#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di4 s ALA 8 N nan 3.63 0.84 0.00 0.00 -1.26 -5.08 121.76 nan 3di4 s ALA 8 Ca nan -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 nan 3di4 s ALA 8 Cb nan -1.68 0.10 0.00 0.00 0.00 0.00 23.12 nan 3di4 s ALA 8 CO nan 0.66 1.11 -1.25 0.00 0.00 0.00 175.76 nan 3di4 s PRO 9 N -1.45 1.71 0.59 0.00 0.04 -1.26 -4.89 135.00 129.74 3di4 s PRO 9 Ca 0.20 1.26 0.36 0.00 0.04 0.00 0.00 61.00 62.85 3di4 s PRO 9 Cb -0.12 -1.83 1.84 0.00 0.04 0.00 0.00 34.50 34.43 3di4 s PRO 9 CO 0.10 -2.06 2.18 1.37 0.04 0.00 0.00 177.00 178.64 3di4 h LEU 10 N -1.44 0.00 -3.61 -3.56 8.10 -2.07 -0.84 115.31 111.89 3di4 h LEU 10 Ca -0.44 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.42 3di4 h LEU 10 Cb 1.25 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.39 3di4 h LEU 10 CO 0.48 0.04 0.15 -0.90 -4.11 0.00 0.00 178.44 174.10 3di4 n ASP 11 N -3.32 4.78 -0.22 0.17 5.75 -1.26 -4.65 116.55 117.79 3di4 n ASP 11 Ca -0.02 -3.16 0.03 0.00 -0.01 0.00 0.00 54.79 51.63 3di4 n ASP 11 Cb 0.18 -0.70 0.14 0.00 -1.03 0.00 0.00 41.12 39.71 3di4 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3di4 h ALA 12 N 2.75 0.78 -0.88 2.12 0.00 -1.49 -1.85 119.26 120.69 3di4 h ALA 12 Ca 0.16 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3di4 h ALA 12 Cb 2.09 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.08 3di4 h ALA 12 CO 0.59 -0.35 0.58 -0.44 0.00 0.00 0.00 179.25 179.63 3di4 h ASP 13 N 0.22 1.00 -0.48 0.00 3.32 -1.84 -0.22 116.42 118.43 3di4 h ASP 13 Ca 0.36 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3di4 h ASP 13 Cb 0.59 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3di4 h ASP 13 CO -0.49 0.72 0.13 0.00 -1.72 0.00 0.00 179.24 177.89 3di4 h ALA 14 N 1.33 0.63 -0.47 3.45 0.00 -1.74 -1.17 119.26 121.29 3di4 h ALA 14 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3di4 h ALA 14 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3di4 h ALA 14 CO -0.07 0.31 0.28 0.00 0.00 0.00 0.00 179.25 179.76 3di4 h ARG 15 N 0.65 0.64 0.00 0.00 3.08 -0.71 -2.04 114.38 116.00 3di4 h ARG 15 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3di4 h ARG 15 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3di4 h ARG 15 CO -0.00 0.48 -0.23 0.00 -1.07 0.00 0.00 179.97 179.15 3di4 h ARG 16 N 0.62 0.00 0.00 0.04 3.08 -0.89 -3.12 114.38 114.11 3di4 h ARG 16 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3di4 h ARG 16 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3di4 h ARG 16 CO -0.03 0.23 -0.27 0.00 -1.07 0.00 0.00 179.97 178.84 3di4 h ALA 17 N 1.77 0.83 -2.10 0.04 0.00 -0.49 -3.46 119.26 115.84 3di4 h ALA 17 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3di4 h ALA 17 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.37 3di4 h ALA 17 CO 0.03 0.00 0.70 0.28 0.00 0.00 0.00 179.25 180.26 3di4 n VAL 18 N -2.35 0.01 -2.73 0.00 0.31 -1.03 -4.91 118.33 107.62 3di4 n VAL 18 Ca 0.04 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.02 3di4 n VAL 18 Cb 0.45 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 3di4 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3di4 s LYS 19 N 0.82 4.28 0.58 5.55 1.02 -1.26 -5.03 119.74 125.70 3di4 s LYS 19 Ca 0.81 1.28 -0.19 0.00 0.02 0.00 0.00 55.97 57.89 3di4 s LYS 19 Cb -0.76 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3di4 s LYS 19 CO 0.41 0.00 1.18 -2.14 -0.92 0.00 0.00 175.35 173.88 3di4 s PRO 20 N -2.72 3.09 -0.12 -1.68 0.02 -1.26 -5.04 135.00 127.29 3di4 s PRO 20 Ca 0.58 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.37 3di4 s PRO 20 Cb -0.15 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3di4 s PRO 20 CO 0.20 -1.09 -0.14 0.08 -0.33 0.00 0.00 177.00 175.71 3di4 s VAL 21 N -1.64 1.46 0.20 3.83 1.01 -1.26 -5.11 120.40 118.88 3di4 s VAL 21 Ca 0.76 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 3di4 s VAL 21 Cb -0.28 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 3di4 s VAL 21 CO 0.31 0.44 1.46 -0.63 0.00 0.00 0.00 175.10 176.67 3di4 s ILE 22 N 1.26 2.80 0.08 2.22 1.01 -1.26 -4.92 121.20 122.40 3di4 s ILE 22 Ca -0.01 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 3di4 s ILE 22 Cb -0.14 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3di4 s ILE 22 CO -0.06 0.08 1.47 0.00 0.00 0.00 0.00 174.94 176.43 3di4 s TYR 24 N -4.73 2.39 0.60 0.00 2.02 -1.26 -5.11 117.35 111.26 3di4 s TYR 24 Ca -0.13 -2.72 -0.19 0.00 -0.37 0.00 0.00 57.07 53.65 3di4 s TYR 24 Cb 0.07 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3di4 s TYR 24 CO 0.77 -0.73 1.29 -2.14 -1.57 0.00 0.00 175.55 173.16 3di4 s PRO 25 N -0.17 2.87 0.36 -1.71 0.02 -1.26 -4.88 135.00 130.23 3di4 s PRO 25 Ca 0.21 2.05 0.09 0.00 0.02 0.00 0.00 61.00 63.37 3di4 s PRO 25 Cb -0.17 -2.01 0.82 0.00 0.02 0.00 0.00 34.50 33.17 3di4 s PRO 25 CO -0.06 -1.34 1.89 -0.91 -0.33 0.00 0.00 177.00 176.24 3di4 h ASN 26 N 0.95 0.63 0.50 2.53 2.35 -1.98 -0.98 115.58 119.59 3di4 h ASN 26 Ca -0.51 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3di4 h ASN 26 Cb 1.31 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3di4 h ASN 26 CO 0.55 0.34 0.00 -0.90 -1.65 0.00 0.00 177.43 175.77 3di4 n ASP 27 N -4.54 0.00 0.07 5.81 5.68 -1.26 -1.84 116.55 120.47 3di4 n ASP 27 Ca 0.16 0.27 0.12 0.00 -0.50 0.00 0.00 54.79 54.85 3di4 n ASP 27 Cb 0.44 -0.40 0.27 0.00 -1.14 0.00 0.00 41.12 40.29 3di4 n ASP 27 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3di4 n SER 28 N -1.40 0.70 -4.85 -1.12 3.41 -0.37 -4.92 113.62 105.07 3di4 n SER 28 Ca 0.07 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.62 3di4 n SER 28 Cb 0.18 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3di4 n SER 28 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3di4 s LEU 29 N -4.22 3.99 0.51 1.04 1.43 -0.77 -5.03 118.68 115.63 3di4 s LEU 29 Ca 0.08 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.32 3di4 s LEU 29 Cb 0.13 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 3di4 s LEU 29 CO 0.67 -0.28 1.16 -2.16 0.23 0.00 0.00 176.35 175.97 3di4 s PRO 30 N -3.19 3.51 -0.35 1.29 0.04 -1.26 -4.98 135.00 130.07 3di4 s PRO 30 Ca 0.55 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 3di4 s PRO 30 Cb -0.10 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 3di4 s PRO 30 CO 0.19 -0.74 0.23 1.03 0.04 0.00 0.00 177.00 177.75 3di4 s ARG 31 N -3.00 3.32 0.65 4.56 0.52 -1.26 -5.08 118.95 118.66 3di4 s ARG 31 Ca 0.69 -0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 3di4 s ARG 31 Cb -0.27 -3.77 -0.01 0.00 0.52 0.00 0.00 34.95 31.42 3di4 s ARG 31 CO 0.32 -0.51 1.12 -1.25 0.02 0.00 0.00 175.30 175.00 3di4 s PRO 32 N 1.68 2.84 -1.25 3.54 0.04 -1.26 -4.93 135.00 135.65 3di4 s PRO 32 Ca 0.05 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 3di4 s PRO 32 Cb -0.18 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.56 3di4 s PRO 32 CO 0.09 -1.23 1.61 -3.47 0.04 0.00 0.00 177.00 174.05 3di4 n ASP 33 N -2.29 5.08 0.19 6.66 -0.08 -1.26 -4.77 116.55 120.09 3di4 n ASP 33 Ca 0.11 -2.99 0.03 0.00 -1.51 0.00 0.00 54.79 50.43 3di4 n ASP 33 Cb 0.52 -1.59 0.39 0.00 2.34 0.00 0.00 41.12 42.78 3di4 n ASP 33 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3di4 h LEU 34 N 9.88 0.02 -0.46 -2.67 5.85 -1.99 -1.73 115.31 124.20 3di4 h LEU 34 Ca 0.37 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 3di4 h LEU 34 Cb 0.81 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3di4 h LEU 34 CO 1.39 0.34 0.18 0.00 -0.34 0.00 0.00 178.44 180.01 3di4 h ALA 35 N 1.66 0.60 -0.21 1.25 0.00 -1.99 -0.30 119.26 120.26 3di4 h ALA 35 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3di4 h ALA 35 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3di4 h ALA 35 CO 0.04 0.20 0.08 1.25 0.00 0.00 0.00 179.25 180.83 3di4 h LEU 36 N 0.60 0.30 -0.61 0.00 5.85 -1.81 -1.57 115.31 118.06 3di4 h LEU 36 Ca 0.15 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3di4 h LEU 36 Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3di4 h LEU 36 CO -0.01 0.39 0.40 1.88 -0.34 0.00 0.00 178.44 180.75 3di4 h TYR 37 N 0.19 0.78 -0.64 1.25 0.05 -1.13 -1.17 116.97 116.30 3di4 h TYR 37 Ca 0.07 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3di4 h TYR 37 Cb 0.19 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3di4 h TYR 37 CO -0.01 0.50 0.10 0.00 -1.05 0.00 0.00 178.16 177.71 3di4 h ARG 38 N 0.83 1.06 -0.48 4.88 3.08 -0.92 0.88 114.38 123.71 3di4 h ARG 38 Ca 0.22 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3di4 h ARG 38 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3di4 h ARG 38 CO -0.05 0.98 0.10 0.00 -1.07 0.00 0.00 179.97 179.93 3di4 h ALA 39 N 1.03 0.63 -0.77 0.04 0.00 -1.06 -1.19 119.26 117.95 3di4 h ALA 39 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3di4 h ALA 39 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3di4 h ALA 39 CO 0.01 0.34 0.49 0.00 0.00 0.00 0.00 179.25 180.09 3di4 h ALA 40 N 0.98 0.99 -0.24 0.00 0.00 -1.02 -2.53 119.26 117.44 3di4 h ALA 40 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3di4 h ALA 40 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3di4 h ALA 40 CO 0.00 0.32 -0.15 -0.09 0.00 0.00 0.00 179.25 179.33 3di4 h ARG 41 N 0.98 0.41 0.00 0.00 9.65 -0.36 -2.28 114.38 122.78 3di4 h ARG 41 Ca 0.30 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3di4 h ARG 41 Cb -0.03 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 3di4 h ARG 41 CO -0.09 0.56 -0.23 0.00 2.80 0.00 0.00 179.97 183.00 3di4 h ALA 42 N 1.46 1.43 0.00 2.80 0.00 -0.81 -1.76 119.26 122.39 3di4 h ALA 42 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3di4 h ALA 42 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3di4 h ALA 42 CO 0.03 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3di4 n SER 43 N -4.00 0.64 -4.82 0.00 3.41 -0.87 -4.98 113.62 103.00 3di4 n SER 43 Ca -0.02 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 58.83 3di4 n SER 43 Cb 0.31 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 3di4 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3di4 s ALA 44 N -3.08 2.98 0.04 7.33 0.00 -0.66 -3.99 121.76 124.38 3di4 s ALA 44 Ca 0.11 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.47 3di4 s ALA 44 Cb 0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 3di4 s ALA 44 CO 0.58 -0.23 -0.17 -0.98 0.00 0.00 0.00 175.76 174.96 3di4 s ARG 45 N -3.71 2.12 0.25 0.00 3.03 -0.47 -4.89 118.95 115.27 3di4 s ARG 45 Ca 0.62 -0.96 -0.30 0.00 2.03 0.00 0.00 55.73 57.12 3di4 s ARG 45 Cb -0.11 -2.22 -0.10 0.00 -1.03 0.00 0.00 34.95 31.48 3di4 s ARG 45 CO 0.26 0.55 1.51 0.21 -1.13 0.00 0.00 175.30 176.69 3di4 s LYS 46 N -1.45 4.21 -0.00 3.89 2.20 -1.26 -0.70 119.74 126.63 3di4 s LYS 46 Ca 0.15 2.40 0.02 0.00 -0.36 0.00 0.00 55.97 58.18 3di4 s LYS 46 Cb -0.11 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3di4 s LYS 46 CO 0.06 -0.52 0.07 0.25 -0.36 0.00 0.00 175.35 174.85 3di4 n THR 47 N 2.51 0.00 0.00 3.43 -2.24 0.69 -4.89 114.28 113.78 3di4 n THR 47 Ca 0.08 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3di4 n THR 47 Cb 0.39 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3di4 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3di4 n GLY 48 N 1.36 -0.42 3.37 3.38 0.00 -1.20 -4.99 105.19 106.70 3di4 n GLY 48 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3di4 n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3di4 s GLU 49 N -2.00 1.12 -0.04 1.61 -1.05 -1.26 -1.32 118.70 115.76 3di4 s GLU 49 Ca 0.00 -0.52 -0.00 0.00 -0.15 0.00 0.00 54.97 54.30 3di4 s GLU 49 Cb 0.00 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 3di4 s GLU 49 CO 0.00 -0.45 -0.00 0.08 0.95 0.00 0.00 175.26 175.84 3di4 s VAL 50 N -3.45 0.27 -0.26 1.83 1.01 1.00 -4.99 120.40 115.80 3di4 s VAL 50 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 3di4 s VAL 50 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3di4 s VAL 50 CO -0.10 0.19 0.37 -0.22 0.00 0.00 0.00 175.10 175.34 3di4 s LEU 51 N 1.29 4.05 -0.37 3.92 2.96 -1.26 -0.40 118.68 128.87 3di4 s LEU 51 Ca -0.06 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 53.96 3di4 s LEU 51 Cb -0.13 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.14 3di4 s LEU 51 CO -0.02 -0.16 0.54 -0.69 -1.32 0.00 0.00 176.35 174.70 3di4 s VAL 52 N 1.97 4.98 0.77 1.68 1.01 0.54 -4.97 120.40 126.39 3di4 s VAL 52 Ca 0.15 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 3di4 s VAL 52 Cb -0.16 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.26 3di4 s VAL 52 CO 0.10 -0.31 1.11 -2.84 0.00 0.00 0.00 175.10 173.16 3di4 s PRO 53 N 2.48 2.12 0.30 2.72 0.02 -1.26 -1.79 135.00 139.59 3di4 s PRO 53 Ca 0.19 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 3di4 s PRO 53 Cb -0.15 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 3di4 s PRO 53 CO 0.14 -1.76 1.37 -0.35 -0.33 0.00 0.00 177.00 176.07 3di4 n PRO 54 N -3.39 2.18 -1.96 5.54 -0.04 -1.25 -2.18 135.00 133.90 3di4 n PRO 54 Ca 0.10 0.77 -0.17 0.00 -0.04 0.00 0.00 63.50 64.16 3di4 n PRO 54 Cb 0.52 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 3di4 n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3di4 n ARG 55 N 1.21 -1.29 -4.34 0.54 1.74 -0.51 -4.98 116.66 109.02 3di4 n ARG 55 Ca 0.07 0.95 -0.18 0.00 -0.77 0.00 0.00 57.85 57.93 3di4 n ARG 55 Cb 0.35 -5.31 -0.10 0.00 -1.02 0.00 0.00 32.46 26.38 3di4 n ARG 55 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3di4 s GLU 56 N -4.23 1.38 0.18 5.56 0.41 -0.93 -4.86 118.70 116.21 3di4 s GLU 56 Ca 0.00 -1.71 0.11 0.00 -0.41 0.00 0.00 54.97 52.96 3di4 s GLU 56 Cb 0.00 -0.63 -0.04 0.00 -1.78 0.00 0.00 34.13 31.68 3di4 s GLU 56 CO 0.00 -0.11 -0.22 0.20 -0.49 0.00 0.00 175.26 174.64 3di4 s GLY 57 N -3.33 1.70 -0.05 -1.39 0.00 -1.26 -1.23 107.32 101.77 3di4 s GLY 57 Ca 0.30 -1.59 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 3di4 s GLY 57 CO 0.10 -1.61 0.16 0.50 0.00 0.00 0.00 173.10 172.24 3di4 s ARG 58 N -2.63 0.25 0.30 2.90 1.81 -0.41 -4.66 118.95 116.52 3di4 s ARG 58 Ca 0.21 0.09 -0.07 0.00 -1.72 0.00 0.00 55.73 54.25 3di4 s ARG 58 Cb -0.08 0.12 -0.06 0.00 -0.45 0.00 0.00 34.95 34.48 3di4 s ARG 58 CO 0.10 -0.04 0.59 0.00 -0.68 0.00 0.00 175.30 175.27 3di4 s PHE 60 N -2.11 0.19 -0.08 0.00 -0.71 -0.35 -4.96 117.98 109.96 3di4 s PHE 60 Ca 0.46 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 3di4 s PHE 60 Cb -0.11 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 3di4 s PHE 60 CO 0.29 -0.36 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.53 3di4 s GLU 61 N -2.55 2.84 -0.04 1.99 2.02 -1.26 -0.01 118.70 121.69 3di4 s GLU 61 Ca -0.05 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3di4 s GLU 61 Cb -0.01 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.63 3di4 s GLU 61 CO -0.04 0.61 -0.03 0.08 0.02 0.00 0.00 175.26 175.91 3di4 s VAL 62 N -0.67 0.38 0.39 2.63 1.01 -0.60 -5.00 120.40 118.55 3di4 s VAL 62 Ca 0.10 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3di4 s VAL 62 Cb -0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 3di4 s VAL 62 CO 0.02 0.19 0.87 -0.54 0.00 0.00 0.00 175.10 175.64 3di4 s LYS 63 N 0.95 4.14 0.12 2.72 -0.14 -1.26 -0.57 119.74 125.69 3di4 s LYS 63 Ca -0.11 0.95 -0.35 0.00 -1.36 0.00 0.00 55.97 55.10 3di4 s LYS 63 Cb -0.14 -2.27 -0.16 0.00 -1.68 0.00 0.00 37.83 33.57 3di4 s LYS 63 CO -0.01 0.03 1.26 0.00 -0.76 0.00 0.00 175.35 175.88 3di4 n ALA 64 N -0.56 -1.01 -0.15 5.17 0.00 -1.22 -1.37 120.51 121.37 3di4 n ALA 64 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3di4 n ALA 64 Cb 0.54 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3di4 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3di4 n GLY 65 N 2.29 1.26 4.01 0.00 0.00 0.63 -4.93 105.19 108.44 3di4 n GLY 65 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3di4 n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di4 s GLN 66 N -0.51 2.09 0.09 1.61 -0.21 -0.47 -4.44 119.66 117.82 3di4 s GLN 66 Ca 0.00 -1.25 0.09 0.00 0.02 0.00 0.00 55.36 54.21 3di4 s GLN 66 Cb 0.00 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3di4 s GLN 66 CO 0.00 -1.07 -0.22 -0.06 -2.12 0.00 0.00 175.29 171.82 3di4 s PHE 67 N -2.87 1.93 -0.02 0.91 0.40 0.01 -0.59 117.98 117.75 3di4 s PHE 67 Ca 0.63 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 3di4 s PHE 67 Cb -0.06 -1.09 -0.00 0.00 0.51 0.00 0.00 43.02 42.37 3di4 s PHE 67 CO 0.41 0.19 -0.11 -0.59 0.70 0.00 0.00 175.22 175.82 3di4 s PHE 68 N -1.01 1.11 -0.06 0.36 -0.71 -0.28 -1.13 117.98 116.27 3di4 s PHE 68 Ca 0.08 -0.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.76 3di4 s PHE 68 Cb -0.10 -0.76 -0.02 0.00 -1.21 0.00 0.00 43.02 40.94 3di4 s PHE 68 CO 0.04 -0.09 -0.22 0.50 -1.34 0.00 0.00 175.22 174.11 3di4 s ARG 69 N 0.04 2.54 -0.21 1.99 3.52 0.45 -0.92 118.95 126.36 3di4 s ARG 69 Ca -0.01 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.71 3di4 s ARG 69 Cb -0.08 -2.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.07 3di4 s ARG 69 CO 0.00 0.45 -0.07 0.42 -0.81 0.00 0.00 175.30 175.30 3di4 s ILE 70 N -0.32 3.19 0.05 4.11 1.01 -0.18 -0.99 121.20 128.07 3di4 s ILE 70 Ca 0.02 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.19 3di4 s ILE 70 Cb -0.13 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3di4 s ILE 70 CO 0.02 0.44 -0.22 -0.44 0.00 0.00 0.00 174.94 174.74 3di4 s SER 71 N 1.41 3.52 0.06 3.58 0.01 0.18 -1.16 113.70 121.30 3di4 s SER 71 Ca 0.05 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 3di4 s SER 71 Cb -0.14 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 3di4 s SER 71 CO -0.04 0.25 1.05 -0.55 0.41 0.00 0.00 173.24 174.36 3di4 s SER 72 N -1.45 7.30 0.01 2.44 0.15 0.14 -1.81 113.70 120.48 3di4 s SER 72 Ca 0.14 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.63 3di4 s SER 72 Cb -0.10 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 3di4 s SER 72 CO 0.04 -0.27 -0.02 0.68 1.20 0.00 0.00 173.24 174.87 3di4 s VAL 73 N 0.65 0.08 0.00 4.45 -7.23 -1.26 -1.09 120.40 116.00 3di4 s VAL 73 Ca 0.52 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 3di4 s VAL 73 Cb -0.25 -0.15 0.00 0.00 0.56 0.00 0.00 36.38 36.55 3di4 s VAL 73 CO 0.30 -0.21 0.00 -0.62 -0.31 0.00 0.00 175.10 174.26 3di4 n GLU 74 N 2.42 0.00 -3.75 4.82 1.02 -1.26 -4.46 120.64 119.43 3di4 n GLU 74 Ca -0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.95 3di4 n GLU 74 Cb 0.58 -0.09 -0.00 0.00 -0.02 0.00 0.00 31.44 31.91 3di4 n GLU 74 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3di4 s GLY 75 N 0.00 -0.21 0.11 0.62 0.00 -1.26 -4.93 107.32 101.65 3di4 s GLY 75 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.61 3di4 s GLY 75 CO 0.00 0.82 1.47 -4.14 0.00 0.00 0.00 173.10 171.25 3di4 s PRO 76 N -2.74 4.27 -0.22 2.90 0.02 -1.26 -4.69 135.00 133.27 3di4 s PRO 76 Ca 0.16 2.17 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 3di4 s PRO 76 Cb 0.00 -3.31 0.06 0.00 0.02 0.00 0.00 34.50 31.28 3di4 s PRO 76 CO 0.01 -0.53 0.56 -1.14 -0.33 0.00 0.00 177.00 175.57 3di4 s GLN 77 N 1.46 0.61 0.12 5.54 2.00 -1.26 -3.43 119.66 124.70 3di4 s GLN 77 Ca 0.67 0.92 -0.02 0.00 -2.00 0.00 0.00 55.36 54.92 3di4 s GLN 77 Cb -0.38 0.18 -0.05 0.00 0.80 0.00 0.00 33.01 33.56 3di4 s GLN 77 CO 0.30 -0.12 0.31 0.14 -0.50 0.00 0.00 175.29 175.43 3di4 s VAL 78 N 0.97 5.26 0.10 1.34 -7.23 -0.49 -4.89 120.40 115.46 3di4 s VAL 78 Ca -0.05 -0.18 0.10 0.00 -1.81 0.00 0.00 61.98 60.03 3di4 s VAL 78 Cb -0.05 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 3di4 s VAL 78 CO -0.09 0.05 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.68 3di4 s GLY 79 N -2.56 1.41 -0.27 2.32 0.00 -0.07 -2.49 107.32 105.66 3di4 s GLY 79 Ca 0.38 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 3di4 s GLY 79 CO 0.26 -1.29 0.01 0.99 0.00 0.00 0.00 173.10 173.07 3di4 s ASP 80 N -1.78 4.72 -0.14 1.64 1.11 -0.03 0.04 116.67 122.24 3di4 s ASP 80 Ca 0.11 -0.74 -0.05 0.00 0.18 0.00 0.00 52.55 52.04 3di4 s ASP 80 Cb -0.10 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 3di4 s ASP 80 CO 0.04 -0.15 0.05 -0.22 1.18 0.00 0.00 175.17 176.07 3di4 s LEU 81 N 1.43 3.79 0.16 1.23 2.96 -0.24 -1.36 118.68 126.64 3di4 s LEU 81 Ca 0.02 0.16 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 3di4 s LEU 81 Cb -0.17 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3di4 s LEU 81 CO -0.01 0.29 -0.24 0.20 -1.32 0.00 0.00 176.35 175.27 3di4 s ASN 82 N -0.32 3.20 -0.01 3.68 0.02 0.49 -1.67 114.94 120.33 3di4 s ASN 82 Ca 0.08 -0.80 0.01 0.00 -1.02 0.00 0.00 52.86 51.13 3di4 s ASN 82 Cb -0.12 -0.22 0.00 0.00 0.02 0.00 0.00 41.25 40.93 3di4 s ASN 82 CO 0.02 0.12 -0.03 -0.76 0.02 0.00 0.00 177.10 176.47 3di4 s LEU 83 N -2.36 1.92 0.10 0.60 1.43 -1.26 -1.41 118.68 117.69 3di4 s LEU 83 Ca 0.16 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3di4 s LEU 83 Cb -0.09 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 3di4 s LEU 83 CO 0.07 0.02 -0.17 -1.00 0.23 0.00 0.00 176.35 175.50 3di4 s HIS 84 N 0.05 1.53 0.01 0.29 3.76 0.15 -1.19 115.29 119.88 3di4 s HIS 84 Ca -0.00 -0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.14 3di4 s HIS 84 Cb -0.02 -0.83 -0.10 0.00 1.11 0.00 0.00 32.58 32.74 3di4 s HIS 84 CO -0.00 0.15 1.94 -1.71 -0.85 0.00 0.00 174.74 174.27 3di4 n ASN 85 N 1.00 3.97 -0.21 1.40 2.85 -0.16 -0.55 115.26 123.57 3di4 n ASN 85 Ca -0.19 0.93 0.20 0.00 -0.11 0.00 0.00 54.58 55.40 3di4 n ASN 85 Cb 0.55 -1.49 0.55 0.00 1.24 0.00 0.00 39.78 40.63 3di4 n ASN 85 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3di4 h LEU 86 N 10.10 0.33 -2.11 1.20 5.85 -1.40 -1.24 115.31 128.04 3di4 h LEU 86 Ca -0.49 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3di4 h LEU 86 Cb 1.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3di4 h LEU 86 CO 0.94 0.14 0.00 1.41 -0.34 0.00 0.00 178.44 180.59 3di4 n HIS 87 N -4.47 0.23 -3.16 1.25 8.25 -1.26 -4.74 115.22 111.32 3di4 n HIS 87 Ca 0.18 -0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.54 3di4 n HIS 87 Cb 0.70 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 3di4 n HIS 87 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3di4 s ASP 88 N -1.71 -1.46 0.61 0.41 2.15 -0.47 -5.03 116.67 111.17 3di4 s ASP 88 Ca 0.32 -0.44 0.39 0.00 0.43 0.00 0.00 52.55 53.25 3di4 s ASP 88 Cb 0.21 1.87 1.92 0.00 -0.30 0.00 0.00 42.92 46.62 3di4 s ASP 88 CO 0.30 -0.20 2.20 -0.07 -0.17 0.00 0.00 175.17 177.23 3di4 h LEU 89 N 7.19 0.00 -1.64 -1.34 3.38 -1.84 -1.47 115.31 119.59 3di4 h LEU 89 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3di4 h LEU 89 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3di4 h LEU 89 CO 0.10 0.01 -0.15 0.71 0.09 0.00 0.00 178.44 179.20 3di4 h THR 90 N 0.00 1.12 -3.43 0.22 1.35 -1.96 -3.39 112.91 106.83 3di4 h THR 90 Ca -0.00 -0.58 -0.60 0.00 -0.55 0.00 0.00 66.41 64.69 3di4 h THR 90 Cb 0.23 1.28 -0.09 0.00 -1.73 0.00 0.00 68.15 67.84 3di4 h THR 90 CO 0.00 0.17 0.54 -0.70 -0.25 0.00 0.00 175.52 175.28 3di4 s GLU 91 N -4.70 3.94 0.21 4.72 2.12 -0.55 -4.93 118.70 119.49 3di4 s GLU 91 Ca -0.04 0.67 -0.10 0.00 0.36 0.00 0.00 54.97 55.85 3di4 s GLU 91 Cb 0.16 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3di4 s GLU 91 CO 0.70 -0.81 0.37 -0.98 -0.54 0.00 0.00 175.26 174.01 3di4 s ARG 92 N 3.24 1.35 0.24 4.30 1.04 -1.26 -0.99 118.95 126.88 3di4 s ARG 92 Ca 0.36 -1.23 -0.31 0.00 -1.04 0.00 0.00 55.73 53.51 3di4 s ARG 92 Cb -0.13 0.42 -0.13 0.00 -2.04 0.00 0.00 34.95 33.06 3di4 s ARG 92 CO 0.15 -0.53 1.40 0.34 -0.04 0.00 0.00 175.30 176.62 3di4 n PHE 93 N -0.30 2.16 -3.91 5.89 7.35 -0.33 -1.01 117.46 127.30 3di4 n PHE 93 Ca -0.04 0.44 -0.31 0.00 -0.76 0.00 0.00 57.45 56.77 3di4 n PHE 93 Cb 0.63 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.87 3di4 n PHE 93 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3di4 s PHE 94 N -0.10 3.29 0.25 -5.13 5.36 0.74 -4.69 117.98 117.70 3di4 s PHE 94 Ca 0.68 -3.06 -0.04 0.00 -0.96 0.00 0.00 56.93 53.54 3di4 s PHE 94 Cb -0.65 -2.91 0.38 0.00 -0.34 0.00 0.00 43.02 39.50 3di4 s PHE 94 CO 0.50 -0.79 1.83 1.03 -1.46 0.00 0.00 175.22 176.34 3di4 h SER 95 N 6.74 0.77 -0.39 6.13 0.87 -1.83 -2.44 113.55 123.40 3di4 h SER 95 Ca -0.06 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3di4 h SER 95 Cb 0.92 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3di4 h SER 95 CO 0.68 0.47 0.09 1.23 -0.53 0.00 0.00 176.83 178.77 3di4 h GLY 96 N 0.90 0.67 1.81 5.77 0.00 -1.93 0.14 103.07 110.42 3di4 h GLY 96 Ca 0.39 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 3di4 h GLY 96 CO -0.21 0.40 -0.86 1.70 0.00 0.00 0.00 176.54 177.56 3di4 h LYS 97 N 0.49 0.17 -0.68 4.80 1.63 -1.93 -1.61 116.57 119.44 3di4 h LYS 97 Ca 0.12 -0.19 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 3di4 h LYS 97 Cb 0.31 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 3di4 h LYS 97 CO 0.00 0.93 0.39 1.15 -3.45 0.00 0.00 179.45 178.47 3di4 h THR 98 N 0.10 0.99 -0.35 1.00 2.02 -1.15 -0.29 112.91 115.23 3di4 h THR 98 Ca -0.04 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3di4 h THR 98 Cb 1.48 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3di4 h THR 98 CO 0.13 0.13 0.16 -0.09 0.37 0.00 0.00 175.52 176.22 3di4 h ARG 99 N 0.72 0.51 -0.81 6.66 2.43 -0.60 0.27 114.38 123.56 3di4 h ARG 99 Ca 0.30 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3di4 h ARG 99 Cb 0.17 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3di4 h ARG 99 CO -0.17 0.47 0.39 0.00 -1.51 0.00 0.00 179.97 179.15 3di4 h ALA 100 N 1.01 1.16 0.06 2.80 0.00 -0.82 0.13 119.26 123.60 3di4 h ALA 100 Ca 0.12 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 3di4 h ALA 100 Cb 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3di4 h ALA 100 CO -0.01 0.64 -1.08 -0.07 0.00 0.00 0.00 179.25 178.72 3di4 h LEU 101 N 1.15 0.85 0.00 0.00 3.38 -0.90 -3.41 115.31 116.38 3di4 h LEU 101 Ca 0.28 -0.79 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 3di4 h LEU 101 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3di4 h LEU 101 CO -0.04 1.54 -1.60 1.41 0.09 0.00 0.00 178.44 179.85 3di4 n HIS 102 N -3.88 0.00 0.00 1.13 8.25 0.07 -4.86 115.22 115.93 3di4 n HIS 102 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3di4 n HIS 102 Cb 0.91 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3di4 n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3di4 n GLY 103 N 2.84 0.67 0.26 -1.41 0.00 0.45 -4.85 105.19 103.15 3di4 n GLY 103 Ca -0.17 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 43.86 3di4 n GLY 103 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3di4 h THR 104 N 0.00 0.78 -4.18 2.61 1.35 -1.93 -3.37 112.91 108.17 3di4 h THR 104 Ca 0.00 -0.30 -0.13 0.00 -0.55 0.00 0.00 66.41 65.43 3di4 h THR 104 Cb 0.00 1.18 -0.16 0.00 -1.73 0.00 0.00 68.15 67.43 3di4 h THR 104 CO 0.00 0.08 -0.68 -1.00 -0.25 0.00 0.00 175.52 173.66 3di4 s HIS 105 N -4.60 0.46 0.17 4.73 3.76 -1.26 -1.09 115.29 117.46 3di4 s HIS 105 Ca -0.04 -0.95 0.11 0.00 -0.15 0.00 0.00 55.06 54.03 3di4 s HIS 105 Cb 0.15 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 3di4 s HIS 105 CO 0.62 -0.34 -0.24 0.14 -0.85 0.00 0.00 174.74 174.07 3di4 s VAL 106 N -3.38 2.24 0.15 -0.90 -7.23 -0.36 -4.94 120.40 105.97 3di4 s VAL 106 Ca 0.02 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 3di4 s VAL 106 Cb 0.04 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.95 3di4 s VAL 106 CO -0.08 -0.10 0.24 1.07 -0.31 0.00 0.00 175.10 175.93 3di4 n THR 107 N 0.44 0.00 -1.58 5.32 5.66 -1.26 -4.73 114.28 118.13 3di4 n THR 107 Ca -0.14 -0.63 -0.55 0.00 -3.05 0.00 0.00 64.05 59.68 3di4 n THR 107 Cb 0.55 0.44 -0.07 0.00 -1.55 0.00 0.00 70.33 69.71 3di4 n THR 107 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3di4 n THR 108 N -0.23 0.02 0.00 1.09 -1.04 -1.26 -1.90 114.28 110.96 3di4 n THR 108 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3di4 n THR 108 Cb 0.24 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 3di4 n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3di4 n GLY 109 N 2.39 0.85 3.95 3.41 0.00 0.28 -5.00 105.19 111.07 3di4 n GLY 109 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3di4 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3di4 s GLU 110 N -0.83 3.01 0.14 1.61 2.02 -0.80 -4.78 118.70 119.08 3di4 s GLU 110 Ca 0.00 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.63 3di4 s GLU 110 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 3di4 s GLU 110 CO 0.00 -0.35 -0.25 1.03 0.02 0.00 0.00 175.26 175.71 3di4 s ARG 111 N -4.61 1.40 -0.34 1.61 1.81 -1.26 -1.06 118.95 116.49 3di4 s ARG 111 Ca 0.50 -1.37 -0.16 0.00 -1.72 0.00 0.00 55.73 52.97 3di4 s ARG 111 Cb -0.10 -1.82 -0.01 0.00 -0.45 0.00 0.00 34.95 32.57 3di4 s ARG 111 CO 0.39 0.42 0.39 -0.51 -0.68 0.00 0.00 175.30 175.31 3di4 s LEU 112 N -2.21 4.39 0.14 2.53 1.43 -0.35 -4.92 118.68 119.70 3di4 s LEU 112 Ca 0.15 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3di4 s LEU 112 Cb -0.09 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 3di4 s LEU 112 CO 0.07 -0.36 0.41 0.26 0.23 0.00 0.00 176.35 176.96 3di4 s TRP 113 N 2.09 3.48 0.62 0.29 0.52 -1.26 -3.26 118.94 121.42 3di4 s TRP 113 Ca 0.13 0.65 -0.07 0.00 0.02 0.00 0.00 56.10 56.83 3di4 s TRP 113 Cb -0.16 -2.07 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3di4 s TRP 113 CO 0.12 0.42 0.95 -1.54 0.02 0.00 0.00 176.95 176.92 3di4 s SER 114 N -2.30 5.59 0.85 2.95 1.04 -0.14 -0.19 113.70 121.50 3di4 s SER 114 Ca 0.41 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 3di4 s SER 114 Cb -0.12 -1.79 0.10 0.00 0.10 0.00 0.00 66.02 64.31 3di4 s SER 114 CO 0.23 -1.11 1.09 0.54 0.98 0.00 0.00 173.24 174.97 3di4 s ASN 115 N -4.31 3.88 0.41 7.02 4.22 -0.18 -3.68 114.94 122.30 3di4 s ASN 115 Ca 0.55 1.54 -0.25 0.00 -2.14 0.00 0.00 52.86 52.56 3di4 s ASN 115 Cb -0.11 -2.24 -0.08 0.00 1.28 0.00 0.00 41.25 40.10 3di4 s ASN 115 CO 0.47 -2.39 1.22 -0.76 -2.04 0.00 0.00 177.10 173.60 3di4 s LEU 116 N -6.08 4.18 0.00 3.54 1.43 -1.26 -0.64 118.68 119.85 3di4 s LEU 116 Ca 0.62 2.47 0.16 0.00 -1.03 0.00 0.00 54.13 56.35 3di4 s LEU 116 Cb -0.17 -4.00 0.54 0.00 0.03 0.00 0.00 46.19 42.59 3di4 s LEU 116 CO 0.56 -0.79 1.41 -0.81 0.23 0.00 0.00 176.35 176.95 3di4 n PRO 117 N 0.02 1.76 0.03 1.29 -0.04 -1.26 -4.89 135.00 131.90 3di4 n PRO 117 Ca 0.04 -1.16 -0.20 0.00 -0.04 0.00 0.00 63.50 62.15 3di4 n PRO 117 Cb 0.45 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 3di4 n PRO 117 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3di4 h TYR 118 N 2.10 1.06 -1.51 0.54 0.05 -1.20 -3.38 116.97 114.63 3di4 h TYR 118 Ca 0.00 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.22 3di4 h TYR 118 Cb 0.47 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3di4 h TYR 118 CO 0.17 1.40 0.00 -0.11 -1.05 0.00 0.00 178.16 178.56 3di4 n LEU 119 N -3.87 0.00 -4.10 3.88 7.94 -0.26 -0.45 117.00 120.15 3di4 n LEU 119 Ca -0.11 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.70 3di4 n LEU 119 Cb 0.86 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.72 3di4 n LEU 119 CO 0.56 0.00 -0.21 0.00 -1.11 0.00 0.00 177.39 176.63 3di4 s ARG 120 N 0.00 1.02 1.21 1.96 1.70 -1.26 -4.03 118.95 119.54 3di4 s ARG 120 Ca 0.00 -1.37 -0.18 0.00 -0.47 0.00 0.00 55.73 53.70 3di4 s ARG 120 Cb 0.00 0.29 0.29 0.00 -0.57 0.00 0.00 34.95 34.95 3di4 s ARG 120 CO 0.00 -0.32 1.08 -2.14 -1.08 0.00 0.00 175.30 172.83 3di4 s PRO 121 N -4.03 -1.24 0.69 3.89 0.02 -1.26 -0.97 135.00 132.09 3di4 s PRO 121 Ca 0.23 0.09 -0.16 0.00 0.02 0.00 0.00 61.00 61.18 3di4 s PRO 121 Cb 0.06 -1.58 0.02 0.00 0.02 0.00 0.00 34.50 33.02 3di4 s PRO 121 CO 0.02 -3.76 1.24 0.00 -0.33 0.00 0.00 177.00 174.17 3di4 s ALA 123 N -2.86 2.24 -0.07 -1.55 0.00 -1.20 -4.56 121.76 113.76 3di4 s ALA 123 Ca 0.70 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.72 3di4 s ALA 123 Cb -0.12 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3di4 s ALA 123 CO 0.57 -1.72 -0.21 0.99 0.00 0.00 0.00 175.76 175.38 3di4 s THR 124 N -1.73 1.80 -0.17 0.00 2.01 -0.02 -1.21 115.64 116.31 3di4 s THR 124 Ca 0.78 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 3di4 s THR 124 Cb -0.32 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 3di4 s THR 124 CO 0.42 0.50 1.09 -0.63 -0.69 0.00 0.00 174.62 175.31 3di4 s ILE 125 N 0.11 4.60 -0.12 1.82 1.01 -0.22 -0.41 121.20 127.98 3di4 s ILE 125 Ca -0.09 1.91 0.14 0.00 0.00 0.00 0.00 60.65 62.61 3di4 s ILE 125 Cb -0.14 -4.23 -0.21 0.00 0.01 0.00 0.00 42.46 37.88 3di4 s ILE 125 CO 0.05 -0.11 0.35 2.30 0.00 0.00 0.00 174.94 177.53 3di4 n ILE 126 N 5.09 0.00 -3.74 2.92 -5.35 0.20 -0.56 119.36 117.93 3di4 n ILE 126 Ca 0.11 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3di4 n ILE 126 Cb 0.46 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.56 3di4 n ILE 126 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3di4 s GLU 127 N -2.88 0.46 -0.23 6.28 0.41 -1.08 -4.87 118.70 116.79 3di4 s GLU 127 Ca -0.04 0.56 -0.04 0.00 -0.41 0.00 0.00 54.97 55.04 3di4 s GLU 127 Cb 0.09 0.22 0.08 0.00 -1.78 0.00 0.00 34.13 32.74 3di4 s GLU 127 CO 0.59 -0.06 0.11 0.34 -0.49 0.00 0.00 175.26 175.75 3di4 s ASP 128 N 0.25 2.91 0.24 -0.19 2.15 -1.26 -0.87 116.67 119.89 3di4 s ASP 128 Ca -0.00 -0.94 0.22 0.00 0.43 0.00 0.00 52.55 52.25 3di4 s ASP 128 Cb -0.03 -0.27 0.95 0.00 -0.30 0.00 0.00 42.92 43.26 3di4 s ASP 128 CO 0.00 -0.39 1.66 0.35 -0.17 0.00 0.00 175.17 176.61 3di4 n THR 129 N 5.27 0.91 -0.57 1.71 -2.24 -0.61 -0.81 114.28 117.94 3di4 n THR 129 Ca -0.06 0.32 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 3di4 n THR 129 Cb 0.46 -1.25 0.36 0.00 -2.10 0.00 0.00 70.33 67.79 3di4 n THR 129 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3di4 n LEU 130 N -2.15 4.78 0.23 3.22 4.77 -1.26 -4.52 117.00 122.07 3di4 n LEU 130 Ca 0.02 -2.41 0.18 0.00 -0.03 0.00 0.00 56.01 53.76 3di4 n LEU 130 Cb 0.19 -0.59 0.86 0.00 -2.33 0.00 0.00 43.42 41.54 3di4 n LEU 130 CO 0.17 0.75 1.15 1.23 -1.33 0.00 0.00 177.39 179.37 3di4 h GLY 131 N 4.24 0.00 2.00 -0.72 0.00 -1.36 -0.55 103.07 106.68 3di4 h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3di4 h GLY 131 CO 0.27 0.00 0.00 0.11 0.00 0.00 0.00 176.54 176.92 3di4 h TRP 132 N 0.00 0.00 -0.30 5.60 5.08 -1.82 -3.34 115.95 121.16 3di4 h TRP 132 Ca 0.08 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.02 3di4 h TRP 132 Cb 0.58 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 3di4 h TRP 132 CO 0.00 0.00 0.09 -0.92 -1.28 0.00 0.00 178.44 176.33 3di4 h TYR 133 N 0.00 0.50 0.00 0.12 5.03 -1.46 -3.47 116.97 117.69 3di4 h TYR 133 Ca 0.00 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.26 3di4 h TYR 133 Cb 0.33 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.47 3di4 h TYR 133 CO 0.00 0.52 0.00 0.41 -1.32 0.00 0.00 178.16 177.77 3di4 n GLY 134 N -0.60 1.92 3.11 1.82 0.00 -1.26 -4.49 105.19 105.69 3di4 n GLY 134 Ca -0.02 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3di4 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3di4 s ILE 135 N 0.00 2.01 1.00 -0.61 1.01 -1.26 -4.39 121.20 118.96 3di4 s ILE 135 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 3di4 s ILE 135 Cb 0.00 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.86 3di4 s ILE 135 CO 0.00 0.53 1.30 1.51 0.00 0.00 0.00 174.94 178.28 3di4 s ASP 136 N 1.31 2.79 0.63 3.58 1.47 -0.04 -4.89 116.67 121.53 3di4 s ASP 136 Ca 0.05 0.30 0.35 0.00 1.18 0.00 0.00 52.55 54.43 3di4 s ASP 136 Cb -0.13 -0.36 1.97 0.00 -0.34 0.00 0.00 42.92 44.06 3di4 s ASP 136 CO -0.13 -2.94 2.20 0.06 0.68 0.00 0.00 175.17 175.04 3di4 h GLN 137 N -1.78 0.00 -0.01 2.11 3.07 -1.98 -1.64 115.11 114.88 3di4 h GLN 137 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 3di4 h GLN 137 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3di4 h GLN 137 CO 0.37 0.00 -0.53 0.66 0.09 0.00 0.00 178.83 179.42 3di4 n TYR 138 N -3.40 0.00 -0.23 0.06 4.01 -1.26 -4.95 117.16 111.39 3di4 n TYR 138 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3di4 n TYR 138 Cb 0.20 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3di4 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3di4 n GLY 139 N 1.43 0.87 3.82 2.72 0.00 -0.62 -4.48 105.19 108.93 3di4 n GLY 139 Ca 0.08 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3di4 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3di4 s GLY 140 N -2.09 2.63 0.24 -0.02 0.00 -1.26 -4.34 107.32 102.48 3di4 s GLY 140 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.72 3di4 s GLY 140 CO 0.00 0.43 0.31 -0.56 0.00 0.00 0.00 173.10 173.28 3di4 s SER 141 N -1.38 0.22 0.08 1.64 0.01 -0.39 -0.86 113.70 113.00 3di4 s SER 141 Ca 0.35 -1.24 0.02 0.00 1.31 0.00 0.00 55.95 56.39 3di4 s SER 141 Cb -0.18 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 3di4 s SER 141 CO 0.20 -1.02 0.11 -0.69 0.41 0.00 0.00 173.24 172.25 3di4 s VAL 142 N -3.95 4.72 -0.24 3.43 1.01 -1.26 -1.26 120.40 122.85 3di4 s VAL 142 Ca 0.32 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3di4 s VAL 142 Cb 0.03 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3di4 s VAL 142 CO 0.13 0.13 0.25 1.41 0.00 0.00 0.00 175.10 177.01 3di4 n HIS 143 N 0.42 -1.17 -3.36 5.22 8.25 -1.21 -4.27 115.22 119.10 3di4 n HIS 143 Ca -0.08 0.45 -0.34 0.00 -0.26 0.00 0.00 57.72 57.50 3di4 n HIS 143 Cb 0.51 -2.47 -0.06 0.00 1.12 0.00 0.00 29.99 29.10 3di4 n HIS 143 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3di4 s ASP 144 N -2.14 6.76 -0.22 0.41 1.47 -0.99 -1.23 116.67 120.74 3di4 s ASP 144 Ca 0.03 1.04 0.12 0.00 1.18 0.00 0.00 52.55 54.92 3di4 s ASP 144 Cb -0.01 -2.27 0.44 0.00 -0.34 0.00 0.00 42.92 40.74 3di4 s ASP 144 CO 0.28 0.02 1.19 1.33 0.68 0.00 0.00 175.17 178.68 3di4 n VAL 145 N 0.41 2.00 0.00 2.11 0.24 -0.25 -0.61 118.33 122.23 3di4 n VAL 145 Ca -0.03 -3.33 0.00 0.00 -2.04 0.00 0.00 64.34 58.94 3di4 n VAL 145 Cb 0.52 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3di4 n VAL 145 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3di4 n ILE 146 N -0.74 0.00 -1.74 1.34 -5.35 -1.24 -4.69 119.36 106.92 3di4 n ILE 146 Ca 0.26 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.55 3di4 n ILE 146 Cb 0.85 0.43 0.12 0.00 -1.74 0.00 0.00 39.64 39.31 3di4 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3di4 n GLY 147 N 2.50 -1.03 0.61 3.28 0.00 -1.26 -5.06 105.19 104.23 3di4 n GLY 147 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 3di4 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3di4 n THR 148 N -3.05 0.24 0.00 2.61 -2.24 -1.26 -4.50 114.28 106.08 3di4 n THR 148 Ca 0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3di4 n THR 148 Cb 0.38 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 3di4 n THR 148 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3di4 n ARG 149 N -3.02 0.00 -1.77 -0.78 1.85 -1.26 -1.72 116.66 109.96 3di4 n ARG 149 Ca -0.08 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.37 3di4 n ARG 149 Cb 0.57 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.01 3di4 n ARG 149 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3di4 s ASP 151 N -0.66 -0.23 0.50 0.00 1.47 -1.26 -1.08 116.67 115.40 3di4 s ASP 151 Ca 0.66 0.03 0.29 0.00 1.18 0.00 0.00 52.55 54.70 3di4 s ASP 151 Cb -0.43 0.37 1.04 0.00 -0.34 0.00 0.00 42.92 43.57 3di4 s ASP 151 CO 0.54 -0.57 1.87 1.55 0.68 0.00 0.00 175.17 179.24 3di4 h PRO 152 N 3.38 0.00 -0.04 2.11 0.13 -1.92 -2.43 132.00 133.23 3di4 h PRO 152 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3di4 h PRO 152 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3di4 h PRO 152 CO 0.43 0.08 -0.07 1.88 -0.23 0.00 0.00 178.00 180.09 3di4 h TYR 153 N 0.00 0.14 -0.88 1.56 0.05 -1.95 -0.53 116.97 115.36 3di4 h TYR 153 Ca -0.00 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.76 3di4 h TYR 153 Cb 0.68 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 3di4 h TYR 153 CO 0.00 0.64 0.57 1.15 -1.05 0.00 0.00 178.16 179.47 3di4 h THR 154 N -0.39 1.16 -0.48 -2.88 2.02 -1.97 -0.47 112.91 109.91 3di4 h THR 154 Ca 0.00 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3di4 h THR 154 Cb 0.62 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3di4 h THR 154 CO 0.02 0.21 0.28 1.23 0.37 0.00 0.00 175.52 177.62 3di4 h GLY 155 N 1.13 0.67 0.92 2.16 0.00 -1.36 -0.40 103.07 106.20 3di4 h GLY 155 Ca 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3di4 h GLY 155 CO -0.11 0.17 0.08 -0.57 0.00 0.00 0.00 176.54 176.11 3di4 h ASN 156 N 0.55 0.57 -0.38 0.19 -0.73 -0.67 0.82 115.58 115.94 3di4 h ASN 156 Ca 0.19 -0.24 0.07 0.00 1.87 0.00 0.00 56.30 58.20 3di4 h ASN 156 Cb 0.04 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 38.41 3di4 h ASN 156 CO -0.10 0.67 -0.05 0.25 -0.37 0.00 0.00 177.43 177.83 3di4 h LEU 157 N 0.46 -0.25 0.03 0.34 5.85 -0.75 0.10 115.31 121.09 3di4 h LEU 157 Ca 0.12 0.10 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 3di4 h LEU 157 Cb 0.32 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3di4 h LEU 157 CO 0.00 -0.09 -1.84 0.18 -0.34 0.00 0.00 178.44 176.35 3di4 n LEU 158 N -5.24 1.32 0.00 2.25 4.77 -0.19 -4.52 117.00 115.38 3di4 n LEU 158 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3di4 n LEU 158 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3di4 n LEU 158 CO 0.18 0.53 0.07 0.00 -1.33 0.00 0.00 177.39 176.84 3di4 n ALA 159 N -2.70 1.97 -0.75 -1.18 0.00 0.27 -5.09 120.51 113.02 3di4 n ALA 159 Ca -0.22 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.18 3di4 n ALA 159 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.47 3di4 n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3di4 n GLY 160 N 0.63 -2.12 0.00 0.00 0.00 0.36 -4.98 105.19 99.09 3di4 n GLY 160 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3di4 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3di4 n GLY 161 N -3.24 -1.19 2.67 -0.02 0.00 -1.26 -4.41 105.19 97.74 3di4 n GLY 161 Ca -0.01 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 3di4 n GLY 161 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3di4 s HIS 162 N -1.36 0.74 -0.10 1.61 0.09 -1.26 -4.01 115.29 111.01 3di4 s HIS 162 Ca 0.00 -0.77 0.03 0.00 -0.00 0.00 0.00 55.06 54.32 3di4 s HIS 162 Cb 0.00 -0.97 -0.01 0.00 -0.00 0.00 0.00 32.58 31.60 3di4 s HIS 162 CO 0.00 -0.63 -0.18 -0.47 -0.00 0.00 0.00 174.74 173.46 3di4 s TYR 163 N 1.95 2.66 -1.78 1.40 5.04 -1.26 -5.04 117.35 120.32 3di4 s TYR 163 Ca 0.02 -0.68 0.14 0.00 -2.44 0.00 0.00 57.07 54.11 3di4 s TYR 163 Cb -0.17 -1.73 0.12 0.00 0.35 0.00 0.00 41.96 40.54 3di4 s TYR 163 CO -0.13 -0.20 0.97 0.72 -1.34 0.00 0.00 175.55 175.56 3di4 n HIS 164 N 3.22 0.02 -1.26 4.97 8.25 -1.26 -4.42 115.22 124.74 3di4 n HIS 164 Ca -0.18 -0.02 0.07 0.00 -0.26 0.00 0.00 57.72 57.34 3di4 n HIS 164 Cb 0.53 -0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.82 3di4 n HIS 164 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3di4 n HIS 165 N 0.81 0.21 -1.40 4.41 8.25 -1.26 -4.53 115.22 121.71 3di4 n HIS 165 Ca 0.09 -1.20 -0.33 0.00 -0.26 0.00 0.00 57.72 56.02 3di4 n HIS 165 Cb 0.36 -0.23 0.09 0.00 1.12 0.00 0.00 29.99 31.33 3di4 n HIS 165 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3di4 h HIS 168 N 1.00 0.15 -0.36 0.00 -0.00 -1.41 0.37 115.15 114.90 3di4 h HIS 168 Ca 0.42 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.67 3di4 h HIS 168 Cb 0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 3di4 h HIS 168 CO -0.02 -0.03 -0.37 0.77 -0.00 0.00 0.00 177.93 178.27 3di4 h SER 169 N 0.23 0.95 -0.31 3.26 0.02 -1.46 -1.81 113.55 114.43 3di4 h SER 169 Ca 0.27 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3di4 h SER 169 Cb 0.38 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3di4 h SER 169 CO -0.36 1.23 0.18 0.78 -1.14 0.00 0.00 176.83 177.51 3di4 h ASN 170 N 0.69 0.29 -0.75 3.07 2.35 -0.73 0.52 115.58 121.02 3di4 h ASN 170 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3di4 h ASN 170 Cb 0.97 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 3di4 h ASN 170 CO 0.09 0.21 0.39 -0.07 -1.65 0.00 0.00 177.43 176.41 3di4 h LEU 171 N 0.37 0.95 0.14 1.61 3.38 -0.93 -1.64 115.31 119.20 3di4 h LEU 171 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3di4 h LEU 171 Cb -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3di4 h LEU 171 CO -0.06 0.79 -0.07 0.74 0.09 0.00 0.00 178.44 179.94 3di4 h THR 172 N 1.04 0.87 -0.28 0.22 2.02 -0.73 -0.56 112.91 115.49 3di4 h THR 172 Ca 0.26 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3di4 h THR 172 Cb 0.07 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3di4 h THR 172 CO -0.04 0.01 0.18 0.03 0.37 0.00 0.00 175.52 176.08 3di4 h ARG 173 N -0.21 0.36 -0.74 6.66 3.08 -0.89 -0.80 114.38 121.83 3di4 h ARG 173 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3di4 h ARG 173 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3di4 h ARG 173 CO 0.03 0.24 0.48 0.00 -1.07 0.00 0.00 179.97 179.65 3di4 h ALA 174 N 1.11 0.96 -0.23 0.04 0.00 -1.17 -0.28 119.26 119.68 3di4 h ALA 174 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3di4 h ALA 174 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3di4 h ALA 174 CO -0.03 0.32 -0.12 1.25 0.00 0.00 0.00 179.25 180.68 3di4 h LEU 175 N 0.97 0.51 -0.40 0.00 5.85 -0.92 -1.45 115.31 119.87 3di4 h LEU 175 Ca 0.28 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3di4 h LEU 175 Cb -0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3di4 h LEU 175 CO -0.08 0.81 0.23 0.00 -0.34 0.00 0.00 178.44 179.06 3di4 h ALA 176 N 0.72 0.51 -0.59 1.25 0.00 -0.90 -1.19 119.26 119.06 3di4 h ALA 176 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3di4 h ALA 176 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3di4 h ALA 176 CO 0.03 0.02 0.23 -0.44 0.00 0.00 0.00 179.25 179.09 3di4 h ASP 177 N 0.52 0.82 -0.37 0.00 3.32 -0.98 0.27 116.42 120.01 3di4 h ASP 177 Ca 0.14 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 3di4 h ASP 177 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3di4 h ASP 177 CO -0.03 0.78 -0.34 -0.74 -1.72 0.00 0.00 179.24 177.19 3di4 h HIS 178 N 0.82 1.08 0.00 4.55 2.76 -1.06 -3.33 115.15 119.97 3di4 h HIS 178 Ca 0.20 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 3di4 h HIS 178 Cb 0.22 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3di4 h HIS 178 CO 0.01 1.12 -1.65 0.25 -1.30 0.00 0.00 177.93 176.36 3di4 n THR 179 N -4.07 0.28 -0.96 6.26 -2.24 -0.47 -4.98 114.28 108.10 3di4 n THR 179 Ca -0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3di4 n THR 179 Cb 0.52 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3di4 n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3di4 n GLY 180 N 1.25 0.92 3.75 3.38 0.00 0.95 -5.03 105.19 110.41 3di4 n GLY 180 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3di4 n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3di4 s LEU 181 N 0.00 3.79 0.47 0.99 1.43 -1.20 -4.95 118.68 119.19 3di4 s LEU 181 Ca 0.00 2.49 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 3di4 s LEU 181 Cb 0.00 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 3di4 s LEU 181 CO 0.00 -1.47 1.13 -2.65 0.23 0.00 0.00 176.35 173.59 3di4 n PRO 182 N -1.22 1.52 -0.23 1.29 -0.02 -1.26 -4.67 135.00 130.42 3di4 n PRO 182 Ca 0.12 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 3di4 n PRO 182 Cb 0.48 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3di4 n PRO 182 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3di4 h LEU 183 N 1.54 -0.04 -0.10 2.45 5.85 -1.93 0.76 115.31 123.84 3di4 h LEU 183 Ca -0.47 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3di4 h LEU 183 Cb 1.32 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.55 3di4 h LEU 183 CO 0.57 -0.03 0.00 0.45 -0.34 0.00 0.00 178.44 179.08 3di4 h HIS 184 N 0.24 0.00 -0.00 1.25 3.86 -1.97 0.20 115.15 118.73 3di4 h HIS 184 Ca 0.37 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.43 3di4 h HIS 184 Cb 0.60 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.08 3di4 h HIS 184 CO -0.28 0.00 -0.58 0.93 0.86 0.00 0.00 177.93 178.87 3di4 h GLU 185 N 0.00 0.40 -0.84 2.45 5.08 -1.62 -3.23 114.58 116.82 3di4 h GLU 185 Ca 0.00 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3di4 h GLU 185 Cb 0.93 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3di4 h GLU 185 CO 0.00 1.09 0.52 0.00 -1.00 0.00 0.00 179.01 179.62 3di4 h ALA 186 N 0.32 1.15 0.00 3.43 0.00 -0.70 -3.24 119.26 120.21 3di4 h ALA 186 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3di4 h ALA 186 Cb 1.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3di4 h ALA 186 CO 0.11 0.26 0.00 -1.91 0.00 0.00 0.00 179.25 177.71 3di4 n GLU 187 N -4.63 0.00 0.00 0.00 2.13 0.04 -2.73 120.64 115.44 3di4 n GLU 187 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3di4 n GLU 187 Cb 0.17 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.75 3di4 n GLU 187 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3di4 n LEU 189 N 0.99 0.00 -4.77 4.31 4.77 -1.22 -4.84 117.00 116.23 3di4 n LEU 189 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3di4 n LEU 189 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3di4 n LEU 189 CO 0.00 0.00 1.08 -0.69 -1.33 0.00 0.00 177.39 176.45 3di4 s VAL 190 N 0.00 2.35 0.20 4.08 1.01 -1.11 -5.00 120.40 121.92 3di4 s VAL 190 Ca 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3di4 s VAL 190 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3di4 s VAL 190 CO 0.00 0.08 0.09 -1.38 0.00 0.00 0.00 175.10 173.89 3di4 s HIS 191 N -0.99 1.20 0.24 5.22 -3.43 -1.26 -5.12 115.29 111.15 3di4 s HIS 191 Ca 0.52 -1.25 -0.31 0.00 -0.80 0.00 0.00 55.06 53.22 3di4 s HIS 191 Cb -0.44 -0.65 -0.13 0.00 -1.43 0.00 0.00 32.58 29.93 3di4 s HIS 191 CO 0.57 -0.47 1.54 -0.25 -2.00 0.00 0.00 174.74 174.13 3di4 n ASP 192 N -0.28 3.32 -4.94 7.38 8.00 -1.26 -4.91 116.55 123.86 3di4 n ASP 192 Ca -0.01 1.12 -0.25 0.00 0.71 0.00 0.00 54.79 56.36 3di4 n ASP 192 Cb 0.65 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.28 3di4 n ASP 192 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3di4 s VAL 193 N 0.31 3.83 -0.24 2.53 -7.23 -0.70 -4.50 120.40 114.40 3di4 s VAL 193 Ca 0.70 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.43 3di4 s VAL 193 Cb -0.59 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 32.86 3di4 s VAL 193 CO 0.45 -0.40 0.57 -0.22 -0.31 0.00 0.00 175.10 175.19 3di4 s LEU 194 N -4.77 4.09 -1.22 1.32 2.96 -0.67 -4.63 118.68 115.75 3di4 s LEU 194 Ca 0.51 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.95 3di4 s LEU 194 Cb -0.10 -2.77 0.17 0.00 0.50 0.00 0.00 46.19 43.98 3di4 s LEU 194 CO 0.41 -0.29 1.49 0.59 -1.32 0.00 0.00 176.35 177.23 3di4 n ASN 195 N 5.39 5.20 -4.69 3.68 3.02 0.22 -1.08 115.26 127.00 3di4 n ASN 195 Ca -0.03 -2.98 -0.42 0.00 -0.03 0.00 0.00 54.58 51.12 3di4 n ASN 195 Cb 0.50 -1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 3di4 n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3di4 s VAL 196 N 1.60 3.27 -0.08 2.41 1.01 0.11 -2.33 120.40 126.39 3di4 s VAL 196 Ca 0.43 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 3di4 s VAL 196 Cb -0.01 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3di4 s VAL 196 CO 0.01 -0.01 0.10 0.49 0.00 0.00 0.00 175.10 175.69 3di4 n PHE 197 N 5.65 -0.55 -3.44 5.22 3.72 -1.26 -0.89 117.46 125.91 3di4 n PHE 197 Ca 0.15 0.22 0.01 0.00 -0.05 0.00 0.00 57.45 57.78 3di4 n PHE 197 Cb 0.42 -1.92 -0.03 0.00 -0.94 0.00 0.00 39.48 37.01 3di4 n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3di4 s THR 200 N 2.83 0.02 0.00 0.00 -4.23 -0.39 -1.55 115.64 112.32 3di4 s THR 200 Ca 0.03 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3di4 s THR 200 Cb -0.12 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3di4 s THR 200 CO -0.19 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3di4 n GLY 201 N -0.35 1.09 3.32 3.99 0.00 -0.89 -1.27 105.19 111.08 3di4 n GLY 201 Ca -0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3di4 n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3di4 s PHE 202 N -2.86 2.67 0.43 1.61 0.08 -1.26 -0.79 117.98 117.87 3di4 s PHE 202 Ca 0.00 -0.72 -0.25 0.00 0.12 0.00 0.00 56.93 56.08 3di4 s PHE 202 Cb 0.00 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.61 3di4 s PHE 202 CO 0.00 -0.23 1.25 0.25 -0.10 0.00 0.00 175.22 176.39 3di4 n THR 203 N 3.30 2.65 0.16 0.64 -2.24 0.36 -4.80 114.28 114.35 3di4 n THR 203 Ca -0.18 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.12 3di4 n THR 203 Cb 0.53 -1.53 0.26 0.00 -2.10 0.00 0.00 70.33 67.49 3di4 n THR 203 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3di4 h ARG 204 N 1.97 0.00 0.00 -0.78 -0.00 -1.92 -0.89 114.38 112.77 3di4 h ARG 204 Ca -0.48 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 58.73 3di4 h ARG 204 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.23 3di4 h ARG 204 CO 0.59 0.49 -1.55 0.38 0.00 0.00 0.00 179.97 179.87 3di4 h ASP 205 N 0.00 0.02 0.00 7.04 2.03 -1.97 -3.41 116.42 120.12 3di4 h ASP 205 Ca -0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3di4 h ASP 205 Cb 0.98 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 3di4 h ASP 205 CO 0.06 1.02 -0.02 0.35 -1.03 0.00 0.00 179.24 179.62 3di4 n THR 206 N -3.13 0.00 -1.35 1.15 -2.24 -1.24 -5.03 114.28 102.44 3di4 n THR 206 Ca -0.13 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 3di4 n THR 206 Cb 1.03 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 70.20 3di4 n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3di4 n GLY 207 N 0.76 1.02 3.83 3.38 0.00 -0.34 -4.96 105.19 108.87 3di4 n GLY 207 Ca 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 3di4 n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di4 s GLN 208 N -2.95 4.13 0.03 1.61 -0.21 -1.26 -4.63 119.66 116.38 3di4 s GLN 208 Ca 0.00 0.70 -0.30 0.00 0.02 0.00 0.00 55.36 55.78 3di4 s GLN 208 Cb 0.00 -2.92 -0.07 0.00 1.00 0.00 0.00 33.01 31.02 3di4 s GLN 208 CO 0.00 0.44 1.51 -0.47 -2.12 0.00 0.00 175.29 174.65 3di4 s TYR 209 N -1.48 2.69 0.00 0.91 5.04 -1.26 -0.49 117.35 122.77 3di4 s TYR 209 Ca 0.40 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3di4 s TYR 209 Cb -0.16 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.36 3di4 s TYR 209 CO 0.20 -3.04 0.00 1.97 -1.34 0.00 0.00 175.55 173.34 3di4 n PHE 210 N 5.40 0.00 0.00 4.97 1.16 0.03 -4.93 117.46 124.09 3di4 n PHE 210 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3di4 n PHE 210 Cb 0.42 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 3di4 n PHE 210 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 3di4 n LYS 212 N 0.00 0.00 -1.59 3.97 2.85 -0.60 -2.09 118.16 120.70 3di4 n LYS 212 Ca 0.00 0.00 -0.54 0.00 -1.05 0.00 0.00 58.31 56.72 3di4 n LYS 212 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 3di4 n LYS 212 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3di4 n ALA 213 N -0.21 -1.28 -1.77 0.58 0.00 -1.22 -4.30 120.51 112.32 3di4 n ALA 213 Ca 0.00 0.52 -0.40 0.00 0.00 0.00 0.00 53.44 53.56 3di4 n ALA 213 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 3di4 n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3di4 s SER 214 N 0.76 6.79 0.00 0.00 0.15 -0.40 -4.85 113.70 116.16 3di4 s SER 214 Ca 0.87 2.44 0.25 0.00 0.70 0.00 0.00 55.95 60.21 3di4 s SER 214 Cb -1.02 -2.63 1.40 0.00 -1.71 0.00 0.00 66.02 62.06 3di4 s SER 214 CO 0.51 -0.50 1.87 -0.81 1.20 0.00 0.00 173.24 175.51 3di4 n PRO 215 N 0.58 0.57 -1.91 5.44 -0.04 -1.26 -4.88 135.00 133.49 3di4 n PRO 215 Ca 0.02 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 3di4 n PRO 215 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3di4 n PRO 215 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3di4 s VAL 216 N -2.31 2.30 0.08 0.52 0.11 -1.26 -5.05 120.40 114.80 3di4 s VAL 216 Ca 0.31 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 3di4 s VAL 216 Cb 0.17 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 3di4 s VAL 216 CO 0.34 0.05 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.96 3di4 s ARG 217 N -2.21 0.76 0.15 1.54 1.81 -1.26 -4.58 118.95 115.16 3di4 s ARG 217 Ca 0.56 -1.14 -0.34 0.00 -1.72 0.00 0.00 55.73 53.09 3di4 s ARG 217 Cb -0.42 -0.31 -0.16 0.00 -0.45 0.00 0.00 34.95 33.61 3di4 s ARG 217 CO 0.56 0.03 1.26 -2.30 -0.68 0.00 0.00 175.30 174.16 3di4 n PRO 218 N 0.51 1.28 0.00 3.54 -0.02 -1.26 -1.11 135.00 137.94 3di4 n PRO 218 Ca -0.16 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3di4 n PRO 218 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3di4 n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3di4 n GLY 219 N 2.26 2.43 3.76 -1.23 0.00 -0.25 -4.97 105.19 107.20 3di4 n GLY 219 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3di4 n GLY 219 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3di4 s ASP 220 N -0.19 5.39 0.13 1.61 1.01 -0.27 -4.81 116.67 119.54 3di4 s ASP 220 Ca 0.00 2.31 -0.15 0.00 0.71 0.00 0.00 52.55 55.41 3di4 s ASP 220 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 3di4 s ASP 220 CO 0.00 -1.45 0.40 -0.72 0.21 0.00 0.00 175.17 173.61 3di4 s TYR 221 N -1.66 -0.15 -0.10 4.23 -0.85 -1.26 -0.68 117.35 116.87 3di4 s TYR 221 Ca 0.76 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 57.14 3di4 s TYR 221 Cb -0.28 0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.32 3di4 s TYR 221 CO 0.31 -0.72 -0.14 -1.17 -1.52 0.00 0.00 175.55 172.31 3di4 s LEU 222 N -2.82 1.64 -0.03 -3.49 2.96 -0.31 -1.58 118.68 115.05 3di4 s LEU 222 Ca 0.04 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3di4 s LEU 222 Cb 0.02 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3di4 s LEU 222 CO -0.10 -0.00 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.01 3di4 s GLU 223 N 1.05 1.94 0.06 1.98 2.12 -0.05 -1.01 118.70 124.79 3di4 s GLU 223 Ca -0.06 -0.77 0.08 0.00 0.36 0.00 0.00 54.97 54.58 3di4 s GLU 223 Cb -0.15 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 3di4 s GLU 223 CO -0.02 0.40 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.83 3di4 s PHE 224 N -0.32 1.82 -0.19 5.30 0.40 -0.10 -0.63 117.98 124.27 3di4 s PHE 224 Ca 0.03 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.85 3di4 s PHE 224 Cb -0.10 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 3di4 s PHE 224 CO 0.01 0.12 0.25 0.12 0.70 0.00 0.00 175.22 176.42 3di4 s PHE 225 N -0.88 3.42 -0.31 0.36 5.36 0.45 -1.12 117.98 125.25 3di4 s PHE 225 Ca 0.07 0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 56.26 3di4 s PHE 225 Cb -0.09 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3di4 s PHE 225 CO 0.02 0.19 0.98 0.00 -1.46 0.00 0.00 175.22 174.96 3di4 s ALA 226 N 0.63 3.52 0.05 11.12 0.00 0.24 -0.84 121.76 136.49 3di4 s ALA 226 Ca 0.14 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.02 3di4 s ALA 226 Cb -0.13 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.28 3di4 s ALA 226 CO 0.03 -1.38 1.24 0.93 0.00 0.00 0.00 175.76 176.58 3di4 h GLU 227 N 8.07 0.00 -5.04 0.00 4.39 -1.88 0.18 114.58 120.30 3di4 h GLU 227 Ca -0.22 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.09 3di4 h GLU 227 Cb 1.07 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.58 3di4 h GLU 227 CO 0.98 0.84 -0.63 0.96 -1.16 0.00 0.00 179.01 180.01 3di4 s ILE 228 N -2.75 0.89 0.09 3.13 -4.36 -1.26 -4.15 121.20 112.78 3di4 s ILE 228 Ca 0.01 -2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 58.08 3di4 s ILE 228 Cb 0.09 -2.57 -0.08 0.00 1.25 0.00 0.00 42.46 41.15 3di4 s ILE 228 CO 0.81 -0.12 1.57 -1.81 0.24 0.00 0.00 174.94 175.63 3di4 s ASP 229 N -3.35 6.65 0.02 4.36 1.01 -1.26 -3.42 116.67 120.67 3di4 s ASP 229 Ca 0.34 2.45 0.08 0.00 0.71 0.00 0.00 52.55 56.13 3di4 s ASP 229 Cb 0.07 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3di4 s ASP 229 CO 0.12 -0.83 -0.24 -0.76 0.21 0.00 0.00 175.17 173.68 3di4 s LEU 230 N 2.10 2.11 -0.37 1.23 1.43 0.27 -1.17 118.68 124.29 3di4 s LEU 230 Ca 0.71 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 3di4 s LEU 230 Cb -0.39 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.65 3di4 s LEU 230 CO 0.31 0.25 0.25 -0.22 0.23 0.00 0.00 176.35 177.17 3di4 s LEU 231 N -0.92 4.76 0.30 1.79 2.96 0.29 -1.55 118.68 126.31 3di4 s LEU 231 Ca 0.10 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 3di4 s LEU 231 Cb -0.09 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 3di4 s LEU 231 CO 0.01 -0.36 0.63 -0.83 -1.32 0.00 0.00 176.35 174.48 3di4 s GLY 232 N 1.65 2.06 -0.17 7.98 0.00 0.98 -0.68 107.32 119.14 3di4 s GLY 232 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 44.72 44.40 3di4 s GLY 232 CO 0.09 -0.17 0.28 0.21 0.00 0.00 0.00 173.10 173.51 3di4 s ASN 233 N -2.82 0.53 -0.07 1.64 2.47 -0.50 -1.21 114.94 114.97 3di4 s ASN 233 Ca 0.48 0.39 0.03 0.00 0.42 0.00 0.00 52.86 54.18 3di4 s ASN 233 Cb -0.11 0.73 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 3di4 s ASN 233 CO 0.26 -0.27 -0.18 -0.22 -3.72 0.00 0.00 177.10 172.98 3di4 s LEU 234 N 2.43 1.88 -0.14 3.21 2.96 -0.35 -0.38 118.68 128.29 3di4 s LEU 234 Ca 0.04 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3di4 s LEU 234 Cb -0.13 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 3di4 s LEU 234 CO -0.11 0.11 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.42 3di4 s SER 235 N 0.37 4.57 -0.66 3.68 0.15 -0.46 -1.29 113.70 120.06 3di4 s SER 235 Ca -0.13 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 3di4 s SER 235 Cb -0.15 -1.69 0.05 0.00 -1.71 0.00 0.00 66.02 62.52 3di4 s SER 235 CO 0.05 0.18 1.04 0.00 1.20 0.00 0.00 173.24 175.71 3di4 s ALA 236 N 0.27 3.03 0.32 5.45 0.00 -0.36 -0.85 121.76 129.62 3di4 s ALA 236 Ca -0.05 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 3di4 s ALA 236 Cb -0.14 -3.93 -0.12 0.00 0.00 0.00 0.00 23.12 18.93 3di4 s ALA 236 CO 0.04 -2.82 1.55 0.00 0.00 0.00 0.00 175.76 174.52 3di4 n PRO 238 N 1.56 0.04 0.00 0.00 -0.04 -1.26 -1.64 135.00 133.65 3di4 n PRO 238 Ca 0.06 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 3di4 n PRO 238 Cb 0.37 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.84 3di4 n PRO 238 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3di4 n GLY 239 N -0.44 -1.10 7.00 0.55 0.00 -1.26 -4.42 105.19 105.52 3di4 n GLY 239 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3di4 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3di4 n GLY 240 N 0.62 2.81 0.48 -0.02 0.00 -0.65 -0.66 105.19 107.78 3di4 n GLY 240 Ca 0.08 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3di4 n GLY 240 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3di4 n ASP 241 N 7.61 1.44 -2.89 1.61 5.75 -1.22 -1.40 116.55 127.45 3di4 n ASP 241 Ca 0.00 -1.78 -0.21 0.00 -0.01 0.00 0.00 54.79 52.79 3di4 n ASP 241 Cb 0.00 -0.13 0.04 0.00 -1.03 0.00 0.00 41.12 40.00 3di4 n ASP 241 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3di4 n SER 243 N -2.32 1.73 -4.76 0.00 3.41 -1.26 -3.40 113.62 107.02 3di4 n SER 243 Ca -0.11 -1.45 -0.39 0.00 -0.26 0.00 0.00 58.87 56.66 3di4 n SER 243 Cb 0.61 0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.67 3di4 n SER 243 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3di4 s SER 244 N -2.17 5.65 0.00 4.04 0.01 -1.26 -4.74 113.70 115.23 3di4 s SER 244 Ca 0.31 2.79 0.25 0.00 1.31 0.00 0.00 55.95 60.61 3di4 s SER 244 Cb 0.20 -2.64 0.51 0.00 0.21 0.00 0.00 66.02 64.30 3di4 s SER 244 CO 0.39 -1.32 1.41 -1.84 0.41 0.00 0.00 173.24 172.30 3di4 n GLU 245 N -0.57 1.08 -3.59 12.44 0.00 -1.26 -4.99 120.64 123.75 3di4 n GLU 245 Ca 0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 57.16 56.34 3di4 n GLU 245 Cb 0.44 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.33 3di4 n GLU 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3di4 s ALA 251 N -2.43 -1.83 -0.31 -1.84 0.00 -1.26 -5.28 121.76 108.80 3di4 s ALA 251 Ca 0.24 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 53.66 3di4 s ALA 251 Cb 0.19 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3di4 s ALA 251 CO 0.51 -0.33 0.97 0.45 0.00 0.00 0.00 175.76 177.37 3di4 s SER 252 N -0.29 6.84 0.20 0.00 0.15 -1.26 -4.85 113.70 114.49 3di4 s SER 252 Ca -0.03 0.93 0.09 0.00 0.70 0.00 0.00 55.95 57.64 3di4 s SER 252 Cb -0.03 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 3di4 s SER 252 CO 0.03 -0.77 -0.11 0.00 1.20 0.00 0.00 173.24 173.58 3di4 s HIS 254 N -1.84 0.70 1.06 0.00 3.76 -1.26 -4.91 115.29 112.80 3di4 s HIS 254 Ca 0.26 -1.14 -0.15 0.00 -0.15 0.00 0.00 55.06 53.87 3di4 s HIS 254 Cb -0.08 -0.42 0.22 0.00 1.11 0.00 0.00 32.58 33.41 3di4 s HIS 254 CO 0.15 -0.47 1.12 -1.25 -0.85 0.00 0.00 174.74 173.44 3di4 s PRO 255 N -3.99 -0.06 0.02 8.40 0.05 -1.26 -3.96 135.00 134.20 3di4 s PRO 255 Ca 0.17 0.21 0.04 0.00 0.05 0.00 0.00 61.00 61.47 3di4 s PRO 255 Cb 0.07 -1.71 -0.02 0.00 0.05 0.00 0.00 34.50 32.90 3di4 s PRO 255 CO -0.03 -2.99 -0.13 -0.51 0.05 0.00 0.00 177.00 173.39 3di4 s LEU 256 N -6.54 2.12 -0.19 -3.56 1.43 -0.74 -4.31 118.68 106.89 3di4 s LEU 256 Ca 0.68 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 3di4 s LEU 256 Cb -0.14 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3di4 s LEU 256 CO 0.56 0.07 0.02 -0.22 0.23 0.00 0.00 176.35 177.01 3di4 s LEU 257 N -0.85 3.46 -0.19 1.79 2.96 -0.75 -0.34 118.68 124.75 3di4 s LEU 257 Ca 0.02 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3di4 s LEU 257 Cb -0.07 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3di4 s LEU 257 CO 0.01 0.10 0.04 -0.69 -1.32 0.00 0.00 176.35 174.49 3di4 s VAL 258 N 0.78 4.46 0.03 1.68 1.01 0.47 -0.64 120.40 128.19 3di4 s VAL 258 Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3di4 s VAL 258 Cb -0.14 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3di4 s VAL 258 CO 0.02 0.43 -0.23 -1.61 0.00 0.00 0.00 175.10 173.71 3di4 s GLU 259 N 0.70 1.64 -0.08 2.72 2.02 -0.16 -0.00 118.70 125.53 3di4 s GLU 259 Ca 0.02 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.06 3di4 s GLU 259 Cb -0.14 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 3di4 s GLU 259 CO 0.02 0.45 -0.14 0.42 0.02 0.00 0.00 175.26 176.04 3di4 s ILE 260 N -0.74 3.07 0.02 -1.63 -1.09 -0.43 -0.41 121.20 119.98 3di4 s ILE 260 Ca 0.09 -0.70 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 3di4 s ILE 260 Cb -0.09 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 3di4 s ILE 260 CO 0.01 0.57 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.78 3di4 s PHE 261 N -0.35 1.31 -0.08 3.97 0.08 -0.28 -0.22 117.98 122.41 3di4 s PHE 261 Ca 0.04 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 56.80 3di4 s PHE 261 Cb -0.12 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 3di4 s PHE 261 CO 0.02 0.02 -0.19 0.00 -0.10 0.00 0.00 175.22 174.97 3di4 s ALA 262 N -0.68 1.79 0.73 5.36 0.00 0.12 -0.81 121.76 128.28 3di4 s ALA 262 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 3di4 s ALA 262 Cb -0.07 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.40 3di4 s ALA 262 CO 0.01 0.25 1.07 -1.25 0.00 0.00 0.00 175.76 175.84 3di4 s PRO 263 N 0.33 2.67 0.47 0.00 0.04 -1.26 -1.37 135.00 135.88 3di4 s PRO 263 Ca -0.14 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 61.61 3di4 s PRO 263 Cb -0.16 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3di4 s PRO 263 CO 0.06 -1.29 1.37 0.00 0.04 0.00 0.00 177.00 177.17 3di4 s ALA 264 N -3.03 3.09 0.29 8.56 0.00 -1.26 -4.89 121.76 124.52 3di4 s ALA 264 Ca 0.59 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 3di4 s ALA 264 Cb -0.15 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 3di4 s ALA 264 CO 0.55 -1.15 1.42 0.39 0.00 0.00 0.00 175.76 176.97 3di4 n GLU 265 N -0.42 2.25 -0.67 0.00 -0.58 -1.26 -4.60 120.64 115.36 3di4 n GLU 265 Ca 0.07 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 3di4 n GLU 265 Cb 0.44 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 3di4 n GLU 265 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3di4 n GLY 266 N 1.63 0.74 0.00 0.62 0.00 -1.26 -5.06 105.19 101.86 3di4 n GLY 266 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3di4 n GLY 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3di4 n LEU 268 N -0.51 0.00 0.00 0.99 4.77 -1.26 -4.91 117.00 116.08 3di4 n LEU 268 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3di4 n LEU 268 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3di4 n LEU 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3di4 n GLY 269 N 0.00 3.25 0.64 -0.72 0.00 -1.26 -1.51 105.19 105.59 3di4 n GLY 269 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.05 3di4 n GLY 269 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3di4 n ASP 270 N 3.79 1.87 -4.67 1.61 5.75 -1.26 -4.94 116.55 118.70 3di4 n ASP 270 Ca 0.00 -2.00 -0.49 0.00 -0.01 0.00 0.00 54.79 52.29 3di4 n ASP 270 Cb 0.00 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 39.81 3di4 n ASP 270 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3di4 n TRP 271 N 0.52 2.14 -3.83 2.11 -0.00 -0.57 -4.97 117.44 112.84 3di4 n TRP 271 Ca 0.12 0.27 -0.36 0.00 -0.00 0.00 0.00 57.50 57.52 3di4 n TRP 271 Cb 0.29 -2.54 -0.06 0.00 -0.00 0.00 0.00 31.31 29.01 3di4 n TRP 271 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3di4 s PRO 272 N 2.37 3.50 0.34 5.87 0.04 -1.26 -5.08 135.00 140.79 3di4 s PRO 272 Ca 0.88 -0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 3di4 s PRO 272 Cb -0.79 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 30.47 3di4 s PRO 272 CO 0.48 0.74 1.43 0.45 0.04 0.00 0.00 177.00 180.15 3di4 n SER 273 N 1.70 3.40 -4.71 6.66 2.88 -1.26 -4.93 113.62 117.35 3di4 n SER 273 Ca -0.17 1.20 -0.39 0.00 -1.33 0.00 0.00 58.87 58.18 3di4 n SER 273 Cb 0.54 -1.56 0.03 0.00 -0.75 0.00 0.00 64.21 62.48 3di4 n SER 273 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3di4 n PRO 274 N 0.83 1.65 -2.71 -1.46 -0.02 -1.26 -4.99 135.00 127.05 3di4 n PRO 274 Ca 0.04 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 3di4 n PRO 274 Cb 0.37 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 3di4 n PRO 274 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3di4 s SER 275 N -0.84 6.47 0.73 2.55 0.01 -1.26 -4.98 113.70 116.38 3di4 s SER 275 Ca 0.69 1.17 -0.15 0.00 1.31 0.00 0.00 55.95 58.96 3di4 s SER 275 Cb -0.44 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.48 3di4 s SER 275 CO 0.52 -0.48 1.24 0.68 0.41 0.00 0.00 173.24 175.60 3di4 s VAL 276 N -2.51 2.13 0.35 3.43 -7.23 -1.26 -4.77 120.40 110.53 3di4 s VAL 276 Ca 0.52 0.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.48 3di4 s VAL 276 Cb -0.10 -2.71 -0.12 0.00 0.56 0.00 0.00 36.38 34.01 3di4 s VAL 276 CO 0.35 -0.03 1.22 -3.20 -0.31 0.00 0.00 175.10 173.12 3di4 n ASN 277 N -2.66 2.36 -0.70 4.85 2.85 0.40 -4.91 115.26 117.45 3di4 n ASN 277 Ca 0.14 1.18 0.12 0.00 -0.11 0.00 0.00 54.58 55.91 3di4 n ASN 277 Cb 0.50 -1.44 0.34 0.00 1.24 0.00 0.00 39.78 40.42 3di4 n ASN 277 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3di4 n GLY 278 N 0.89 0.59 3.67 8.20 0.00 -1.26 -4.94 105.19 112.33 3di4 n GLY 278 Ca 0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3di4 n GLY 278 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3di4 n TYR 279 N 0.64 1.95 0.42 1.61 9.36 -1.26 -4.85 117.16 125.02 3di4 n TYR 279 Ca 0.17 0.59 0.08 0.00 3.32 0.00 0.00 57.90 62.06 3di4 n TYR 279 Cb 0.42 -2.36 0.33 0.00 -0.63 0.00 0.00 39.34 37.10 3di4 n TYR 279 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3di4 n ASP 280 N 0.84 0.16 -0.44 2.98 5.68 -1.26 -4.86 116.55 119.65 3di4 n ASP 280 Ca 0.06 0.54 -0.06 0.00 -0.50 0.00 0.00 54.79 54.84 3di4 n ASP 280 Cb 0.35 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 39.73 3di4 n ASP 280 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3di4 n ARG 281 N -1.69 -1.04 0.11 0.11 1.74 -1.26 -4.87 116.66 109.77 3di4 n ARG 281 Ca 0.03 0.59 0.01 0.00 -0.77 0.00 0.00 57.85 57.71 3di4 n ARG 281 Cb 0.16 -4.54 -0.01 0.00 -1.02 0.00 0.00 32.46 27.05 3di4 n ARG 281 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3di4 h SER 282 N 0.00 0.00 -2.54 0.55 4.64 -1.89 -3.47 113.55 110.83 3di4 h SER 282 Ca -0.12 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.87 3di4 h SER 282 Cb 0.69 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3di4 h SER 282 CO 0.17 0.55 -0.38 1.41 -0.87 0.00 0.00 176.83 177.71 3di4 n HIS 283 N -3.17 -0.81 -0.42 4.77 8.25 -1.26 -1.23 115.22 121.35 3di4 n HIS 283 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3di4 n HIS 283 Cb 0.77 -3.21 0.00 0.00 1.12 0.00 0.00 29.99 28.67 3di4 n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3di4 n GLY 284 N -0.67 0.98 0.60 -1.41 0.00 -1.26 -5.28 105.19 98.15 3di4 n GLY 284 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3di4 n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86