 0.00 57.16 59.37 2b63 n GLU 47 Cb 0.76 -2.72 -0.07 0.00 0.27 0.00 0.00 31.44 29.68 2b63 n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2b63 n LEU 48 N 1.97 1.92 -4.50 4.31 4.77 -1.26 -4.66 117.00 119.55 2b63 n LEU 48 Ca -0.05 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 2b63 n LEU 48 Cb 0.07 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.33 2b63 n LEU 48 CO 0.04 0.11 1.45 -0.63 -1.33 0.00 0.00 177.39 177.03 2b63 s ILE 49 N -2.58 4.67 0.79 -0.08 -1.09 -1.26 -5.00 121.20 116.65 2b63 s ILE 49 Ca -0.31 -2.10 -0.11 0.00 -2.23 0.00 0.00 60.65 55.91 2b63 s ILE 49 Cb 0.08 -4.96 0.06 0.00 -1.58 0.00 0.00 42.46 36.06 2b63 s ILE 49 CO 0.45 -1.72 1.09 -0.89 -1.23 0.00 0.00 174.94 172.63 2b63 s THR 50 N 2.70 3.30 0.00 2.92 2.01 -1.26 -4.96 115.64 120.35 2b63 s THR 50 Ca 0.44 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2b63 s THR 50 Cb -0.01 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.51 2b63 s THR 50 CO -0.01 -0.55 0.00 0.59 -0.69 0.00 0.00 174.62 173.96 2b63 n ASN 51 N -3.51 0.00 -4.62 3.53 4.13 -1.26 -5.09 115.26 108.44 2b63 n ASN 51 Ca 0.08 -0.61 -0.42 0.00 1.68 0.00 0.00 54.58 55.30 2b63 n ASN 51 Cb 0.54 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.74 2b63 n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2b63 s ILE 52 N 0.00 4.65 0.00 2.41 -4.36 -1.26 -3.45 121.20 119.19 2b63 s ILE 52 Ca 0.00 1.39 0.00 0.00 -0.26 0.00 0.00 60.65 61.78 2b63 s ILE 52 Cb 0.00 -4.28 0.00 0.00 1.25 0.00 0.00 42.46 39.43 2b63 s ILE 52 CO 0.00 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.41 2b63 n GLY 53 N 4.10 0.91 0.42 6.27 0.00 -1.26 -4.97 105.19 110.66 2b63 n GLY 53 Ca 0.07 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.33 2b63 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b63 h GLU 54 N 1.41 0.04 -0.80 1.61 5.08 -1.93 -1.15 114.58 118.85 2b63 h GLU 54 Ca 0.00 -0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 2b63 h GLU 54 Cb 0.00 -0.01 -0.42 0.00 0.50 0.00 0.00 28.75 28.82 2b63 h GLU 54 CO 0.00 0.03 -0.94 2.41 -1.00 0.00 0.00 179.01 179.51 2b63 n THR 55 N -4.34 1.94 -1.57 1.13 -1.04 -1.26 -3.21 114.28 105.93 2b63 n THR 55 Ca 0.15 -3.80 -0.37 0.00 -2.04 0.00 0.00 64.05 57.99 2b63 n THR 55 Cb 0.77 -0.20 0.06 0.00 -1.82 0.00 0.00 70.33 69.14 2b63 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b63 n ALA 56 N -0.57 0.03 -1.35 2.41 0.00 -0.43 -4.33 120.51 116.26 2b63 n ALA 56 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2b63 n ALA 56 Cb 0.85 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2b63 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b63 n GLY 57 N 1.29 0.00 2.62 0.00 0.00 -1.26 -4.95 105.19 102.90 2b63 n GLY 57 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2b63 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b63 s VAL 58 N -0.01 1.30 0.73 1.61 1.01 -1.26 -5.12 120.40 118.67 2b63 s VAL 58 Ca 0.00 -2.98 -0.12 0.00 0.00 0.00 0.00 61.98 58.88 2b63 s VAL 58 Cb 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.53 2b63 s VAL 58 CO 0.00 -1.06 1.09 -0.69 0.00 0.00 0.00 175.10 174.44 2b63 s VAL 59 N -0.18 3.38 -1.55 2.92 1.01 -1.26 -4.89 120.40 119.83 2b63 s VAL 59 Ca 0.25 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.81 2b63 s VAL 59 Cb -0.08 -3.02 0.15 0.00 0.00 0.00 0.00 36.38 33.42 2b63 s VAL 59 CO -0.12 -0.53 1.05 1.67 0.00 0.00 0.00 175.10 177.17 2b63 n GLN 60 N -3.17 0.13 -0.05 2.72 -0.06 -1.26 -1.29 117.38 114.40 2b63 n GLN 60 Ca 0.09 0.17 0.12 0.00 -2.00 0.00 0.00 57.00 55.39 2b63 n GLN 60 Cb 0.53 -1.50 0.15 0.00 -4.06 0.00 0.00 30.24 25.36 2b63 n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2b63 n ASP 61 N -1.23 3.07 -0.05 1.69 8.00 -1.26 -4.41 116.55 122.36 2b63 n ASP 61 Ca 0.04 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2b63 n ASP 61 Cb 0.05 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2b63 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b63 n ILE 62 N 1.34 0.00 -0.01 0.53 3.06 -0.41 -0.30 119.36 123.57 2b63 n ILE 62 Ca 0.16 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.44 2b63 n ILE 62 Cb 0.59 -0.39 -0.06 0.00 0.54 0.00 0.00 39.64 40.32 2b63 n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2b63 n GLY 63 N -0.27 -0.38 1.39 4.50 0.00 -1.26 -4.52 105.19 104.65 2b63 n GLY 63 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 2b63 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b63 n SER 64 N -1.88 3.58 -4.12 1.61 3.41 0.59 -4.77 113.62 112.04 2b63 n SER 64 Ca -0.03 -2.63 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 2b63 n SER 64 Cb 0.31 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 63.50 2b63 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b63 s ASP 65 N -0.38 4.94 0.43 4.04 -1.08 -1.25 -5.00 116.67 118.35 2b63 s ASP 65 Ca 0.31 -1.67 0.10 0.00 -0.52 0.00 0.00 52.55 50.76 2b63 s ASP 65 Cb 0.24 -1.72 0.94 0.00 -1.46 0.00 0.00 42.92 40.93 2b63 s ASP 65 CO 0.08 -0.36 2.05 1.55 0.52 0.00 0.00 175.17 179.01 2b63 h PRO 66 N 7.92 0.45 -0.02 4.34 0.13 -1.97 -2.89 132.00 139.98 2b63 h PRO 66 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2b63 h PRO 66 Cb 1.05 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2b63 h PRO 66 CO 0.57 0.30 0.26 1.79 -0.23 0.00 0.00 178.00 180.69 2b63 h THR 67 N 0.47 0.02 -3.57 1.56 1.35 -1.99 -3.42 112.91 107.32 2b63 h THR 67 Ca 0.17 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.51 2b63 h THR 67 Cb 0.11 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 2b63 h THR 67 CO -0.04 0.00 0.04 -0.76 -0.25 0.00 0.00 175.52 174.51 2b63 s LEU 68 N -5.94 4.20 0.51 3.87 1.43 -1.09 -5.08 118.68 116.58 2b63 s LEU 68 Ca -0.04 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 2b63 s LEU 68 Cb 0.10 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 2b63 s LEU 68 CO 0.32 -0.07 0.96 -2.16 0.23 0.00 0.00 176.35 175.63 2b63 s PRO 69 N -2.50 3.90 0.28 1.29 0.04 -1.26 -5.00 135.00 131.75 2b63 s PRO 69 Ca 0.47 0.88 0.11 0.00 0.04 0.00 0.00 61.00 62.50 2b63 s PRO 69 Cb -0.13 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2b63 s PRO 69 CO 0.19 -0.26 -0.17 1.03 0.04 0.00 0.00 177.00 177.83 2b63 s ARG 70 N -4.13 1.65 0.19 4.56 1.81 -1.26 -3.03 118.95 118.74 2b63 s ARG 70 Ca 0.58 -1.78 -0.02 0.00 -1.72 0.00 0.00 55.73 52.79 2b63 s ARG 70 Cb -0.10 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.71 2b63 s ARG 70 CO 0.33 0.27 0.14 -1.54 -0.68 0.00 0.00 175.30 173.82 2b63 s SER 71 N -3.50 0.16 -0.45 0.23 1.04 -1.19 -4.96 113.70 105.03 2b63 s SER 71 Ca 0.29 -1.32 0.08 0.00 0.48 0.00 0.00 55.95 55.49 2b63 s SER 71 Cb -0.03 0.38 0.40 0.00 0.10 0.00 0.00 66.02 66.87 2b63 s SER 71 CO 0.14 -0.84 0.99 -0.90 0.98 0.00 0.00 173.24 173.61 2b63 n ASP 72 N -0.24 3.57 0.00 7.02 5.75 -1.26 -3.41 116.55 127.97 2b63 n ASP 72 Ca 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 2b63 n ASP 72 Cb 0.65 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2b63 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2b63 n ARG 73 N -0.25 3.69 -3.73 0.11 1.74 -1.26 -4.98 116.66 111.98 2b63 n ARG 73 Ca 0.30 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.24 2b63 n ARG 73 Cb 0.62 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.96 2b63 n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2b63 s GLU 74 N 4.28 0.52 0.99 5.56 -1.05 -1.24 -3.89 118.70 123.87 2b63 s GLU 74 Ca 0.00 0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 55.14 2b63 s GLU 74 Cb 0.00 0.25 -0.08 0.00 -0.44 0.00 0.00 34.13 33.86 2b63 s GLU 74 CO 0.00 -0.08 -0.44 0.00 0.95 0.00 0.00 175.26 175.70 2b63 n PRO 76 N 0.96 0.00 0.00 0.00 -0.02 -1.26 -4.02 135.00 130.66 2b63 n PRO 76 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2b63 n PRO 76 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2b63 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2b63 n LYS 77 N -1.50 0.00 0.00 -0.52 5.02 -1.26 -4.86 118.16 115.04 2b63 n LYS 77 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2b63 n LYS 77 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 2b63 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b63 n HIS 79 N -1.19 -1.43 -1.83 0.00 8.25 -1.26 -4.84 115.22 112.92 2b63 n HIS 79 Ca 0.00 0.72 -0.12 0.00 -0.26 0.00 0.00 57.72 58.06 2b63 n HIS 79 Cb 0.22 -2.63 0.08 0.00 1.12 0.00 0.00 29.99 28.78 2b63 n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2b63 n SER 80 N -2.67 0.28 -1.16 0.41 7.64 -1.26 -4.75 113.62 112.11 2b63 n SER 80 Ca -0.03 -1.34 0.01 0.00 1.01 0.00 0.00 58.87 58.52 2b63 n SER 80 Cb 0.54 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2b63 n SER 80 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2b63 n ARG 81 N -2.08 0.00 -3.88 1.43 1.74 -1.25 -3.61 116.66 109.01 2b63 n ARG 81 Ca 0.07 -1.52 -0.30 0.00 -0.77 0.00 0.00 57.85 55.33 2b63 n ARG 81 Cb 0.26 -0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.53 2b63 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2b63 s GLU 82 N 0.00 1.17 0.33 5.56 2.02 -1.26 -4.55 118.70 121.96 2b63 s GLU 82 Ca 0.20 -1.39 0.08 0.00 0.02 0.00 0.00 54.97 53.87 2b63 s GLU 82 Cb 0.22 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.80 2b63 s GLU 82 CO -0.10 -0.91 -0.06 -0.80 0.02 0.00 0.00 175.26 173.42 2b63 s ASN 83 N 1.29 3.27 -0.28 -0.19 0.01 -1.22 -2.31 114.94 115.51 2b63 s ASN 83 Ca 0.08 -1.23 0.01 0.00 -0.71 0.00 0.00 52.86 51.01 2b63 s ASN 83 Cb -0.18 -0.26 0.16 0.00 0.41 0.00 0.00 41.25 41.37 2b63 s ASN 83 CO -0.15 -0.32 0.41 0.54 -1.51 0.00 0.00 177.10 176.07 2b63 s VAL 84 N -2.83 -0.64 0.38 1.60 0.11 -1.22 -3.19 120.40 114.62 2b63 s VAL 84 Ca 0.32 -0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2b63 s VAL 84 Cb 0.04 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2b63 s VAL 84 CO 0.15 -0.25 0.45 0.72 -3.33 0.00 0.00 175.10 172.84 2b63 s PHE 85 N 2.55 2.87 0.00 1.54 -0.00 -1.17 -3.82 117.98 119.95 2b63 s PHE 85 Ca 0.10 -0.36 0.00 0.00 -0.00 0.00 0.00 56.93 56.67 2b63 s PHE 85 Cb -0.13 -2.13 0.00 0.00 -0.00 0.00 0.00 43.02 40.76 2b63 s PHE 85 CO -0.27 -0.14 0.00 1.97 -0.00 0.00 0.00 175.22 176.78 2b63 n PHE 86 N -1.64 -0.05 -4.58 3.49 1.16 -1.12 -4.40 117.46 110.33 2b63 n PHE 86 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 2b63 n PHE 86 Cb 0.60 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.38 2b63 n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2b63 s GLN 87 N 0.82 1.94 -0.23 3.97 -0.21 -1.26 -3.12 119.66 121.58 2b63 s GLN 87 Ca 0.00 -2.17 -0.31 0.00 0.02 0.00 0.00 55.36 52.89 2b63 s GLN 87 Cb 0.00 -1.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.88 2b63 s GLN 87 CO 0.00 -0.33 2.15 0.45 -2.12 0.00 0.00 175.29 175.44 2b63 n SER 88 N -1.11 2.97 0.00 5.90 2.88 -1.26 -4.80 113.62 118.20 2b63 n SER 88 Ca -0.09 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2b63 n SER 88 Cb 0.66 -1.43 0.01 0.00 -0.75 0.00 0.00 64.21 62.70 2b63 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b63 n GLN 89 N 8.19 0.33 -2.68 -1.46 1.13 -1.20 -4.48 117.38 117.22 2b63 n GLN 89 Ca 0.32 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.96 2b63 n GLN 89 Cb 0.35 -1.01 -0.03 0.00 0.11 0.00 0.00 30.24 29.66 2b63 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2b63 s GLN 90 N -2.00 3.32 -1.00 -1.09 0.74 -1.26 -4.93 119.66 113.44 2b63 s GLN 90 Ca 0.00 -0.80 -0.24 0.00 0.05 0.00 0.00 55.36 54.37 2b63 s GLN 90 Cb 0.00 -4.57 -0.08 0.00 1.10 0.00 0.00 33.01 29.46 2b63 s GLN 90 CO 0.00 -2.03 2.00 1.03 -0.55 0.00 0.00 175.29 175.73 2b63 s ARG 91 N 4.75 2.36 0.18 1.67 1.81 -1.26 -4.87 118.95 123.59 2b63 s ARG 91 Ca 0.34 -0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 2b63 s ARG 91 Cb -0.08 -5.09 -0.04 0.00 -0.45 0.00 0.00 34.95 29.29 2b63 s ARG 91 CO 0.05 -3.81 0.09 0.50 -0.68 0.00 0.00 175.30 171.45 2b63 s ARG 92 N 7.09 1.13 -0.10 3.54 3.52 -1.26 -5.10 118.95 127.77 2b63 s ARG 92 Ca 0.72 -1.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.67 2b63 s ARG 92 Cb -0.05 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.44 2b63 s ARG 92 CO 0.06 -0.32 0.21 0.87 -0.81 0.00 0.00 175.30 175.31 2b63 h LYS 93 N 2.67 -0.03 0.00 5.12 1.57 -2.04 -3.35 116.57 120.51 2b63 h LYS 93 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2b63 h LYS 93 Cb 1.23 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2b63 h LYS 93 CO 0.56 0.19 0.13 -0.40 -0.57 0.00 0.00 179.45 179.36 2b63 n ASP 94 N -4.77 0.47 -4.28 0.86 5.75 -1.26 -4.82 116.55 108.50 2b63 n ASP 94 Ca -0.03 0.68 -0.38 0.00 -0.01 0.00 0.00 54.79 55.05 2b63 n ASP 94 Cb 0.11 -0.70 0.02 0.00 -1.03 0.00 0.00 41.12 39.53 2b63 n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2b63 n THR 95 N -2.17 0.56 -2.75 2.12 -1.04 -1.26 -4.99 114.28 104.75 2b63 n THR 95 Ca -0.01 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 2b63 n THR 95 Cb 0.15 -0.19 0.06 0.00 -1.82 0.00 0.00 70.33 68.54 2b63 n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2b63 s SER 96 N -1.07 4.97 -0.41 8.00 1.04 -1.26 -5.05 113.70 119.92 2b63 s SER 96 Ca 0.58 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.69 2b63 s SER 96 Cb -0.44 -0.31 0.46 0.00 0.10 0.00 0.00 66.02 65.83 2b63 s SER 96 CO 0.65 -1.38 1.48 0.23 0.98 0.00 0.00 173.24 175.19 2b63 n MET 97 N -2.43 3.15 -2.34 4.02 2.81 -1.26 -4.72 117.12 116.35 2b63 n MET 97 Ca 0.12 -3.80 -0.32 0.00 -1.81 0.00 0.00 57.70 51.89 2b63 n MET 97 Cb 0.60 -2.23 -0.03 0.00 -0.71 0.00 0.00 33.22 30.85 2b63 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2b63 s VAL 98 N -4.53 4.59 0.00 2.03 1.01 -1.26 -5.06 120.40 117.18 2b63 s VAL 98 Ca 0.55 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2b63 s VAL 98 Cb 0.44 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2b63 s VAL 98 CO 0.02 -0.76 0.07 -0.76 0.00 0.00 0.00 175.10 173.67 2b63 s LEU 99 N -4.26 3.85 -0.16 3.92 1.43 -1.26 -4.41 118.68 117.80 2b63 s LEU 99 Ca 0.57 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2b63 s LEU 99 Cb -0.10 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2b63 s LEU 99 CO 0.35 0.27 -0.19 -0.36 0.23 0.00 0.00 176.35 176.65 2b63 s PHE 100 N -1.19 2.74 0.51 0.29 0.40 -1.18 -2.48 117.98 117.06 2b63 s PHE 100 Ca 0.23 -1.31 0.05 0.00 -0.60 0.00 0.00 56.93 55.30 2b63 s PHE 100 Cb -0.12 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2b63 s PHE 100 CO 0.14 -0.61 0.31 -0.06 0.70 0.00 0.00 175.22 175.70 2b63 s PHE 101 N 0.95 1.91 -0.04 0.36 0.40 -0.09 -2.79 117.98 118.67 2b63 s PHE 101 Ca -0.03 -0.79 -0.09 0.00 -0.60 0.00 0.00 56.93 55.42 2b63 s PHE 101 Cb -0.15 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2b63 s PHE 101 CO -0.04 -0.25 0.21 0.08 0.70 0.00 0.00 175.22 175.93 2b63 s VAL 102 N -2.73 0.04 -0.06 -0.44 1.01 -1.25 -3.26 120.40 113.70 2b63 s VAL 102 Ca 0.32 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2b63 s VAL 102 Cb -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2b63 s VAL 102 CO 0.19 -0.18 0.28 0.00 0.00 0.00 0.00 175.10 175.40 2b63 n LEU 104 N 1.99 0.73 -2.41 0.00 4.77 -0.98 -1.51 117.00 119.60 2b63 n LEU 104 Ca -0.16 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 2b63 n LEU 104 Cb 0.53 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2b63 n LEU 104 CO 0.35 -0.08 0.44 -1.20 -1.33 0.00 0.00 177.39 175.57 2b63 n SER 105 N -2.16 5.31 0.00 -1.43 7.64 -1.26 -4.73 113.62 117.00 2b63 n SER 105 Ca 0.04 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.17 2b63 n SER 105 Cb 0.44 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2b63 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b63 n SER 107 N 0.00 -2.32 -4.56 0.00 7.64 -0.57 -4.99 113.62 108.83 2b63 n SER 107 Ca 0.00 -0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.29 2b63 n SER 107 Cb 0.00 -2.37 -0.11 0.00 -1.01 0.00 0.00 64.21 60.71 2b63 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2b63 s HIS 108 N -3.14 3.08 -1.20 1.43 5.65 -1.26 -4.87 115.29 114.98 2b63 s HIS 108 Ca 0.04 -0.13 -0.11 0.00 0.25 0.00 0.00 55.06 55.11 2b63 s HIS 108 Cb -0.02 -1.94 0.20 0.00 -1.18 0.00 0.00 32.58 29.65 2b63 s HIS 108 CO 0.30 0.10 1.47 -0.89 -0.65 0.00 0.00 174.74 175.07 2b63 n ILE 109 N 3.23 4.43 -2.85 0.89 5.41 -1.26 -3.51 119.36 125.70 2b63 n ILE 109 Ca -0.17 -4.89 -0.24 0.00 1.00 0.00 0.00 62.75 58.45 2b63 n ILE 109 Cb 0.53 -2.44 0.02 0.00 -0.71 0.00 0.00 39.64 37.04 2b63 n ILE 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2b63 s PHE 110 N 0.41 3.21 0.30 1.39 -0.00 -1.20 -4.85 117.98 117.23 2b63 s PHE 110 Ca 0.39 0.30 0.06 0.00 -0.00 0.00 0.00 56.93 57.67 2b63 s PHE 110 Cb -0.01 -2.42 -0.06 0.00 -0.00 0.00 0.00 43.02 40.53 2b63 s PHE 110 CO -0.00 -0.48 -0.03 0.99 -0.00 0.00 0.00 175.22 175.70 2b63 s THR 111 N -2.65 1.57 -0.24 -4.49 2.01 -1.26 -0.91 115.64 109.67 2b63 s THR 111 Ca 0.50 -2.09 0.13 0.00 0.31 0.00 0.00 61.69 60.55 2b63 s THR 111 Cb -0.10 -2.58 0.58 0.00 0.01 0.00 0.00 72.50 70.41 2b63 s THR 111 CO 0.39 -0.21 1.52 -1.54 -0.69 0.00 0.00 174.62 174.10 2b63 n SER 112 N -0.64 3.81 -4.76 3.53 3.41 -1.04 -5.00 113.62 112.93 2b63 n SER 112 Ca -0.05 -3.23 -0.37 0.00 -0.26 0.00 0.00 58.87 54.96 2b63 n SER 112 Cb 0.64 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2b63 n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b63 s ASP 113 N -1.86 5.71 -0.37 4.04 -1.08 -1.26 -4.87 116.67 116.98 2b63 s ASP 113 Ca 0.46 2.39 0.13 0.00 -0.52 0.00 0.00 52.55 55.01 2b63 s ASP 113 Cb 0.38 -2.61 0.44 0.00 -1.46 0.00 0.00 42.92 39.68 2b63 s ASP 113 CO 0.08 -1.24 1.00 0.00 0.52 0.00 0.00 175.17 175.54 2b63 n GLN 114 N -0.96 1.99 0.03 4.34 6.02 -1.26 -4.81 117.38 122.75 2b63 n GLN 114 Ca 0.10 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.36 2b63 n GLN 114 Cb 0.48 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2b63 n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2b63 n LYS 115 N -0.21 0.00 -2.99 -1.09 5.02 -1.26 -5.15 118.16 112.48 2b63 n LYS 115 Ca 0.20 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 2b63 n LYS 115 Cb 0.75 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.78 2b63 n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2b63 s ASN 116 N -2.00 5.62 -0.07 4.39 0.01 -1.26 -5.13 114.94 116.50 2b63 s ASN 116 Ca 0.00 -0.42 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 2b63 s ASN 116 Cb 0.00 -0.63 0.04 0.00 0.41 0.00 0.00 41.25 41.07 2b63 s ASN 116 CO 0.00 -0.80 0.13 -0.54 -1.51 0.00 0.00 177.10 174.37 2b63 s LYS 117 N -4.38 0.01 0.12 -0.60 1.02 -1.26 -4.88 119.74 109.77 2b63 s LYS 117 Ca 0.55 0.47 0.09 0.00 0.02 0.00 0.00 55.97 57.10 2b63 s LYS 117 Cb -0.10 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2b63 s LYS 117 CO 0.34 -0.28 -0.21 1.03 -0.92 0.00 0.00 175.35 175.30 2b63 s ARG 118 N 2.01 1.21 0.00 1.68 0.52 -1.26 -4.99 118.95 118.12 2b63 s ARG 118 Ca 0.01 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.04 2b63 s ARG 118 Cb -0.12 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.85 2b63 s ARG 118 CO -0.05 0.33 0.41 2.41 0.02 0.00 0.00 175.30 178.42 2b63 n THR 119 N 0.87 0.00 0.38 0.02 -1.04 -1.26 -4.95 114.28 108.29 2b63 n THR 119 Ca -0.18 -0.38 0.05 0.00 -2.04 0.00 0.00 64.05 61.50 2b63 n THR 119 Cb 0.54 1.04 0.04 0.00 -1.82 0.00 0.00 70.33 70.13 2b63 n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43