#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3x s VAL 2 N 0.00 1.67 0.06 2.53 -7.23 -0.74 -5.02 120.40 111.68 3n3x s VAL 2 Ca 0.00 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 3n3x s VAL 2 Cb 0.00 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 3n3x s VAL 2 CO 0.00 -0.30 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.96 3n3x s SER 3 N -2.49 1.09 -0.10 4.85 0.01 -1.26 -0.22 113.70 115.58 3n3x s SER 3 Ca 0.12 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 3n3x s SER 3 Cb -0.06 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.25 3n3x s SER 3 CO 0.05 -0.24 0.22 0.12 0.41 0.00 0.00 173.24 173.80 3n3x s PHE 4 N -1.91 -0.29 -0.20 2.43 5.36 -0.27 -4.78 117.98 118.32 3n3x s PHE 4 Ca -0.03 0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 56.63 3n3x s PHE 4 Cb -0.06 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.59 3n3x s PHE 4 CO -0.00 -0.24 -0.05 1.03 -1.46 0.00 0.00 175.22 174.50 3n3x s ARG 5 N 1.47 3.46 0.36 10.12 0.52 -1.26 -1.51 118.95 132.10 3n3x s ARG 5 Ca -0.07 -0.60 0.19 0.00 -0.52 0.00 0.00 55.73 54.73 3n3x s ARG 5 Cb -0.11 -2.96 0.45 0.00 0.52 0.00 0.00 34.95 32.86 3n3x s ARG 5 CO -0.08 -0.05 1.62 -0.07 0.02 0.00 0.00 175.30 176.75 3n3x h LEU 6 N 7.63 0.00 -8.93 2.53 4.07 -1.38 -3.34 115.31 115.87 3n3x h LEU 6 Ca -0.37 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.02 3n3x h LEU 6 Cb 1.18 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 3n3x h LEU 6 CO 0.60 0.36 1.17 -0.55 -1.08 0.00 0.00 178.44 178.93 3n3x s SER 7 N -6.35 6.21 0.00 -0.43 0.15 -1.26 -1.74 113.70 110.28 3n3x s SER 7 Ca 0.02 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3n3x s SER 7 Cb 0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3n3x s SER 7 CO 0.70 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 174.31 3n3x n GLY 8 N 4.99 0.76 3.76 9.45 0.00 -1.26 -5.02 105.19 117.87 3n3x n GLY 8 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3n3x n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3x s ALA 9 N -2.77 3.16 0.27 4.61 0.00 -0.71 -4.99 121.76 121.33 3n3x s ALA 9 Ca 0.00 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.28 3n3x s ALA 9 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3n3x s ALA 9 CO 0.00 -1.10 0.34 0.16 0.00 0.00 0.00 175.76 175.16 3n3x s ASP 10 N -0.69 0.54 0.41 0.00 1.47 -1.26 -5.01 116.67 112.14 3n3x s ASP 10 Ca 0.62 -1.36 0.20 0.00 1.18 0.00 0.00 52.55 53.19 3n3x s ASP 10 Cb -0.41 0.54 1.14 0.00 -0.34 0.00 0.00 42.92 43.85 3n3x s ASP 10 CO 0.52 -1.08 1.79 -0.65 0.68 0.00 0.00 175.17 176.42 3n3x h PRO 11 N 2.31 0.35 -0.11 2.11 0.11 -1.95 -1.20 132.00 133.61 3n3x h PRO 11 Ca -0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3n3x h PRO 11 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3n3x h PRO 11 CO 0.42 0.23 -0.05 1.03 -0.21 0.00 0.00 178.00 179.42 3n3x h SER 12 N 0.36 0.24 0.13 -2.05 0.87 -1.97 -0.61 113.55 110.52 3n3x h SER 12 Ca 0.57 -0.41 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3n3x h SER 12 Cb 1.52 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 3n3x h SER 12 CO -0.25 0.59 -0.42 0.77 -0.53 0.00 0.00 176.83 176.99 3n3x h SER 13 N -0.12 0.39 -0.35 6.23 4.64 -1.80 -1.17 113.55 121.38 3n3x h SER 13 Ca 0.03 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3n3x h SER 13 Cb 0.50 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3n3x h SER 13 CO 0.02 0.77 -0.01 0.22 -0.87 0.00 0.00 176.83 176.95 3n3x h TYR 14 N 0.31 0.69 -0.85 4.77 3.20 -1.25 -2.01 116.97 121.83 3n3x h TYR 14 Ca 0.03 -0.12 0.12 0.00 3.14 0.00 0.00 58.73 61.89 3n3x h TYR 14 Cb 0.87 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.88 3n3x h TYR 14 CO 0.02 0.74 0.47 0.78 -1.64 0.00 0.00 178.16 178.54 3n3x h GLY 15 N 0.43 1.35 1.01 1.82 0.00 -0.82 -1.41 103.07 105.45 3n3x h GLY 15 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3n3x h GLY 15 CO 0.02 0.06 0.28 1.98 0.00 0.00 0.00 176.54 178.89 3n3x h MET 16 N 0.74 0.99 -0.36 4.80 1.85 -0.98 -0.72 114.93 121.25 3n3x h MET 16 Ca 0.43 -0.17 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 3n3x h MET 16 Cb 0.49 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 3n3x h MET 16 CO -0.29 0.81 0.20 0.35 -0.40 0.00 0.00 176.91 177.58 3n3x h PHE 17 N 0.94 0.49 -0.70 1.39 3.57 -0.86 0.30 116.94 122.06 3n3x h PHE 17 Ca 0.22 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3n3x h PHE 17 Cb 0.18 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3n3x h PHE 17 CO 0.01 0.38 0.15 0.82 -2.23 0.00 0.00 178.31 177.44 3n3x h ILE 18 N 0.45 1.26 -0.22 1.41 1.08 -1.07 0.13 117.51 120.55 3n3x h ILE 18 Ca 0.13 -0.99 0.04 0.00 -0.39 0.00 0.00 64.86 63.65 3n3x h ILE 18 Cb 0.05 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 3n3x h ILE 18 CO -0.02 0.38 -0.05 0.50 -0.69 0.00 0.00 178.15 178.27 3n3x h LYS 19 N 1.06 0.00 -0.50 2.37 3.64 -0.90 -1.04 116.57 121.20 3n3x h LYS 19 Ca 0.22 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3n3x h LYS 19 Cb 0.40 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3n3x h LYS 19 CO 0.01 0.00 0.26 -0.44 -2.27 0.00 0.00 179.45 177.01 3n3x h ASP 20 N 0.00 0.39 0.13 4.20 3.32 -0.36 -0.88 116.42 123.22 3n3x h ASP 20 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3n3x h ASP 20 Cb 0.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3n3x h ASP 20 CO -0.23 0.27 -0.12 0.25 -1.72 0.00 0.00 179.24 177.70 3n3x h LEU 21 N 0.51 -0.31 -0.62 1.55 5.85 -0.48 -1.42 115.31 120.40 3n3x h LEU 21 Ca 0.22 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3n3x h LEU 21 Cb 0.11 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3n3x h LEU 21 CO -0.14 -0.18 0.32 0.03 -0.34 0.00 0.00 178.44 178.12 3n3x h ARG 22 N -0.27 0.57 0.00 1.25 3.08 -0.93 -2.26 114.38 115.82 3n3x h ARG 22 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3n3x h ARG 22 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3n3x h ARG 22 CO -0.03 0.38 0.00 -0.91 -1.07 0.00 0.00 179.97 178.34 3n3x h ASN 23 N 0.59 0.00 0.88 7.04 2.35 -0.83 -2.35 115.58 123.26 3n3x h ASN 23 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3n3x h ASN 23 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3n3x h ASN 23 CO -0.20 0.00 -0.21 0.00 -1.65 0.00 0.00 177.43 175.37 3n3x n ALA 24 N -1.89 2.76 -2.62 -0.83 0.00 -0.56 -4.78 120.51 112.59 3n3x n ALA 24 Ca 0.02 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 3n3x n ALA 24 Cb 0.27 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 3n3x n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n3x s LEU 25 N -3.25 4.06 0.52 0.00 1.43 -0.88 -5.01 118.68 115.54 3n3x s LEU 25 Ca 0.12 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 53.59 3n3x s LEU 25 Cb 0.17 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 3n3x s LEU 25 CO 0.61 -0.29 1.04 -2.16 0.23 0.00 0.00 176.35 175.77 3n3x s PRO 26 N 2.31 3.65 -0.05 1.29 0.04 -1.26 -5.04 135.00 135.95 3n3x s PRO 26 Ca 0.22 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 3n3x s PRO 26 Cb -0.16 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 3n3x s PRO 26 CO 0.09 -0.54 0.45 -3.38 0.04 0.00 0.00 177.00 173.66 3n3x s HIS 27 N -2.16 -0.38 -0.35 0.56 -3.43 -1.26 -3.95 115.29 104.31 3n3x s HIS 27 Ca 0.66 0.67 0.18 0.00 -0.80 0.00 0.00 55.06 55.77 3n3x s HIS 27 Cb -0.16 0.21 -0.25 0.00 -1.43 0.00 0.00 32.58 30.95 3n3x s HIS 27 CO 0.26 -0.45 0.55 2.41 -2.00 0.00 0.00 174.74 175.51 3n3x n THR 28 N 1.33 0.00 -3.80 -5.38 -1.04 -1.26 -5.02 114.28 99.11 3n3x n THR 28 Ca -0.20 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3n3x n THR 28 Cb 0.56 0.45 -0.11 0.00 -1.82 0.00 0.00 70.33 69.42 3n3x n THR 28 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3n3x s GLU 29 N -3.04 0.41 -0.07 -2.82 2.12 -1.26 -5.09 118.70 108.95 3n3x s GLU 29 Ca -0.01 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.39 3n3x s GLU 29 Cb 0.12 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 3n3x s GLU 29 CO 0.75 -0.08 -0.08 0.15 -0.54 0.00 0.00 175.26 175.46 3n3x s LYS 30 N -0.50 2.77 -0.17 4.30 1.02 -1.26 -0.90 119.74 124.98 3n3x s LYS 30 Ca -0.06 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3n3x s LYS 30 Cb -0.04 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3n3x s LYS 30 CO 0.01 0.63 -0.18 0.08 -0.92 0.00 0.00 175.35 174.97 3n3x s VAL 31 N -0.72 2.26 -1.65 3.17 1.01 0.26 -4.56 120.40 120.16 3n3x s VAL 31 Ca 0.11 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 3n3x s VAL 31 Cb -0.11 -1.95 0.13 0.00 0.00 0.00 0.00 36.38 34.44 3n3x s VAL 31 CO 0.01 0.53 0.66 -1.22 0.00 0.00 0.00 175.10 175.08 3n3x n TYR 32 N 4.46 -1.65 -1.05 5.22 4.01 -1.26 -1.30 117.16 125.59 3n3x n TYR 32 Ca -0.20 0.77 -0.02 0.00 -0.16 0.00 0.00 57.90 58.29 3n3x n TYR 32 Cb 0.51 -3.01 -0.01 0.00 -0.31 0.00 0.00 39.34 36.52 3n3x n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n3x n ASN 33 N -2.72 -4.45 -4.51 7.72 5.15 -1.26 -4.97 115.26 110.22 3n3x n ASN 33 Ca -0.02 0.04 -0.34 0.00 -0.60 0.00 0.00 54.58 53.66 3n3x n ASN 33 Cb 0.54 -2.09 -0.12 0.00 -0.53 0.00 0.00 39.78 37.58 3n3x n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n3x s ILE 34 N -1.64 4.11 0.18 -1.44 1.01 -0.42 -5.04 121.20 117.96 3n3x s ILE 34 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 3n3x s ILE 34 Cb 0.00 -2.83 -0.14 0.00 0.01 0.00 0.00 42.46 39.49 3n3x s ILE 34 CO 0.00 0.46 1.46 -2.65 0.00 0.00 0.00 174.94 174.21 3n3x n PRO 35 N 3.81 1.90 -3.41 2.79 -0.02 -1.26 -0.58 135.00 138.23 3n3x n PRO 35 Ca -0.17 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3n3x n PRO 35 Cb 0.52 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3n3x n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n3x s LEU 36 N 0.56 4.72 0.66 2.45 2.96 -0.08 -1.20 118.68 128.75 3n3x s LEU 36 Ca 0.76 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.95 3n3x s LEU 36 Cb -0.72 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 43.69 3n3x s LEU 36 CO 0.44 -0.42 1.26 -0.76 -1.32 0.00 0.00 176.35 175.56 3n3x s LEU 37 N 1.93 3.51 0.54 -0.68 1.43 -0.19 -4.28 118.68 120.94 3n3x s LEU 37 Ca 0.09 2.53 -0.20 0.00 -1.03 0.00 0.00 54.13 55.52 3n3x s LEU 37 Cb -0.17 -4.61 -0.06 0.00 0.03 0.00 0.00 46.19 41.38 3n3x s LEU 37 CO 0.12 -2.03 1.15 -0.76 0.23 0.00 0.00 176.35 175.06 3n3x s LEU 38 N -4.55 3.77 0.26 1.79 1.43 -1.25 -4.16 118.68 115.96 3n3x s LEU 38 Ca 0.80 2.25 -0.05 0.00 -1.03 0.00 0.00 54.13 56.10 3n3x s LEU 38 Cb -0.34 -4.54 0.30 0.00 0.03 0.00 0.00 46.19 41.63 3n3x s LEU 38 CO 0.40 -1.26 1.89 -0.65 0.23 0.00 0.00 176.35 176.96 3n3x h PRO 39 N 1.24 1.17 -2.28 1.29 0.11 -1.92 -3.44 132.00 128.17 3n3x h PRO 39 Ca -0.50 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.48 3n3x h PRO 39 Cb 1.27 -0.24 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 3n3x h PRO 39 CO 0.57 0.85 0.29 -1.54 -0.21 0.00 0.00 178.00 177.95 3n3x s SER 40 N -6.28 -0.55 -0.02 -2.05 1.04 -1.26 -4.81 113.70 99.76 3n3x s SER 40 Ca -0.12 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.68 3n3x s SER 40 Cb 0.17 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.81 3n3x s SER 40 CO 0.82 -0.68 -0.03 -0.69 0.98 0.00 0.00 173.24 173.63 3n3x s VAL 41 N -2.23 0.36 0.02 5.02 1.01 -1.26 -5.08 120.40 118.25 3n3x s VAL 41 Ca -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3n3x s VAL 41 Cb -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 3n3x s VAL 41 CO -0.01 0.15 0.37 -0.44 0.00 0.00 0.00 175.10 175.18 3n3x s SER 42 N 0.55 6.68 0.00 3.32 0.01 -1.26 -4.53 113.70 118.47 3n3x s SER 42 Ca -0.06 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.02 3n3x s SER 42 Cb -0.09 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3n3x s SER 42 CO -0.01 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 3n3x n GLY 43 N 1.40 -1.02 0.25 3.44 0.00 -1.26 -3.99 105.19 104.01 3n3x n GLY 43 Ca -0.12 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.72 3n3x n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3x h ALA 44 N 0.00 1.30 0.00 4.61 0.00 -1.94 -2.97 119.26 120.27 3n3x h ALA 44 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n3x h ALA 44 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3n3x h ALA 44 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3n3x n GLY 45 N -0.60 -0.86 0.26 0.00 0.00 -1.26 -1.59 105.19 101.15 3n3x n GLY 45 Ca -0.02 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3n3x n GLY 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n3x h ARG 46 N 0.00 0.00 -5.03 1.61 2.43 -1.73 -3.44 114.38 108.22 3n3x h ARG 46 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 3n3x h ARG 46 Cb 0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.28 3n3x h ARG 46 CO 0.00 0.10 -0.75 0.71 -1.51 0.00 0.00 179.97 178.52 3n3x s TYR 47 N -3.81 2.92 0.10 2.20 2.02 -0.62 -0.01 117.35 120.14 3n3x s TYR 47 Ca -0.00 -1.03 -0.23 0.00 -0.37 0.00 0.00 57.07 55.43 3n3x s TYR 47 Cb 0.11 -2.05 -0.07 0.00 -0.40 0.00 0.00 41.96 39.54 3n3x s TYR 47 CO 0.57 -0.56 0.69 -1.17 -1.57 0.00 0.00 175.55 173.51 3n3x s LEU 48 N 1.35 4.54 -0.24 -1.29 2.96 0.84 -4.86 118.68 121.98 3n3x s LEU 48 Ca 0.04 1.45 -0.09 0.00 -0.22 0.00 0.00 54.13 55.30 3n3x s LEU 48 Cb -0.14 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3n3x s LEU 48 CO -0.04 0.19 0.13 -0.76 -1.32 0.00 0.00 176.35 174.55 3n3x s LEU 49 N -0.89 3.92 -0.26 -0.68 1.43 -1.26 -0.50 118.68 120.44 3n3x s LEU 49 Ca 0.33 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 3n3x s LEU 49 Cb -0.21 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3n3x s LEU 49 CO 0.23 0.05 0.07 -0.04 0.23 0.00 0.00 176.35 176.88 3n3x s MET 50 N 1.13 3.43 -0.37 1.70 -1.94 0.38 -1.79 119.30 121.84 3n3x s MET 50 Ca 0.06 -0.63 -0.19 0.00 -1.71 0.00 0.00 55.69 53.23 3n3x s MET 50 Cb -0.14 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.38 3n3x s MET 50 CO 0.05 -0.28 0.55 -1.01 -0.01 0.00 0.00 175.02 174.32 3n3x s HIS 51 N 1.57 3.15 -0.12 -0.03 0.09 0.70 -0.50 115.29 120.15 3n3x s HIS 51 Ca 0.05 0.12 -0.00 0.00 -0.00 0.00 0.00 55.06 55.23 3n3x s HIS 51 Cb -0.16 -3.04 -0.02 0.00 -0.00 0.00 0.00 32.58 29.36 3n3x s HIS 51 CO 0.03 -0.63 -0.10 -0.51 -0.00 0.00 0.00 174.74 173.52 3n3x s LEU 52 N 2.51 2.91 -0.11 0.89 1.43 -0.47 -1.12 118.68 124.73 3n3x s LEU 52 Ca 0.20 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3n3x s LEU 52 Cb -0.15 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 3n3x s LEU 52 CO 0.15 0.22 -0.22 -0.36 0.23 0.00 0.00 176.35 176.37 3n3x s PHE 53 N 0.02 2.63 1.05 0.29 0.08 -0.57 -1.58 117.98 119.90 3n3x s PHE 53 Ca -0.03 -1.05 -0.17 0.00 0.12 0.00 0.00 56.93 55.80 3n3x s PHE 53 Cb -0.14 -1.76 0.23 0.00 -0.57 0.00 0.00 43.02 40.79 3n3x s PHE 53 CO 0.04 -0.43 1.25 0.54 -0.10 0.00 0.00 175.22 176.52 3n3x s ASN 54 N 0.45 2.30 0.39 1.36 2.20 0.08 -1.25 114.94 120.47 3n3x s ASN 54 Ca -0.15 0.39 0.10 0.00 -0.94 0.00 0.00 52.86 52.26 3n3x s ASN 54 Cb -0.17 -0.49 0.88 0.00 -2.00 0.00 0.00 41.25 39.47 3n3x s ASN 54 CO 0.06 -3.25 1.94 1.88 -2.94 0.00 0.00 177.10 174.79 3n3x h TYR 55 N -1.99 0.64 -0.00 1.54 0.05 -1.89 0.10 116.97 115.42 3n3x h TYR 55 Ca -0.44 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3n3x h TYR 55 Cb 1.25 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.79 3n3x h TYR 55 CO -1.55 0.30 -0.04 -0.25 -1.05 0.00 0.00 178.16 175.57 3n3x n ASP 56 N -4.49 0.23 0.00 3.88 8.00 -1.26 -4.46 116.55 118.45 3n3x n ASP 56 Ca 0.12 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.07 3n3x n ASP 56 Cb 0.36 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3n3x n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n3x n GLY 57 N 1.21 0.74 3.78 0.44 0.00 0.02 -5.05 105.19 106.34 3n3x n GLY 57 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3n3x n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n3x s ASN 58 N -2.79 5.87 0.05 1.61 0.01 -1.26 -4.74 114.94 113.68 3n3x s ASN 58 Ca 0.00 2.06 0.02 0.00 -0.71 0.00 0.00 52.86 54.23 3n3x s ASN 58 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3n3x s ASN 58 CO 0.00 -1.11 -0.08 0.28 -1.51 0.00 0.00 177.10 174.68 3n3x s THR 59 N -1.93 0.60 0.13 1.60 -1.32 -1.26 -0.74 115.64 112.71 3n3x s THR 59 Ca 0.70 -1.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.02 3n3x s THR 59 Cb -0.21 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3n3x s THR 59 CO 0.27 -0.45 -0.15 0.27 -2.21 0.00 0.00 174.62 172.35 3n3x s ILE 60 N -1.71 1.44 -0.17 5.08 -4.36 -0.62 -4.50 121.20 116.36 3n3x s ILE 60 Ca -0.06 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 3n3x s ILE 60 Cb -0.08 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.04 3n3x s ILE 60 CO -0.00 -0.37 -0.09 -0.89 0.24 0.00 0.00 174.94 173.83 3n3x s THR 61 N -2.04 3.26 -0.17 8.37 2.01 -0.51 -1.37 115.64 125.19 3n3x s THR 61 Ca 0.10 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3n3x s THR 61 Cb -0.05 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3n3x s THR 61 CO 0.04 0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.75 3n3x s VAL 62 N 0.77 4.07 -0.21 3.82 1.01 0.35 0.01 120.40 130.21 3n3x s VAL 62 Ca -0.04 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 3n3x s VAL 62 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3n3x s VAL 62 CO 0.02 0.47 0.54 0.00 0.00 0.00 0.00 175.10 176.13 3n3x s ALA 63 N 0.49 3.55 -0.12 5.51 0.00 -0.11 -0.47 121.76 130.61 3n3x s ALA 63 Ca -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3n3x s ALA 63 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3n3x s ALA 63 CO 0.02 -0.50 -0.19 0.08 0.00 0.00 0.00 175.76 175.18 3n3x s VAL 64 N 1.77 1.78 -0.13 0.00 1.01 0.35 -0.64 120.40 124.53 3n3x s VAL 64 Ca 0.24 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3n3x s VAL 64 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3n3x s VAL 64 CO 0.10 0.50 1.53 -0.62 0.00 0.00 0.00 175.10 176.60 3n3x s ASP 65 N 0.82 6.68 0.03 3.32 -1.08 -0.07 -0.11 116.67 126.26 3n3x s ASP 65 Ca -0.09 1.92 0.20 0.00 -0.52 0.00 0.00 52.55 54.06 3n3x s ASP 65 Cb -0.16 -2.53 0.84 0.00 -1.46 0.00 0.00 42.92 39.61 3n3x s ASP 65 CO -0.00 -0.96 1.64 1.33 0.52 0.00 0.00 175.17 177.70 3n3x n VAL 66 N 5.67 0.67 0.11 1.11 0.24 0.98 0.16 118.33 127.27 3n3x n VAL 66 Ca 0.17 0.15 0.03 0.00 -2.04 0.00 0.00 64.34 62.64 3n3x n VAL 66 Cb 0.44 -0.85 -0.01 0.00 -1.47 0.00 0.00 33.84 31.95 3n3x n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3n3x h THR 67 N 0.00 0.67 0.00 3.34 1.35 -1.84 -3.41 112.91 113.02 3n3x h THR 67 Ca 0.00 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3n3x h THR 67 Cb 0.36 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3n3x h THR 67 CO 0.00 0.38 0.00 -0.46 -0.25 0.00 0.00 175.52 175.19 3n3x n ASN 68 N -3.08 0.00 -1.78 5.36 0.23 -1.11 -4.59 115.26 110.29 3n3x n ASN 68 Ca -0.02 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.85 3n3x n ASN 68 Cb 0.75 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.42 3n3x n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3n3x n VAL 69 N 0.00 -0.52 -3.06 3.53 0.31 0.12 -4.96 118.33 113.76 3n3x n VAL 69 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3n3x n VAL 69 Cb 0.36 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 30.95 3n3x n VAL 69 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3n3x s TYR 70 N -2.80 3.41 -0.04 3.52 5.04 -1.20 -4.80 117.35 120.48 3n3x s TYR 70 Ca 0.00 1.03 -0.30 0.00 -2.44 0.00 0.00 57.07 55.36 3n3x s TYR 70 Cb 0.00 -2.85 -0.03 0.00 0.35 0.00 0.00 41.96 39.43 3n3x s TYR 70 CO 0.00 -0.16 1.20 0.42 -1.34 0.00 0.00 175.55 175.67 3n3x s ILE 71 N 1.85 4.25 -0.18 3.14 1.01 -1.26 -0.89 121.20 129.11 3n3x s ILE 71 Ca 0.32 1.58 0.10 0.00 0.00 0.00 0.00 60.65 62.65 3n3x s ILE 71 Cb -0.16 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.07 3n3x s ILE 71 CO 0.11 0.01 0.12 0.23 0.00 0.00 0.00 174.94 175.42 3n3x n MET 72 N 5.07 0.68 -3.27 2.79 2.81 0.19 -4.95 117.12 120.43 3n3x n MET 72 Ca 0.11 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 3n3x n MET 72 Cb 0.46 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3n3x n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3x n GLY 73 N 1.88 -1.44 3.46 3.03 0.00 -1.24 -2.18 105.19 108.71 3n3x n GLY 73 Ca -0.34 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3n3x n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n3x s TYR 74 N -2.49 -0.33 -0.14 1.61 1.13 0.11 -0.94 117.35 116.29 3n3x s TYR 74 Ca 0.00 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.70 3n3x s TYR 74 Cb 0.00 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 3n3x s TYR 74 CO 0.00 -0.87 -0.12 -1.17 -2.51 0.00 0.00 175.55 170.88 3n3x s LEU 75 N -2.81 2.76 -0.26 -3.49 2.96 0.10 -0.44 118.68 117.50 3n3x s LEU 75 Ca 0.04 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3n3x s LEU 75 Cb -0.01 -1.63 0.08 0.00 0.50 0.00 0.00 46.19 45.13 3n3x s LEU 75 CO -0.09 0.15 0.04 0.00 -1.32 0.00 0.00 176.35 175.14 3n3x s ALA 76 N 0.43 1.56 0.00 5.97 0.00 -0.33 -1.43 121.76 127.96 3n3x s ALA 76 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3n3x s ALA 76 Cb -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3n3x s ALA 76 CO 0.05 -1.42 0.00 -0.11 0.00 0.00 0.00 175.76 174.28 3n3x n LEU 77 N 4.83 0.00 -0.88 0.00 7.94 -1.26 -1.96 117.00 125.67 3n3x n LEU 77 Ca -0.06 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.91 3n3x n LEU 77 Cb 0.44 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.61 3n3x n LEU 77 CO 0.14 0.00 0.69 0.35 -1.11 0.00 0.00 177.39 177.46 3n3x n THR 78 N 0.00 1.58 -5.13 1.96 -2.24 -1.26 -4.93 114.28 104.26 3n3x n THR 78 Ca 0.00 -1.34 -0.32 0.00 -2.27 0.00 0.00 64.05 60.12 3n3x n THR 78 Cb 0.00 0.18 -0.17 0.00 -2.10 0.00 0.00 70.33 68.24 3n3x n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n3x s THR 79 N -1.78 2.00 0.15 4.28 2.01 -0.83 0.26 115.64 121.73 3n3x s THR 79 Ca 0.34 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 3n3x s THR 79 Cb 0.23 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 3n3x s THR 79 CO 0.15 0.55 0.37 -0.94 -0.69 0.00 0.00 174.62 174.06 3n3x s SER 80 N 0.40 6.47 -0.04 3.53 1.04 -0.60 -1.19 113.70 123.32 3n3x s SER 80 Ca -0.18 0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.82 3n3x s SER 80 Cb -0.18 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 63.89 3n3x s SER 80 CO 0.08 0.05 -0.05 -0.31 0.98 0.00 0.00 173.24 173.98 3n3x s TYR 81 N -1.68 0.76 0.03 5.02 2.02 0.42 -0.45 117.35 123.46 3n3x s TYR 81 Ca 0.41 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 3n3x s TYR 81 Cb -0.12 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3n3x s TYR 81 CO 0.25 -0.18 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.85 3n3x s PHE 82 N 0.86 1.22 0.63 2.71 0.08 -0.54 -0.72 117.98 122.23 3n3x s PHE 82 Ca -0.12 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.42 3n3x s PHE 82 Cb -0.14 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3n3x s PHE 82 CO 0.00 0.02 1.27 1.19 -0.10 0.00 0.00 175.22 177.61 3n3x n PHE 83 N 2.06 1.87 -2.55 0.36 3.72 -0.93 -0.28 117.46 121.72 3n3x n PHE 83 Ca -0.17 0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 3n3x n PHE 83 Cb 0.55 -2.27 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 3n3x n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3n3x n ASN 84 N -1.70 4.89 -3.61 4.37 5.15 0.27 -4.42 115.26 120.21 3n3x n ASN 84 Ca 0.15 -2.94 -0.16 0.00 -0.60 0.00 0.00 54.58 51.03 3n3x n ASN 84 Cb 0.48 -1.66 -0.07 0.00 -0.53 0.00 0.00 39.78 37.99 3n3x n ASN 84 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3n3x s GLU 85 N 2.97 0.90 0.27 1.20 -1.05 -1.26 -3.83 118.70 117.90 3n3x s GLU 85 Ca 0.49 0.24 0.01 0.00 -0.15 0.00 0.00 54.97 55.55 3n3x s GLU 85 Cb 0.04 0.42 0.56 0.00 -0.44 0.00 0.00 34.13 34.71 3n3x s GLU 85 CO 0.03 -0.25 1.80 -1.35 0.95 0.00 0.00 175.26 176.44 3n3x h PRO 86 N 3.59 0.79 -0.71 -4.83 0.11 -2.00 -1.16 132.00 127.78 3n3x h PRO 86 Ca -0.28 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 3n3x h PRO 86 Cb 1.15 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3n3x h PRO 86 CO 0.35 0.52 0.31 0.00 -0.21 0.00 0.00 178.00 178.97 3n3x h ALA 87 N 1.55 1.21 -0.13 -0.75 0.00 -1.97 -0.75 119.26 118.42 3n3x h ALA 87 Ca 0.49 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 3n3x h ALA 87 Cb 0.60 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3n3x h ALA 87 CO -0.31 0.59 -0.80 0.00 0.00 0.00 0.00 179.25 178.73 3n3x h ALA 88 N 1.32 0.34 -0.54 0.00 0.00 -1.62 -1.58 119.26 117.17 3n3x h ALA 88 Ca 0.24 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3n3x h ALA 88 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3n3x h ALA 88 CO -0.03 0.70 0.33 0.22 0.00 0.00 0.00 179.25 180.47 3n3x h ASP 89 N 0.49 0.55 -0.34 0.00 3.58 -1.01 -1.22 116.42 118.47 3n3x h ASP 89 Ca -0.06 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.44 3n3x h ASP 89 Cb 1.42 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 3n3x h ASP 89 CO 0.16 0.39 0.08 0.25 -2.88 0.00 0.00 179.24 177.24 3n3x h LEU 90 N 0.66 0.04 -1.10 2.28 5.85 -1.07 -1.83 115.31 120.15 3n3x h LEU 90 Ca 0.21 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.12 3n3x h LEU 90 Cb -0.00 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 3n3x h LEU 90 CO -0.08 0.06 0.61 0.00 -0.34 0.00 0.00 178.44 178.69 3n3x h ALA 91 N 1.24 1.65 0.00 1.25 0.00 -0.80 -0.28 119.26 122.33 3n3x h ALA 91 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3n3x h ALA 91 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n3x h ALA 91 CO -0.19 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 3n3x n SER 92 N -4.63 0.00 0.19 0.00 3.41 -0.51 -0.78 113.62 111.31 3n3x n SER 92 Ca 0.19 0.42 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3n3x n SER 92 Cb 0.44 -0.45 0.14 0.00 -0.26 0.00 0.00 64.21 64.08 3n3x n SER 92 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3n3x h GLN 93 N 0.00 0.00 0.00 4.33 4.20 -0.99 -3.39 115.11 119.26 3n3x h GLN 93 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3n3x h GLN 93 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3n3x h GLN 93 CO 0.00 0.22 -1.26 0.66 -0.67 0.00 0.00 178.83 177.78 3n3x n TYR 94 N -3.17 0.00 -4.45 2.96 4.01 0.04 -4.98 117.16 111.58 3n3x n TYR 94 Ca 0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.46 3n3x n TYR 94 Cb 0.60 -0.18 -0.11 0.00 -0.31 0.00 0.00 39.34 39.34 3n3x n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3n3x s VAL 95 N -2.09 3.16 -1.66 -0.72 -7.23 -0.67 -4.66 120.40 106.53 3n3x s VAL 95 Ca -0.03 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3n3x s VAL 95 Cb 0.01 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3n3x s VAL 95 CO 0.14 0.26 0.00 0.49 -0.31 0.00 0.00 175.10 175.68 3n3x n PHE 96 N 1.22 -0.39 0.21 2.82 3.72 -1.26 -4.68 117.46 119.10 3n3x n PHE 96 Ca -0.15 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.40 3n3x n PHE 96 Cb 0.52 -3.19 0.77 0.00 -0.94 0.00 0.00 39.48 36.65 3n3x n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n3x h ARG 97 N 0.00 0.00 -0.03 -1.08 3.08 -1.86 -1.63 114.38 112.87 3n3x h ARG 97 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3n3x h ARG 97 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3n3x h ARG 97 CO 0.50 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.83 3n3x n SER 98 N -4.11 0.72 -4.71 7.04 7.64 -1.26 -4.87 113.62 114.06 3n3x n SER 98 Ca 0.01 -1.32 -0.39 0.00 1.01 0.00 0.00 58.87 58.18 3n3x n SER 98 Cb 0.26 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.49 3n3x n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n3x n ALA 99 N -0.40 1.25 0.07 -0.43 0.00 -0.61 -4.93 120.51 115.46 3n3x n ALA 99 Ca 0.20 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 3n3x n ALA 99 Cb 0.21 -2.30 0.12 0.00 0.00 0.00 0.00 19.45 17.49 3n3x n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3x h ARG 100 N 1.24 0.30 -3.89 0.00 3.08 -0.53 -3.45 114.38 111.12 3n3x h ARG 100 Ca -0.50 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.22 3n3x h ARG 100 Cb 1.32 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 31.21 3n3x h ARG 100 CO 0.56 0.79 -0.58 -0.98 -1.07 0.00 0.00 179.97 178.68 3n3x s ARG 101 N -3.84 0.52 -0.18 0.04 1.70 -1.19 -5.07 118.95 110.94 3n3x s ARG 101 Ca -0.05 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.45 3n3x s ARG 101 Cb 0.12 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3n3x s ARG 101 CO 0.80 -0.12 -0.17 0.21 -1.08 0.00 0.00 175.30 174.94 3n3x s LYS 102 N -2.48 3.07 -0.21 3.89 2.20 -1.26 -1.55 119.74 123.40 3n3x s LYS 102 Ca -0.06 -0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 54.66 3n3x s LYS 102 Cb -0.02 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 3n3x s LYS 102 CO -0.04 -0.17 0.12 0.42 -0.36 0.00 0.00 175.35 175.32 3n3x s ILE 103 N 1.24 5.26 -0.26 5.43 1.01 0.40 -4.98 121.20 129.31 3n3x s ILE 103 Ca 0.03 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 3n3x s ILE 103 Cb -0.14 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3n3x s ILE 103 CO -0.09 0.42 0.66 -0.89 0.00 0.00 0.00 174.94 175.04 3n3x s THR 104 N 0.53 4.95 0.60 2.92 2.01 -1.26 -1.47 115.64 123.92 3n3x s THR 104 Ca 0.07 1.17 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 3n3x s THR 104 Cb -0.12 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3n3x s THR 104 CO -0.00 -0.01 1.33 0.18 -0.69 0.00 0.00 174.62 175.43 3n3x n LEU 105 N 5.78 5.85 -2.02 4.42 4.77 0.62 -4.89 117.00 131.53 3n3x n LEU 105 Ca 0.00 0.90 -0.17 0.00 -0.03 0.00 0.00 56.01 56.71 3n3x n LEU 105 Cb 0.49 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 3n3x n LEU 105 CO 0.44 -0.79 1.34 -0.81 -1.33 0.00 0.00 177.39 176.24 3n3x n PRO 106 N -1.50 1.89 -3.52 3.23 -0.04 -1.26 -3.64 135.00 130.17 3n3x n PRO 106 Ca 0.13 -1.51 -0.10 0.00 -0.04 0.00 0.00 63.50 61.98 3n3x n PRO 106 Cb 0.46 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 3n3x n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n3x s TYR 107 N -1.22 -0.40 1.06 0.54 1.13 -1.26 -5.02 117.35 112.18 3n3x s TYR 107 Ca 0.39 0.44 -0.17 0.00 -1.41 0.00 0.00 57.07 56.32 3n3x s TYR 107 Cb 0.26 0.50 0.23 0.00 -1.10 0.00 0.00 41.96 41.85 3n3x s TYR 107 CO -0.06 -0.51 1.21 -1.54 -2.51 0.00 0.00 175.55 172.13 3n3x s SER 108 N -1.97 2.21 0.00 -0.18 1.04 -1.25 -0.57 113.70 112.99 3n3x s SER 108 Ca 0.01 0.50 0.20 0.00 0.48 0.00 0.00 55.95 57.14 3n3x s SER 108 Cb -0.01 -0.68 0.53 0.00 0.10 0.00 0.00 66.02 65.96 3n3x s SER 108 CO -0.04 -3.31 1.45 0.61 0.98 0.00 0.00 173.24 172.93 3n3x n GLY 109 N -2.40 1.62 3.85 7.32 0.00 -1.26 -4.41 105.19 109.90 3n3x n GLY 109 Ca 0.13 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3n3x n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3x s ASN 110 N -1.22 6.23 0.21 1.61 2.20 -1.26 -4.89 114.94 117.83 3n3x s ASN 110 Ca 0.39 1.53 -0.09 0.00 -0.94 0.00 0.00 52.86 53.75 3n3x s ASN 110 Cb 0.21 -2.49 0.22 0.00 -2.00 0.00 0.00 41.25 37.19 3n3x s ASN 110 CO 0.29 -0.86 1.84 1.88 -2.94 0.00 0.00 177.10 177.31 3n3x h TYR 111 N 0.16 0.82 -0.22 1.54 0.05 -1.99 -1.21 116.97 116.12 3n3x h TYR 111 Ca -0.45 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3n3x h TYR 111 Cb 1.19 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 3n3x h TYR 111 CO 0.64 0.45 0.15 0.93 -1.05 0.00 0.00 178.16 179.28 3n3x h GLU 112 N 0.85 0.29 -0.49 4.88 4.39 -1.98 -0.36 114.58 122.16 3n3x h GLU 112 Ca 0.30 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 3n3x h GLU 112 Cb 0.06 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3n3x h GLU 112 CO -0.13 0.19 0.15 0.00 -1.16 0.00 0.00 179.01 178.07 3n3x h ARG 113 N 0.30 0.77 -0.62 2.33 2.47 -1.84 -2.32 114.38 115.46 3n3x h ARG 113 Ca 0.08 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 3n3x h ARG 113 Cb -0.03 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 3n3x h ARG 113 CO -0.02 0.72 0.29 -0.07 0.56 0.00 0.00 179.97 181.45 3n3x h LEU 114 N 0.67 0.83 -0.98 3.04 3.38 -1.04 -1.35 115.31 119.84 3n3x h LEU 114 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3n3x h LEU 114 Cb 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3n3x h LEU 114 CO -0.00 0.73 0.43 1.56 0.09 0.00 0.00 178.44 181.25 3n3x h GLN 115 N 0.86 1.15 -0.09 1.13 4.20 -1.00 0.37 115.11 121.73 3n3x h GLN 115 Ca 0.21 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3n3x h GLN 115 Cb 0.14 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3n3x h GLN 115 CO -0.03 0.85 0.04 0.82 -0.67 0.00 0.00 178.83 179.85 3n3x h ILE 116 N 1.15 1.11 -0.73 2.54 2.04 -1.09 -0.14 117.51 122.40 3n3x h ILE 116 Ca 0.29 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3n3x h ILE 116 Cb 0.05 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3n3x h ILE 116 CO -0.04 0.10 0.34 0.00 0.00 0.00 0.00 178.15 178.55 3n3x h ALA 117 N 0.91 1.23 0.00 1.87 0.00 -0.91 -2.67 119.26 119.69 3n3x h ALA 117 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3n3x h ALA 117 Cb 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3n3x h ALA 117 CO -0.00 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3n3x h ALA 118 N 1.34 0.98 -0.14 0.00 0.00 -0.80 -3.44 119.26 117.19 3n3x h ALA 118 Ca 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3n3x h ALA 118 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3n3x h ALA 118 CO -0.03 0.05 -0.05 0.41 0.00 0.00 0.00 179.25 179.62 3n3x n GLY 119 N 0.92 0.61 3.27 0.00 0.00 -0.11 -4.90 105.19 104.99 3n3x n GLY 119 Ca 0.03 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3n3x n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3x s LYS 120 N -1.92 0.44 0.78 1.61 1.02 -0.95 -5.04 119.74 115.68 3n3x s LYS 120 Ca 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 55.97 56.44 3n3x s LYS 120 Cb 0.00 0.19 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 3n3x s LYS 120 CO 0.00 -0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.20 3n3x s PRO 121 N 0.36 2.25 0.31 -1.68 0.04 -1.26 -4.48 135.00 130.54 3n3x s PRO 121 Ca -0.01 0.67 -0.00 0.00 0.04 0.00 0.00 61.00 61.70 3n3x s PRO 121 Cb -0.03 -1.93 0.52 0.00 0.04 0.00 0.00 34.50 33.09 3n3x s PRO 121 CO -0.01 -1.51 1.97 0.00 0.04 0.00 0.00 177.00 177.49 3n3x h ARG 122 N -1.01 1.00 -0.08 4.56 3.08 -1.95 -1.88 114.38 118.10 3n3x h ARG 122 Ca -0.46 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.55 3n3x h ARG 122 Cb 1.26 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3n3x h ARG 122 CO 0.59 0.66 0.46 0.93 -1.07 0.00 0.00 179.97 181.55 3n3x h GLU 123 N 1.03 0.00 -0.01 0.04 3.07 -1.92 0.02 114.58 116.80 3n3x h GLU 123 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3n3x h GLU 123 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3n3x h GLU 123 CO -0.08 0.00 -0.18 1.63 -1.40 0.00 0.00 179.01 178.99 3n3x n LYS 124 N -2.94 1.52 -3.58 2.33 5.02 -0.71 -4.68 118.16 115.12 3n3x n LYS 124 Ca 0.00 -1.03 -0.41 0.00 -2.02 0.00 0.00 58.31 54.86 3n3x n LYS 124 Cb 0.53 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 3n3x n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n3x s ILE 125 N -1.56 4.72 0.45 -0.18 1.01 -0.01 -4.98 121.20 120.64 3n3x s ILE 125 Ca 0.14 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 3n3x s ILE 125 Cb 0.12 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3n3x s ILE 125 CO 0.29 -0.21 1.39 -2.65 0.00 0.00 0.00 174.94 173.77 3n3x n PRO 126 N 5.03 2.16 -4.42 2.79 -0.02 -1.26 -4.34 135.00 134.94 3n3x n PRO 126 Ca -0.12 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 3n3x n PRO 126 Cb 0.47 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 3n3x n PRO 126 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3n3x s ILE 127 N -1.20 1.43 -5.00 4.25 -4.36 -0.72 -4.84 121.20 110.77 3n3x s ILE 127 Ca 0.61 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3n3x s ILE 127 Cb -0.46 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.74 3n3x s ILE 127 CO 0.57 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 176.12 3n3x n GLY 128 N -0.58 -0.29 0.20 6.27 0.00 -1.26 -1.61 105.19 107.92 3n3x n GLY 128 Ca -0.05 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 3n3x n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n3x h LEU 129 N 0.00 0.67 -0.74 0.99 3.38 -1.51 -1.27 115.31 116.83 3n3x h LEU 129 Ca 0.00 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.58 3n3x h LEU 129 Cb 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3n3x h LEU 129 CO 0.00 1.00 0.41 -0.65 0.09 0.00 0.00 178.44 179.29 3n3x h PRO 130 N 0.36 0.70 -0.76 1.13 0.11 -1.76 -0.77 132.00 131.01 3n3x h PRO 130 Ca 0.04 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3n3x h PRO 130 Cb 0.80 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 3n3x h PRO 130 CO 0.06 0.47 0.50 0.00 -0.21 0.00 0.00 178.00 178.82 3n3x h ALA 131 N 1.41 1.44 -0.64 -0.75 0.00 -1.84 -1.47 119.26 117.40 3n3x h ALA 131 Ca 0.35 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3n3x h ALA 131 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3n3x h ALA 131 CO -0.22 0.51 0.09 1.25 0.00 0.00 0.00 179.25 180.88 3n3x h LEU 132 N 1.04 1.02 -0.31 0.00 5.85 -0.33 0.47 115.31 123.05 3n3x h LEU 132 Ca 0.28 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3n3x h LEU 132 Cb -0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.61 3n3x h LEU 132 CO -0.06 1.02 0.06 -0.78 -0.34 0.00 0.00 178.44 178.34 3n3x h ASP 133 N 0.99 0.01 -0.74 1.25 3.58 -0.37 -1.37 116.42 119.77 3n3x h ASP 133 Ca 0.19 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.73 3n3x h ASP 133 Cb 0.45 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 3n3x h ASP 133 CO 0.01 0.04 0.47 0.74 -2.88 0.00 0.00 179.24 177.63 3n3x h THR 134 N 0.17 1.10 -0.39 2.25 2.02 -0.84 -2.08 112.91 115.14 3n3x h THR 134 Ca 0.14 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3n3x h THR 134 Cb 0.15 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3n3x h THR 134 CO -0.19 0.17 0.11 0.00 0.37 0.00 0.00 175.52 175.98 3n3x h ALA 135 N 1.32 0.52 -0.23 6.16 0.00 -0.28 0.40 119.26 127.14 3n3x h ALA 135 Ca 0.30 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3n3x h ALA 135 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3n3x h ALA 135 CO -0.11 0.17 0.09 0.82 0.00 0.00 0.00 179.25 180.22 3n3x h ILE 136 N 0.49 0.97 -0.54 0.00 2.04 -1.10 -0.82 117.51 118.55 3n3x h ILE 136 Ca 0.13 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3n3x h ILE 136 Cb 0.28 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3n3x h ILE 136 CO -0.00 0.04 0.30 0.28 0.00 0.00 0.00 178.15 178.77 3n3x h SER 137 N 0.21 0.47 -0.55 1.72 0.02 -1.02 -2.24 113.55 112.16 3n3x h SER 137 Ca 0.10 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3n3x h SER 137 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3n3x h SER 137 CO -0.09 0.33 0.34 0.74 -1.14 0.00 0.00 176.83 177.01 3n3x h THR 138 N 0.60 1.08 0.00 -2.27 2.02 -0.63 -2.74 112.91 110.96 3n3x h THR 138 Ca 0.22 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3n3x h THR 138 Cb 0.07 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3n3x h THR 138 CO -0.12 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3n3x n LEU 139 N -4.76 0.49 0.22 2.58 4.77 -0.34 -3.00 117.00 116.97 3n3x n LEU 139 Ca 0.04 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.69 3n3x n LEU 139 Cb 0.06 -0.53 0.49 0.00 -2.33 0.00 0.00 43.42 41.12 3n3x n LEU 139 CO 0.33 -0.42 0.86 -0.07 -1.33 0.00 0.00 177.39 176.76 3n3x h LEU 140 N 0.00 0.00 -7.85 2.23 3.38 -1.14 -3.42 115.31 108.51 3n3x h LEU 140 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3n3x h LEU 140 Cb 0.38 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.82 3n3x h LEU 140 CO 0.00 0.23 -0.77 -1.00 0.09 0.00 0.00 178.44 176.99 3n3x s HIS 141 N -4.41 0.74 0.13 1.13 3.76 -1.16 -4.81 115.29 110.67 3n3x s HIS 141 Ca -0.03 -0.18 -0.31 0.00 -0.15 0.00 0.00 55.06 54.38 3n3x s HIS 141 Cb 0.15 -0.58 -0.10 0.00 1.11 0.00 0.00 32.58 33.16 3n3x s HIS 141 CO 0.69 -0.12 1.69 -0.47 -0.85 0.00 0.00 174.74 175.68 3n3x s TYR 142 N 0.44 2.59 -0.31 1.40 5.04 -1.26 -4.94 117.35 120.30 3n3x s TYR 142 Ca -0.06 0.31 0.05 0.00 -2.44 0.00 0.00 57.07 54.93 3n3x s TYR 142 Cb -0.10 -4.04 0.18 0.00 0.35 0.00 0.00 41.96 38.35 3n3x s TYR 142 CO 0.00 -4.10 0.54 0.34 -1.34 0.00 0.00 175.55 171.00 3n3x s ASP 143 N 1.96 -1.00 0.24 4.32 -1.08 -1.26 -5.08 116.67 114.77 3n3x s ASP 143 Ca 0.75 -0.20 -0.06 0.00 -0.52 0.00 0.00 52.55 52.51 3n3x s ASP 143 Cb -0.44 1.73 0.24 0.00 -1.46 0.00 0.00 42.92 42.99 3n3x s ASP 143 CO 0.33 -0.29 1.86 0.77 0.52 0.00 0.00 175.17 178.37 3n3x h SER 144 N 7.82 1.11 -0.18 -0.34 4.64 -1.98 0.32 113.55 124.93 3n3x h SER 144 Ca -0.01 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3n3x h SER 144 Cb 1.16 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3n3x h SER 144 CO 0.17 0.89 0.02 0.74 -0.87 0.00 0.00 176.83 177.77 3n3x h THR 145 N 1.24 1.24 -0.65 2.95 2.02 -1.98 -2.17 112.91 115.56 3n3x h THR 145 Ca 0.31 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3n3x h THR 145 Cb 0.03 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3n3x h THR 145 CO -0.05 0.24 0.14 0.00 0.37 0.00 0.00 175.52 176.22 3n3x h ALA 146 N 0.80 1.02 -0.57 6.16 0.00 -1.81 -2.89 119.26 121.97 3n3x h ALA 146 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3n3x h ALA 146 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3n3x h ALA 146 CO 0.01 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.20 3n3x h ALA 147 N 1.16 1.47 -0.31 0.00 0.00 -0.27 -1.61 119.26 119.70 3n3x h ALA 147 Ca 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3n3x h ALA 147 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3n3x h ALA 147 CO 0.00 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.88 3n3x h ALA 148 N 1.55 0.39 -0.46 0.00 0.00 -1.17 0.28 119.26 119.85 3n3x h ALA 148 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3n3x h ALA 148 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3n3x h ALA 148 CO -0.03 -0.17 0.17 0.78 0.00 0.00 0.00 179.25 179.99 3n3x h GLY 149 N 0.39 0.75 0.82 0.00 0.00 -1.55 -1.39 103.07 102.09 3n3x h GLY 149 Ca 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3n3x h GLY 149 CO -0.05 0.39 0.43 0.00 0.00 0.00 0.00 176.54 177.31 3n3x h ALA 150 N 1.02 0.92 -0.42 3.60 0.00 -0.88 -1.79 119.26 121.71 3n3x h ALA 150 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3n3x h ALA 150 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3n3x h ALA 150 CO -0.01 0.18 -0.17 -0.07 0.00 0.00 0.00 179.25 179.18 3n3x h LEU 151 N 0.82 0.81 -0.93 0.00 3.38 -0.21 0.68 115.31 119.86 3n3x h LEU 151 Ca 0.29 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3n3x h LEU 151 Cb 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3n3x h LEU 151 CO -0.13 0.97 0.61 -0.07 0.09 0.00 0.00 178.44 179.92 3n3x h LEU 152 N 0.72 1.05 -0.25 1.67 3.38 -0.76 0.13 115.31 121.24 3n3x h LEU 152 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3n3x h LEU 152 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3n3x h LEU 152 CO 0.05 0.75 -0.01 0.58 0.09 0.00 0.00 178.44 179.90 3n3x h VAL 153 N 1.23 1.26 -0.17 1.22 2.07 -0.88 -2.94 116.25 118.05 3n3x h VAL 153 Ca 0.35 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3n3x h VAL 153 Cb -0.09 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3n3x h VAL 153 CO -0.09 0.29 0.11 0.25 0.02 0.00 0.00 177.57 178.15 3n3x h LEU 154 N 0.21 0.20 -0.50 2.57 5.85 -0.36 -1.32 115.31 121.96 3n3x h LEU 154 Ca 0.07 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3n3x h LEU 154 Cb 0.43 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3n3x h LEU 154 CO 0.01 0.15 0.28 0.40 -0.34 0.00 0.00 178.44 178.95 3n3x h ILE 155 N 0.22 1.02 -0.03 4.05 2.04 -0.80 -1.97 117.51 122.04 3n3x h ILE 155 Ca 0.06 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 3n3x h ILE 155 Cb -0.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3n3x h ILE 155 CO -0.01 0.10 -0.69 1.56 0.00 0.00 0.00 178.15 179.11 3n3x h GLN 156 N 0.56 0.17 -0.00 2.37 4.20 -1.31 -1.13 115.11 119.97 3n3x h GLN 156 Ca 0.21 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3n3x h GLN 156 Cb 0.06 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3n3x h GLN 156 CO -0.11 0.79 -0.16 0.25 -0.67 0.00 0.00 178.83 178.93 3n3x n THR 157 N -3.79 0.00 0.00 -0.54 -2.24 -0.52 -3.01 114.28 104.19 3n3x n THR 157 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3n3x n THR 157 Cb 0.68 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3n3x n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3n3x n THR 158 N -1.02 0.00 -0.16 4.28 -2.24 -0.76 -4.70 114.28 109.67 3n3x n THR 158 Ca 0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.83 3n3x n THR 158 Cb 0.30 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.82 3n3x n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n3x h ALA 159 N 0.00 0.62 -0.44 6.98 0.00 -1.43 -0.42 119.26 124.57 3n3x h ALA 159 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3n3x h ALA 159 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3n3x h ALA 159 CO 0.00 0.11 -0.28 0.93 0.00 0.00 0.00 179.25 180.00 3n3x h GLU 160 N 0.65 0.96 -0.97 0.00 4.39 -1.49 -1.54 114.58 116.58 3n3x h GLU 160 Ca 0.17 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.44 3n3x h GLU 160 Cb -0.01 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 3n3x h GLU 160 CO -0.03 1.11 0.64 0.00 -1.16 0.00 0.00 179.01 179.57 3n3x h ALA 161 N 0.86 1.31 -0.76 3.43 0.00 -1.42 -1.33 119.26 121.35 3n3x h ALA 161 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3n3x h ALA 161 Cb 0.87 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3n3x h ALA 161 CO 0.08 0.64 0.36 0.00 0.00 0.00 0.00 179.25 180.33 3n3x h ALA 162 N 1.40 0.98 -0.13 0.00 0.00 -0.67 -3.17 119.26 117.67 3n3x h ALA 162 Ca 0.36 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3n3x h ALA 162 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3n3x h ALA 162 CO -0.08 0.54 -0.56 0.00 0.00 0.00 0.00 179.25 179.15 3n3x h ARG 163 N 1.07 0.39 -3.97 0.00 3.08 -0.69 -3.42 114.38 110.83 3n3x h ARG 163 Ca 0.26 -0.25 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3n3x h ARG 163 Cb 0.12 0.03 -0.36 0.00 0.08 0.00 0.00 29.97 29.84 3n3x h ARG 163 CO -0.03 0.85 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.88 3n3x s PHE 164 N -3.90 0.93 0.31 3.04 0.08 -0.56 -0.21 117.98 117.67 3n3x s PHE 164 Ca -0.06 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.67 3n3x s PHE 164 Cb 0.12 -0.88 0.55 0.00 -0.57 0.00 0.00 43.02 42.24 3n3x s PHE 164 CO 0.82 -0.33 1.92 -0.22 -0.10 0.00 0.00 175.22 177.31 3n3x h LYS 165 N 7.86 0.97 -0.63 0.44 1.63 -1.28 -1.90 116.57 123.66 3n3x h LYS 165 Ca -0.28 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.53 3n3x h LYS 165 Cb 1.14 -0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.49 3n3x h LYS 165 CO 0.37 0.64 0.31 -0.92 -3.45 0.00 0.00 179.45 176.41 3n3x h TYR 166 N 1.00 0.57 -0.38 1.91 3.20 -1.91 -0.70 116.97 120.66 3n3x h TYR 166 Ca 0.38 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.15 3n3x h TYR 166 Cb 0.21 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3n3x h TYR 166 CO -0.00 0.24 -0.27 0.82 -1.64 0.00 0.00 178.16 177.31 3n3x h ILE 167 N 0.57 1.28 -0.38 1.81 2.04 -1.67 -0.83 117.51 120.33 3n3x h ILE 167 Ca 0.29 -1.42 0.08 0.00 1.00 0.00 0.00 64.86 64.81 3n3x h ILE 167 Cb 0.24 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 3n3x h ILE 167 CO -0.21 0.47 -0.12 -0.08 0.00 0.00 0.00 178.15 178.21 3n3x h GLU 168 N 0.65 -0.03 -0.80 2.37 4.81 -1.07 -1.04 114.58 119.46 3n3x h GLU 168 Ca 0.07 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3n3x h GLU 168 Cb 0.84 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 3n3x h GLU 168 CO 0.07 -0.02 0.53 1.96 -0.73 0.00 0.00 179.01 180.82 3n3x h GLN 169 N -0.03 1.05 -0.65 1.92 4.20 -0.88 -0.91 115.11 119.82 3n3x h GLN 169 Ca 0.19 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3n3x h GLN 169 Cb 0.32 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3n3x h GLN 169 CO -0.41 0.70 0.15 1.96 -0.67 0.00 0.00 178.83 180.55 3n3x h GLN 170 N 1.08 1.05 -0.38 1.46 1.08 -0.42 -1.57 115.11 117.42 3n3x h GLN 170 Ca 0.30 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 57.11 3n3x h GLN 170 Cb -0.12 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 3n3x h GLN 170 CO -0.07 0.95 -0.28 0.82 -0.95 0.00 0.00 178.83 179.30 3n3x h ILE 171 N 0.97 1.28 -0.81 2.54 1.08 -0.80 -2.84 117.51 118.93 3n3x h ILE 171 Ca 0.20 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.28 3n3x h ILE 171 Cb 0.38 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 3n3x h ILE 171 CO 0.00 0.47 0.53 1.56 -0.69 0.00 0.00 178.15 180.03 3n3x h GLN 172 N 0.68 1.01 0.00 2.37 4.20 -0.80 0.63 115.11 123.19 3n3x h GLN 172 Ca 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3n3x h GLN 172 Cb 0.81 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3n3x h GLN 172 CO 0.07 0.67 -0.10 0.93 -0.67 0.00 0.00 178.83 179.72 3n3x h GLU 173 N 1.04 0.00 -0.85 1.46 5.08 -1.11 -2.76 114.58 117.44 3n3x h GLU 173 Ca 0.31 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.18 3n3x h GLU 173 Cb -0.02 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.96 3n3x h GLU 173 CO -0.08 0.10 0.47 0.54 -1.00 0.00 0.00 179.01 179.04 3n3x n ARG 174 N -3.41 2.35 0.11 2.33 1.74 0.19 -4.65 116.66 115.31 3n3x n ARG 174 Ca -0.01 -3.19 0.01 0.00 -0.77 0.00 0.00 57.85 53.89 3n3x n ARG 174 Cb 0.27 -2.14 0.34 0.00 -1.02 0.00 0.00 32.46 29.91 3n3x n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n3x h ALA 175 N 1.31 1.39 0.00 7.54 0.00 -1.24 -1.66 119.26 126.59 3n3x h ALA 175 Ca 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3n3x h ALA 175 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3n3x h ALA 175 CO 1.05 0.42 0.00 0.66 0.00 0.00 0.00 179.25 181.39 3n3x n TYR 176 N -4.20 0.00 -3.68 0.00 4.01 -1.26 -4.24 117.16 107.79 3n3x n TYR 176 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 3n3x n TYR 176 Cb 0.33 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.22 3n3x n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3n3x s ARG 177 N -0.07 0.13 0.50 -0.72 3.52 -1.25 -4.95 118.95 116.11 3n3x s ARG 177 Ca 0.00 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.05 3n3x s ARG 177 Cb 0.00 -0.11 -0.08 0.00 -1.56 0.00 0.00 34.95 33.21 3n3x s ARG 177 CO 0.00 -0.26 1.08 -0.51 -0.81 0.00 0.00 175.30 174.80 3n3x s ASP 178 N 2.12 6.13 -0.09 -2.12 1.01 -1.26 -4.39 116.67 118.06 3n3x s ASP 178 Ca -0.01 2.04 -0.16 0.00 0.71 0.00 0.00 52.55 55.13 3n3x s ASP 178 Cb -0.12 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.28 3n3x s ASP 178 CO -0.08 -0.93 0.40 -0.70 0.21 0.00 0.00 175.17 174.08 3n3x s GLU 179 N -3.19 0.62 0.54 8.23 2.12 -0.63 -4.87 118.70 121.51 3n3x s GLU 179 Ca 0.69 0.24 -0.20 0.00 0.36 0.00 0.00 54.97 56.06 3n3x s GLU 179 Cb -0.20 0.29 -0.07 0.00 0.26 0.00 0.00 34.13 34.41 3n3x s GLU 179 CO 0.23 -0.14 0.95 1.33 -0.54 0.00 0.00 175.26 177.10 3n3x n VAL 180 N 2.03 3.15 -1.88 3.70 0.24 -1.26 -1.75 118.33 122.56 3n3x n VAL 180 Ca -0.17 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.24 3n3x n VAL 180 Cb 0.57 -1.13 0.02 0.00 -1.47 0.00 0.00 33.84 31.82 3n3x n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3n3x s PRO 181 N -2.46 3.55 0.79 7.34 0.04 -1.26 -4.84 135.00 138.16 3n3x s PRO 181 Ca 0.71 2.26 -0.13 0.00 0.04 0.00 0.00 61.00 63.87 3n3x s PRO 181 Cb -0.46 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 31.64 3n3x s PRO 181 CO 0.51 -0.87 1.18 -1.54 0.04 0.00 0.00 177.00 176.32 3n3x s SER 182 N -0.77 3.81 0.39 6.66 1.04 -1.26 -4.84 113.70 118.73 3n3x s SER 182 Ca 0.64 2.26 0.09 0.00 0.48 0.00 0.00 55.95 59.42 3n3x s SER 182 Cb -0.40 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.00 3n3x s SER 182 CO 0.50 -2.52 1.98 0.28 0.98 0.00 0.00 173.24 174.47 3n3x h SER 183 N -0.88 0.53 -0.61 7.02 0.02 -1.93 -1.32 113.55 116.38 3n3x h SER 183 Ca -0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 3n3x h SER 183 Cb 1.28 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 3n3x h SER 183 CO 0.47 0.35 0.36 0.00 -1.14 0.00 0.00 176.83 176.86 3n3x h ALA 184 N 1.66 0.78 -0.01 3.77 0.00 -1.77 -0.86 119.26 122.82 3n3x h ALA 184 Ca 0.27 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3n3x h ALA 184 Cb 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3n3x h ALA 184 CO -0.08 0.27 -0.12 1.15 0.00 0.00 0.00 179.25 180.47 3n3x h THR 185 N 0.82 0.70 -0.79 0.00 2.02 -1.58 -0.27 112.91 113.82 3n3x h THR 185 Ca 0.22 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.43 3n3x h THR 185 Cb 0.00 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 3n3x h THR 185 CO -0.04 0.00 0.50 0.40 0.37 0.00 0.00 175.52 176.75 3n3x h ILE 186 N -0.19 1.10 0.03 3.11 1.08 -1.25 -1.36 117.51 120.03 3n3x h ILE 186 Ca 0.05 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3n3x h ILE 186 Cb 0.25 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3n3x h ILE 186 CO -0.13 0.17 -0.06 -1.28 -0.69 0.00 0.00 178.15 176.16 3n3x h SER 187 N 0.96 -0.18 -0.33 1.72 0.87 -0.62 -1.76 113.55 114.21 3n3x h SER 187 Ca 0.32 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3n3x h SER 187 Cb 0.04 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3n3x h SER 187 CO -0.12 -0.10 0.21 -0.07 -0.53 0.00 0.00 176.83 176.21 3n3x h LEU 188 N -0.13 0.39 -0.69 2.23 3.38 -0.79 -1.68 115.31 118.02 3n3x h LEU 188 Ca 0.02 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3n3x h LEU 188 Cb 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3n3x h LEU 188 CO -0.05 0.31 0.32 -0.33 0.09 0.00 0.00 178.44 178.78 3n3x h GLU 189 N 0.43 0.53 0.00 1.13 5.08 -1.07 -1.63 114.58 119.05 3n3x h GLU 189 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3n3x h GLU 189 Cb -0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3n3x h GLU 189 CO -0.02 0.35 0.00 -0.91 -1.00 0.00 0.00 179.01 177.43 3n3x h ASN 190 N 0.54 0.00 -0.02 1.42 2.35 -0.86 -3.27 115.58 115.74 3n3x h ASN 190 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3n3x h ASN 190 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3n3x h ASN 190 CO -0.28 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.30 3n3x n SER 191 N -3.08 2.31 -0.10 5.81 7.64 -0.65 -4.69 113.62 120.86 3n3x n SER 191 Ca 0.01 -1.65 -0.07 0.00 1.01 0.00 0.00 58.87 58.17 3n3x n SER 191 Cb 0.33 -0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3n3x n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3n3x h TRP 192 N 3.05 0.27 -0.36 1.43 7.01 -1.52 0.26 115.95 126.09 3n3x h TRP 192 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3n3x h TRP 192 Cb 0.65 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3n3x h TRP 192 CO 0.00 0.13 0.14 1.03 -2.79 0.00 0.00 178.44 176.96 3n3x h SER 193 N 0.31 0.49 -0.10 2.65 0.87 -1.87 -0.11 113.55 115.80 3n3x h SER 193 Ca 0.15 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3n3x h SER 193 Cb 0.09 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3n3x h SER 193 CO -0.12 0.53 -0.06 1.23 -0.53 0.00 0.00 176.83 177.88 3n3x h GLY 194 N 0.43 0.03 0.98 5.77 0.00 -1.74 -1.33 103.07 107.22 3n3x h GLY 194 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3n3x h GLY 194 CO -0.01 -0.07 0.29 1.41 0.00 0.00 0.00 176.54 178.16 3n3x h LEU 195 N -0.06 0.65 -0.44 3.11 3.38 -0.40 -1.38 115.31 120.16 3n3x h LEU 195 Ca 0.06 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3n3x h LEU 195 Cb 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3n3x h LEU 195 CO -0.13 0.55 0.21 0.28 0.09 0.00 0.00 178.44 179.43 3n3x h SER 196 N 0.69 0.29 0.21 -0.43 0.02 -0.84 -0.89 113.55 112.61 3n3x h SER 196 Ca 0.18 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3n3x h SER 196 Cb 0.04 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3n3x h SER 196 CO -0.03 0.21 -0.11 0.50 -1.14 0.00 0.00 176.83 176.26 3n3x h LYS 197 N 0.42 -0.29 -0.69 3.45 3.64 -0.96 -2.50 116.57 119.65 3n3x h LYS 197 Ca 0.20 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3n3x h LYS 197 Cb 0.12 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3n3x h LYS 197 CO -0.15 -0.19 0.16 1.96 -2.27 0.00 0.00 179.45 178.95 3n3x h GLN 198 N -0.30 1.12 -0.86 1.90 1.08 -1.04 0.25 115.11 117.25 3n3x h GLN 198 Ca -0.03 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 56.91 3n3x h GLN 198 Cb 0.23 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3n3x h GLN 198 CO 0.04 1.00 0.57 0.82 -0.95 0.00 0.00 178.83 180.31 3n3x h ILE 199 N 1.05 1.21 -0.43 2.54 2.04 -1.16 0.45 117.51 123.22 3n3x h ILE 199 Ca 0.22 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 3n3x h ILE 199 Cb 0.39 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3n3x h ILE 199 CO 0.01 0.21 -0.24 1.56 0.00 0.00 0.00 178.15 179.68 3n3x h GLN 200 N 1.16 0.92 0.00 2.37 4.20 -0.99 -3.01 115.11 119.76 3n3x h GLN 200 Ca 0.32 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3n3x h GLN 200 Cb -0.12 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3n3x h GLN 200 CO -0.07 1.08 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.93 3n3x h LEU 201 N 0.75 0.00 -1.66 1.46 3.38 -0.61 -2.87 115.31 115.76 3n3x h LEU 201 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3n3x h LEU 201 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3n3x h LEU 201 CO 0.07 0.16 -0.16 0.00 0.09 0.00 0.00 178.44 178.60 3n3x h ALA 202 N 1.84 1.19 -0.93 1.53 0.00 -0.77 -3.26 119.26 118.86 3n3x h ALA 202 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.93 3n3x h ALA 202 Cb 0.51 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3n3x h ALA 202 CO 0.02 0.20 0.60 1.96 0.00 0.00 0.00 179.25 182.03 3n3x h GLN 203 N 0.00 0.65 -0.30 0.00 4.20 -1.57 0.66 115.11 118.75 3n3x h GLN 203 Ca -0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3n3x h GLN 203 Cb 0.47 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3n3x h GLN 203 CO 0.02 0.43 0.01 0.41 -0.67 0.00 0.00 178.83 179.02 3n3x n GLY 204 N -1.42 4.15 1.10 3.46 0.00 -1.23 -4.47 105.19 106.77 3n3x n GLY 204 Ca 0.19 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.19 3n3x n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3n3x n ASN 205 N -0.59 1.19 -2.61 1.61 4.05 -0.50 -4.98 115.26 113.43 3n3x n ASN 205 Ca 0.24 -2.62 -0.20 0.00 0.45 0.00 0.00 54.58 52.45 3n3x n ASN 205 Cb 0.94 -0.37 0.02 0.00 1.23 0.00 0.00 39.78 41.60 3n3x n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3n3x n ASN 206 N -0.10 -5.78 0.00 1.20 5.03 -1.12 -1.69 115.26 112.80 3n3x n ASN 206 Ca 0.10 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.38 3n3x n ASN 206 Cb 0.96 -4.68 0.00 0.00 -1.02 0.00 0.00 39.78 35.03 3n3x n ASN 206 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3n3x n GLY 207 N -1.31 0.67 3.74 7.41 0.00 0.11 -4.98 105.19 110.83 3n3x n GLY 207 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3n3x n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n3x s VAL 208 N -2.77 5.21 0.16 1.61 1.01 -0.68 -0.91 120.40 124.03 3n3x s VAL 208 Ca 0.00 0.79 -0.32 0.00 0.00 0.00 0.00 61.98 62.45 3n3x s VAL 208 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3n3x s VAL 208 CO 0.00 0.39 1.59 -0.36 0.00 0.00 0.00 175.10 176.71 3n3x s PHE 209 N 0.31 3.01 0.28 5.22 0.40 0.41 -4.23 117.98 123.38 3n3x s PHE 209 Ca 0.22 0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 57.10 3n3x s PHE 209 Cb -0.15 -3.95 0.37 0.00 0.51 0.00 0.00 43.02 39.81 3n3x s PHE 209 CO 0.08 -3.52 1.94 0.00 0.70 0.00 0.00 175.22 174.43 3n3x h ARG 210 N 6.91 1.18 -4.14 0.44 2.47 -1.88 -3.40 114.38 115.96 3n3x h ARG 210 Ca -0.43 -0.07 -0.49 0.00 -1.26 0.00 0.00 59.98 57.73 3n3x h ARG 210 Cb 1.20 -0.27 -0.36 0.00 -1.65 0.00 0.00 29.97 28.90 3n3x h ARG 210 CO 0.92 0.78 -0.79 0.99 0.56 0.00 0.00 179.97 182.43 3n3x s THR 211 N -6.01 0.83 0.42 2.04 2.01 -1.26 -5.14 115.64 108.53 3n3x s THR 211 Ca -0.12 -0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 3n3x s THR 211 Cb 0.18 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 3n3x s THR 211 CO 0.81 0.32 1.35 -2.84 -0.69 0.00 0.00 174.62 173.57 3n3x s PRO 212 N 1.46 3.90 -0.23 4.92 0.02 -1.26 -4.95 135.00 138.85 3n3x s PRO 212 Ca -0.01 2.26 -0.10 0.00 0.02 0.00 0.00 61.00 63.17 3n3x s PRO 212 Cb -0.13 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 3n3x s PRO 212 CO -0.04 -0.59 0.14 0.99 -0.33 0.00 0.00 177.00 177.17 3n3x s THR 213 N -1.23 5.20 -0.22 0.99 2.01 -0.05 -4.90 115.64 117.45 3n3x s THR 213 Ca 0.58 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 3n3x s THR 213 Cb -0.40 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 3n3x s THR 213 CO 0.52 0.36 0.69 -0.69 -0.69 0.00 0.00 174.62 174.81 3n3x s VAL 214 N 1.00 4.96 0.21 3.82 1.01 -1.26 -0.00 120.40 130.13 3n3x s VAL 214 Ca 0.07 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.41 3n3x s VAL 214 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3n3x s VAL 214 CO 0.04 0.04 -0.13 -0.76 0.00 0.00 0.00 175.10 174.29 3n3x s LEU 215 N 2.30 2.53 -0.17 3.92 1.43 -0.32 -5.00 118.68 123.37 3n3x s LEU 215 Ca 0.30 -1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.28 3n3x s LEU 215 Cb -0.16 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3n3x s LEU 215 CO 0.09 -0.21 0.07 -0.69 0.23 0.00 0.00 176.35 175.84 3n3x s VAL 216 N -3.01 4.86 0.80 -1.59 1.01 -1.26 -0.09 120.40 121.12 3n3x s VAL 216 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3n3x s VAL 216 Cb 0.00 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.36 3n3x s VAL 216 CO 0.07 0.48 1.10 1.51 0.00 0.00 0.00 175.10 178.26 3n3x s ASP 217 N 0.21 3.89 0.32 3.32 1.47 0.23 -4.25 116.67 121.85 3n3x s ASP 217 Ca 0.05 -0.34 0.01 0.00 1.18 0.00 0.00 52.55 53.45 3n3x s ASP 217 Cb -0.12 0.13 0.56 0.00 -0.34 0.00 0.00 42.92 43.15 3n3x s ASP 217 CO 0.00 -2.19 1.94 0.77 0.68 0.00 0.00 175.17 176.38 3n3x h SER 218 N -0.86 0.85 0.22 2.11 4.64 -1.97 0.19 113.55 118.73 3n3x h SER 218 Ca -0.37 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3n3x h SER 218 Cb 1.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3n3x h SER 218 CO 0.36 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 177.18 3n3x n LYS 219 N -4.46 0.59 -0.56 4.77 4.76 -1.26 -4.86 118.16 117.13 3n3x n LYS 219 Ca 0.12 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3n3x n LYS 219 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3n3x n LYS 219 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3n3x n GLY 220 N 0.71 0.72 3.87 0.72 0.00 0.06 -5.06 105.19 106.19 3n3x n GLY 220 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3n3x n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n3x s ASN 221 N -2.02 6.66 -0.88 1.61 0.02 -1.25 -4.72 114.94 114.35 3n3x s ASN 221 Ca 0.00 0.83 -0.20 0.00 -1.02 0.00 0.00 52.86 52.46 3n3x s ASN 221 Cb 0.00 -2.19 0.10 0.00 0.02 0.00 0.00 41.25 39.18 3n3x s ASN 221 CO 0.00 0.15 1.14 -0.60 0.02 0.00 0.00 177.10 177.81 3n3x s ARG 222 N -1.97 3.48 0.68 -0.60 3.52 -1.26 0.75 118.95 123.56 3n3x s ARG 222 Ca 0.34 -1.44 -0.09 0.00 -0.13 0.00 0.00 55.73 54.41 3n3x s ARG 222 Cb -0.14 -4.82 0.02 0.00 -1.56 0.00 0.00 34.95 28.46 3n3x s ARG 222 CO 0.19 -1.85 1.04 0.14 -0.81 0.00 0.00 175.30 174.00 3n3x s VAL 223 N 3.37 3.27 -0.10 7.11 -7.23 0.87 -4.90 120.40 122.80 3n3x s VAL 223 Ca 0.32 0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 3n3x s VAL 223 Cb -0.07 -3.38 0.01 0.00 0.56 0.00 0.00 36.38 33.51 3n3x s VAL 223 CO -0.05 -0.45 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.55 3n3x s GLN 224 N -5.26 2.18 -0.29 4.82 0.74 -1.26 -1.17 119.66 119.42 3n3x s GLN 224 Ca 0.57 -0.56 -0.11 0.00 0.05 0.00 0.00 55.36 55.32 3n3x s GLN 224 Cb -0.11 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.15 3n3x s GLN 224 CO 0.49 -0.01 0.18 0.42 -0.55 0.00 0.00 175.29 175.82 3n3x s ILE 225 N 0.83 5.15 -0.00 -2.34 -1.09 0.99 -4.94 121.20 119.80 3n3x s ILE 225 Ca -0.10 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 3n3x s ILE 225 Cb -0.15 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 3n3x s ILE 225 CO 0.01 0.20 0.01 0.35 -1.23 0.00 0.00 174.94 174.28 3n3x n THR 226 N 5.05 0.00 -3.95 2.92 -2.24 -1.26 -0.87 114.28 113.93 3n3x n THR 226 Ca -0.14 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3n3x n THR 226 Cb 0.51 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3n3x n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n3x s ASN 227 N -1.82 -0.14 0.00 3.42 2.20 -1.26 -0.44 114.94 116.90 3n3x s ASN 227 Ca -0.00 -0.82 0.18 0.00 -0.94 0.00 0.00 52.86 51.28 3n3x s ASN 227 Cb 0.00 0.61 0.96 0.00 -2.00 0.00 0.00 41.25 40.82 3n3x s ASN 227 CO 0.01 -1.17 1.54 1.33 -2.94 0.00 0.00 177.10 175.88 3n3x n VAL 228 N -0.39 0.37 1.23 3.54 0.24 -0.09 -2.45 118.33 120.78 3n3x n VAL 228 Ca -0.03 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 3n3x n VAL 228 Cb 0.61 -0.79 0.67 0.00 -1.47 0.00 0.00 33.84 32.86 3n3x n VAL 228 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3n3x n THR 229 N -1.23 0.00 -1.87 3.34 -2.24 -1.26 -4.29 114.28 106.73 3n3x n THR 229 Ca 0.10 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 3n3x n THR 229 Cb 0.13 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3n3x n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n3x s SER 230 N -2.76 5.85 0.52 3.42 0.15 -1.02 -4.78 113.70 115.07 3n3x s SER 230 Ca 0.22 2.81 0.21 0.00 0.70 0.00 0.00 55.95 59.89 3n3x s SER 230 Cb 0.20 -2.64 1.33 0.00 -1.71 0.00 0.00 66.02 63.19 3n3x s SER 230 CO 0.50 -1.18 2.04 0.78 1.20 0.00 0.00 173.24 176.59 3n3x h ASN 231 N 2.21 0.03 -0.50 5.45 2.35 -1.91 -0.37 115.58 122.83 3n3x h ASN 231 Ca -0.51 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.33 3n3x h ASN 231 Cb 1.27 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.56 3n3x h ASN 231 CO 0.61 0.02 0.09 0.58 -1.65 0.00 0.00 177.43 177.08 3n3x h VAL 232 N 0.03 0.72 0.22 2.81 2.07 -1.95 -0.65 116.25 119.49 3n3x h VAL 232 Ca 0.17 -0.08 -0.32 0.00 0.82 0.00 0.00 66.70 67.29 3n3x h VAL 232 Cb 0.66 0.47 0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3n3x h VAL 232 CO -0.01 0.04 -1.50 0.58 0.02 0.00 0.00 177.57 176.71 3n3x h VAL 233 N 0.23 1.18 0.00 2.57 2.07 -1.49 0.39 116.25 121.20 3n3x h VAL 233 Ca 0.25 -2.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.08 3n3x h VAL 233 Cb 0.34 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3n3x h VAL 233 CO -0.33 0.81 -0.43 0.71 0.02 0.00 0.00 177.57 178.35 3n3x h THR 234 N 0.05 0.79 0.00 2.57 1.35 -1.01 -3.42 112.91 113.25 3n3x h THR 234 Ca -0.28 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3n3x h THR 234 Cb 2.07 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.74 3n3x h THR 234 CO 0.22 0.42 -0.52 -1.20 -0.25 0.00 0.00 175.52 174.19 3n3x n SER 235 N -3.29 2.20 0.00 5.36 7.64 -0.28 -5.01 113.62 120.24 3n3x n SER 235 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3n3x n SER 235 Cb 0.65 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 3n3x n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3n3x n ASN 236 N -1.83 0.00 -4.73 6.43 2.85 -0.96 -4.73 115.26 112.29 3n3x n ASN 236 Ca 0.00 0.38 -0.42 0.00 -0.11 0.00 0.00 54.58 54.43 3n3x n ASN 236 Cb 0.26 -0.45 -0.01 0.00 1.24 0.00 0.00 39.78 40.81 3n3x n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3n3x n ILE 237 N -1.94 1.25 0.06 -1.44 3.06 0.09 -1.04 119.36 119.40 3n3x n ILE 237 Ca 0.00 -0.31 0.01 0.00 -2.50 0.00 0.00 62.75 59.95 3n3x n ILE 237 Cb 0.00 -1.80 -0.02 0.00 0.54 0.00 0.00 39.64 38.37 3n3x n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3n3x n GLN 238 N 1.70 3.46 -3.79 9.51 1.13 0.71 -4.89 117.38 125.21 3n3x n GLN 238 Ca 0.08 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 3n3x n GLN 238 Cb 0.36 -0.81 -0.11 0.00 0.11 0.00 0.00 30.24 29.79 3n3x n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3n3x s LEU 239 N -2.59 1.06 -0.17 1.08 1.43 -1.25 -4.18 118.68 114.06 3n3x s LEU 239 Ca 0.00 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3n3x s LEU 239 Cb 0.02 0.94 -0.01 0.00 0.03 0.00 0.00 46.19 47.17 3n3x s LEU 239 CO 0.10 -0.21 -0.11 -0.76 0.23 0.00 0.00 176.35 175.59 3n3x s LEU 240 N -0.43 2.67 0.03 1.79 1.43 -0.34 -4.95 118.68 118.88 3n3x s LEU 240 Ca -0.05 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 3n3x s LEU 240 Cb -0.04 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 3n3x s LEU 240 CO 0.01 0.07 1.55 -0.22 0.23 0.00 0.00 176.35 178.00 3n3x s LEU 241 N 0.90 4.34 0.27 1.79 2.96 -1.26 -1.02 118.68 126.65 3n3x s LEU 241 Ca -0.03 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 55.90 3n3x s LEU 241 Cb -0.15 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 3n3x s LEU 241 CO -0.00 -0.82 1.59 0.21 -1.32 0.00 0.00 176.35 176.01 3n3x s ASN 242 N 2.25 6.42 0.62 3.68 3.84 -1.26 -4.55 114.94 125.96 3n3x s ASN 242 Ca 0.70 2.88 0.35 0.00 0.21 0.00 0.00 52.86 57.00 3n3x s ASN 242 Cb -0.36 -2.63 2.00 0.00 -0.55 0.00 0.00 41.25 39.71 3n3x s ASN 242 CO 0.30 -0.89 2.24 0.71 -2.79 0.00 0.00 177.10 176.67 3n3x h THR 243 N 3.52 0.29 0.00 -5.21 1.35 -1.93 0.10 112.91 111.03 3n3x h THR 243 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 3n3x h THR 243 Cb 1.22 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3n3x h THR 243 CO 0.82 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 176.16 3n3x h LYS 244 N 0.00 0.00 -0.53 4.72 1.57 -1.96 -2.16 116.57 118.21 3n3x h LYS 244 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3n3x h LYS 244 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3n3x h LYS 244 CO -0.00 0.05 0.01 0.09 -0.57 0.00 0.00 179.45 179.03 3n3x n ASN 245 N -4.07 5.41 0.00 0.86 5.03 0.34 -5.13 115.26 117.71 3n3x n ASN 245 Ca -0.03 -2.97 0.00 0.00 0.87 0.00 0.00 54.58 52.45 3n3x n ASN 245 Cb 0.13 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.22 3n3x n ASN 245 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05