#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1n s VAL 2 N 0.00 1.73 0.12 2.53 -7.23 -0.94 -5.03 120.40 111.58 3n1n s VAL 2 Ca 0.00 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 3n1n s VAL 2 Cb 0.00 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3n1n s VAL 2 CO 0.00 -0.08 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.16 3n1n s SER 3 N -1.99 1.59 -0.24 4.85 0.01 -1.26 -0.73 113.70 115.93 3n1n s SER 3 Ca 0.07 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 3n1n s SER 3 Cb -0.10 0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.21 3n1n s SER 3 CO 0.04 -0.29 0.57 0.12 0.41 0.00 0.00 173.24 174.10 3n1n s PHE 4 N -2.80 -0.89 -0.17 2.43 5.36 -0.83 -4.83 117.98 116.25 3n1n s PHE 4 Ca 0.10 1.80 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3n1n s PHE 4 Cb -0.01 0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 43.16 3n1n s PHE 4 CO 0.00 -0.46 -0.11 1.03 -1.46 0.00 0.00 175.22 174.22 3n1n s ARG 5 N 1.65 3.33 0.48 10.12 0.52 -1.26 -1.47 118.95 132.32 3n1n s ARG 5 Ca -0.09 -0.68 0.27 0.00 -0.52 0.00 0.00 55.73 54.71 3n1n s ARG 5 Cb -0.07 -2.76 0.98 0.00 0.52 0.00 0.00 34.95 33.62 3n1n s ARG 5 CO -0.17 0.01 1.84 -0.07 0.02 0.00 0.00 175.30 176.93 3n1n h LEU 6 N 7.37 0.00 -9.02 2.53 -0.00 -1.50 -3.36 115.31 111.32 3n1n h LEU 6 Ca -0.34 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.98 3n1n h LEU 6 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 3n1n h LEU 6 CO 0.58 0.11 1.09 -0.55 -0.00 0.00 0.00 178.44 179.68 3n1n s SER 7 N -6.00 6.46 0.00 -0.43 0.15 -1.26 -1.87 113.70 110.75 3n1n s SER 7 Ca 0.02 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.21 3n1n s SER 7 Cb 0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 3n1n s SER 7 CO 0.61 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.45 3n1n n GLY 8 N 4.56 0.77 3.75 9.45 0.00 -1.26 -5.01 105.19 117.45 3n1n n GLY 8 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3n1n n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1n s ALA 9 N -2.89 3.56 0.29 4.61 0.00 -0.78 -5.00 121.76 121.56 3n1n s ALA 9 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.28 3n1n s ALA 9 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3n1n s ALA 9 CO 0.00 -0.68 0.22 0.16 0.00 0.00 0.00 175.76 175.46 3n1n s ASP 10 N 0.05 1.28 0.47 0.00 1.47 -1.26 -5.03 116.67 113.64 3n1n s ASP 10 Ca 0.55 -1.63 0.23 0.00 1.18 0.00 0.00 52.55 52.88 3n1n s ASP 10 Cb -0.40 0.49 1.25 0.00 -0.34 0.00 0.00 42.92 43.91 3n1n s ASP 10 CO 0.46 -0.98 1.87 -0.65 0.68 0.00 0.00 175.17 176.56 3n1n h PRO 11 N 2.27 0.23 -0.01 2.11 0.11 -1.95 -2.04 132.00 132.70 3n1n h PRO 11 Ca -0.29 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3n1n h PRO 11 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3n1n h PRO 11 CO 0.43 0.15 -0.06 1.03 -0.21 0.00 0.00 178.00 179.34 3n1n h SER 12 N 0.23 0.08 0.62 -2.05 0.87 -1.97 -1.99 113.55 109.35 3n1n h SER 12 Ca 0.45 -0.65 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 3n1n h SER 12 Cb 1.38 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 3n1n h SER 12 CO -0.11 0.72 -0.32 0.77 -0.53 0.00 0.00 176.83 177.36 3n1n h SER 13 N -0.56 0.00 -0.32 6.23 4.64 -1.87 -0.27 113.55 121.41 3n1n h SER 13 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3n1n h SER 13 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3n1n h SER 13 CO 0.01 0.32 -0.17 0.22 -0.87 0.00 0.00 176.83 176.34 3n1n h TYR 14 N 0.00 0.78 -0.94 4.77 3.20 -1.43 -1.60 116.97 121.76 3n1n h TYR 14 Ca -0.00 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.69 3n1n h TYR 14 Cb 0.72 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 3n1n h TYR 14 CO 0.00 0.90 0.62 0.78 -1.64 0.00 0.00 178.16 178.82 3n1n h GLY 15 N 0.44 1.35 0.99 1.82 0.00 -0.55 -1.59 103.07 105.52 3n1n h GLY 15 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3n1n h GLY 15 CO 0.05 0.44 0.31 -0.33 0.00 0.00 0.00 176.54 177.01 3n1n h MET 16 N 1.23 0.83 -0.47 4.80 2.86 -0.77 -1.86 114.93 121.55 3n1n h MET 16 Ca 0.36 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3n1n h MET 16 Cb -0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 3n1n h MET 16 CO -0.10 0.65 0.29 0.35 1.06 0.00 0.00 176.91 179.16 3n1n h PHE 17 N 0.80 0.61 -0.38 -0.22 3.57 -0.59 0.15 116.94 120.88 3n1n h PHE 17 Ca 0.21 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3n1n h PHE 17 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3n1n h PHE 17 CO -0.01 0.41 -0.09 0.82 -2.23 0.00 0.00 178.31 177.21 3n1n h ILE 18 N 0.63 1.24 -0.34 1.41 1.08 -1.16 0.10 117.51 120.47 3n1n h ILE 18 Ca 0.17 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 3n1n h ILE 18 Cb -0.03 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 3n1n h ILE 18 CO -0.03 0.36 0.14 0.50 -0.69 0.00 0.00 178.15 178.42 3n1n h LYS 19 N 0.60 0.50 -0.95 2.37 3.64 -0.88 -0.93 116.57 120.93 3n1n h LYS 19 Ca 0.11 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3n1n h LYS 19 Cb 0.51 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 3n1n h LYS 19 CO 0.03 0.49 0.62 -0.44 -2.27 0.00 0.00 179.45 177.88 3n1n h ASP 20 N 0.40 1.06 -0.48 4.20 3.32 -0.47 -1.43 116.42 123.01 3n1n h ASP 20 Ca 0.11 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3n1n h ASP 20 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3n1n h ASP 20 CO -0.01 0.75 0.08 0.25 -1.72 0.00 0.00 179.24 178.59 3n1n h LEU 21 N 1.24 0.76 -0.39 1.55 5.85 -0.59 -2.10 115.31 121.64 3n1n h LEU 21 Ca 0.36 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3n1n h LEU 21 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3n1n h LEU 21 CO -0.10 0.83 0.10 0.03 -0.34 0.00 0.00 178.44 178.96 3n1n h ARG 22 N 0.67 0.62 0.00 1.25 3.08 -0.84 -2.69 114.38 116.47 3n1n h ARG 22 Ca 0.15 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3n1n h ARG 22 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3n1n h ARG 22 CO 0.01 0.64 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.62 3n1n h ASN 23 N 0.49 0.00 1.14 7.04 -0.26 -1.14 -2.37 115.58 120.48 3n1n h ASN 23 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3n1n h ASN 23 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3n1n h ASN 23 CO -0.00 0.03 -0.19 0.00 -1.06 0.00 0.00 177.43 176.20 3n1n n ALA 24 N -2.14 2.56 -2.68 -0.83 0.00 -0.80 -4.76 120.51 111.86 3n1n n ALA 24 Ca -0.02 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 3n1n n ALA 24 Cb 0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3n1n n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n1n s LEU 25 N -3.99 4.20 0.52 0.00 1.43 -0.89 -5.03 118.68 114.93 3n1n s LEU 25 Ca 0.10 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 3n1n s LEU 25 Cb 0.14 -3.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 3n1n s LEU 25 CO 0.62 -0.33 1.00 -2.16 0.23 0.00 0.00 176.35 175.71 3n1n s PRO 26 N 1.83 3.84 -0.16 1.29 0.04 -1.26 -5.04 135.00 135.54 3n1n s PRO 26 Ca 0.37 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 3n1n s PRO 26 Cb -0.17 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.32 3n1n s PRO 26 CO 0.14 -0.37 0.67 -3.38 0.04 0.00 0.00 177.00 174.10 3n1n s HIS 27 N -2.52 -0.69 -0.08 0.56 -3.43 -1.26 -4.15 115.29 103.72 3n1n s HIS 27 Ca 0.60 1.46 0.15 0.00 -0.80 0.00 0.00 55.06 56.48 3n1n s HIS 27 Cb -0.11 0.32 -0.22 0.00 -1.43 0.00 0.00 32.58 31.13 3n1n s HIS 27 CO 0.30 -0.47 0.22 -2.37 -2.00 0.00 0.00 174.74 170.42 3n1n n THR 28 N 1.86 0.48 -4.32 -5.38 5.66 -1.26 -5.03 114.28 106.28 3n1n n THR 28 Ca -0.16 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.17 3n1n n THR 28 Cb 0.56 -0.21 -0.10 0.00 -1.55 0.00 0.00 70.33 69.03 3n1n n THR 28 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3n1n s GLU 29 N -2.78 1.28 -0.04 1.09 2.12 -1.26 -5.08 118.70 114.02 3n1n s GLU 29 Ca -0.07 -1.61 0.03 0.00 0.36 0.00 0.00 54.97 53.68 3n1n s GLU 29 Cb 0.08 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.72 3n1n s GLU 29 CO 0.66 0.01 -0.11 0.15 -0.54 0.00 0.00 175.26 175.42 3n1n s LYS 30 N -3.78 1.35 -0.23 4.30 1.02 -1.26 -1.04 119.74 120.10 3n1n s LYS 30 Ca 0.24 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 3n1n s LYS 30 Cb 0.04 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.18 3n1n s LYS 30 CO 0.06 0.10 -0.10 0.08 -0.92 0.00 0.00 175.35 174.58 3n1n s VAL 31 N 0.35 2.69 -1.43 3.17 1.01 -0.76 -4.52 120.40 120.90 3n1n s VAL 31 Ca -0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 3n1n s VAL 31 Cb -0.12 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3n1n s VAL 31 CO 0.02 0.29 1.11 -1.22 0.00 0.00 0.00 175.10 175.30 3n1n n TYR 32 N 4.65 -2.66 -2.26 5.22 4.01 -1.26 -1.27 117.16 123.60 3n1n n TYR 32 Ca -0.18 0.97 -0.14 0.00 -0.16 0.00 0.00 57.90 58.40 3n1n n TYR 32 Cb 0.48 -4.61 -0.01 0.00 -0.31 0.00 0.00 39.34 34.89 3n1n n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1n n ASN 33 N -2.94 -4.30 -4.00 7.72 5.15 -1.26 -5.03 115.26 110.58 3n1n n ASN 33 Ca 0.02 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.73 3n1n n ASN 33 Cb 0.55 -3.47 -0.17 0.00 -0.53 0.00 0.00 39.78 36.16 3n1n n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n1n s ILE 34 N -2.70 1.19 0.18 -1.44 1.01 -0.40 -5.09 121.20 113.96 3n1n s ILE 34 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 60.65 59.84 3n1n s ILE 34 Cb 0.00 -1.12 -0.15 0.00 0.01 0.00 0.00 42.46 41.20 3n1n s ILE 34 CO 0.00 0.38 1.32 -2.65 0.00 0.00 0.00 174.94 173.99 3n1n n PRO 35 N 4.15 1.55 -3.63 2.79 -0.02 -1.26 -1.84 135.00 136.75 3n1n n PRO 35 Ca -0.20 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 3n1n n PRO 35 Cb 0.51 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3n1n n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n1n s LEU 36 N 0.49 4.30 0.75 2.45 2.96 -0.20 -1.74 118.68 127.69 3n1n s LEU 36 Ca 0.74 -0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 53.86 3n1n s LEU 36 Cb -0.79 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 43.94 3n1n s LEU 36 CO 0.49 -0.25 1.23 -0.76 -1.32 0.00 0.00 176.35 175.73 3n1n s LEU 37 N 1.60 3.28 0.66 -0.68 1.02 -0.22 -4.30 118.68 120.05 3n1n s LEU 37 Ca 0.04 2.43 -0.15 0.00 0.02 0.00 0.00 54.13 56.47 3n1n s LEU 37 Cb -0.18 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.44 3n1n s LEU 37 CO 0.07 -2.43 1.12 -0.76 0.02 0.00 0.00 176.35 174.37 3n1n s LEU 38 N -5.28 3.40 0.07 1.79 1.43 -1.26 -4.14 118.68 114.69 3n1n s LEU 38 Ca 0.76 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 55.71 3n1n s LEU 38 Cb -0.31 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.25 3n1n s LEU 38 CO 0.47 -1.70 1.51 -0.65 0.23 0.00 0.00 176.35 176.21 3n1n h PRO 39 N 0.04 0.33 -2.74 1.29 0.11 -1.93 -3.44 132.00 125.66 3n1n h PRO 39 Ca -0.47 -0.10 0.09 0.00 0.11 0.00 0.00 66.00 65.63 3n1n h PRO 39 Cb 1.25 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3n1n h PRO 39 CO 0.54 0.53 0.33 -1.54 -0.21 0.00 0.00 178.00 177.64 3n1n s SER 40 N -5.82 -0.30 -0.04 -2.05 1.04 -1.26 -4.89 113.70 100.38 3n1n s SER 40 Ca -0.14 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 3n1n s SER 40 Cb 0.06 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.80 3n1n s SER 40 CO 0.73 -1.08 0.11 -0.69 0.98 0.00 0.00 173.24 173.29 3n1n s VAL 41 N -3.62 0.01 -0.03 5.02 1.01 -1.26 -5.09 120.40 116.44 3n1n s VAL 41 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3n1n s VAL 41 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3n1n s VAL 41 CO 0.00 -0.04 0.13 -0.44 0.00 0.00 0.00 175.10 174.76 3n1n s SER 42 N -0.09 6.08 0.20 3.32 0.01 -1.26 -4.62 113.70 117.34 3n1n s SER 42 Ca -0.01 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3n1n s SER 42 Cb -0.02 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.36 3n1n s SER 42 CO 0.00 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.56 3n1n n GLY 43 N 1.24 -0.95 0.13 3.44 0.00 -1.26 -3.80 105.19 103.99 3n1n n GLY 43 Ca -0.13 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.79 3n1n n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1n n ALA 44 N 2.23 1.48 0.67 4.61 0.00 -1.26 -2.51 120.51 125.73 3n1n n ALA 44 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3n1n n ALA 44 Cb 0.00 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 18.47 3n1n n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1n n GLY 45 N -0.39 -0.84 0.00 0.00 0.00 -1.25 -2.20 105.19 100.51 3n1n n GLY 45 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3n1n n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n1n n ARG 46 N -1.33 0.00 -5.19 1.61 0.63 -1.04 -4.83 116.66 106.50 3n1n n ARG 46 Ca 0.06 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.68 3n1n n ARG 46 Cb 0.13 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.37 3n1n n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3n1n s TYR 47 N -3.00 2.43 -0.12 -0.14 2.02 -0.93 -1.13 117.35 116.47 3n1n s TYR 47 Ca 0.14 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 3n1n s TYR 47 Cb 0.19 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3n1n s TYR 47 CO 0.55 -0.33 0.05 -1.17 -1.57 0.00 0.00 175.55 173.09 3n1n s LEU 48 N 0.15 3.84 -0.22 -1.29 2.96 -0.20 -4.92 118.68 119.01 3n1n s LEU 48 Ca -0.12 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 3n1n s LEU 48 Cb -0.16 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3n1n s LEU 48 CO 0.06 0.32 0.10 -0.76 -1.32 0.00 0.00 176.35 174.76 3n1n s LEU 49 N -0.54 3.86 -0.14 -0.68 1.02 -1.26 -0.80 118.68 120.14 3n1n s LEU 49 Ca 0.10 0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.26 3n1n s LEU 49 Cb -0.12 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3n1n s LEU 49 CO 0.02 0.09 -0.04 -0.04 0.02 0.00 0.00 176.35 176.40 3n1n s MET 50 N 0.89 3.57 -0.26 1.70 -1.94 0.73 -2.21 119.30 121.78 3n1n s MET 50 Ca 0.05 -0.52 -0.07 0.00 -1.71 0.00 0.00 55.69 53.44 3n1n s MET 50 Cb -0.13 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 3n1n s MET 50 CO 0.03 0.29 0.06 -1.01 -0.01 0.00 0.00 175.02 174.39 3n1n s HIS 51 N 0.22 3.09 -0.09 -0.03 0.09 0.09 -0.26 115.29 118.39 3n1n s HIS 51 Ca -0.03 -0.60 0.03 0.00 -0.00 0.00 0.00 55.06 54.46 3n1n s HIS 51 Cb -0.14 -2.23 -0.02 0.00 -0.00 0.00 0.00 32.58 30.19 3n1n s HIS 51 CO 0.03 -0.43 -0.17 -0.51 -0.00 0.00 0.00 174.74 173.66 3n1n s LEU 52 N 1.58 2.52 -0.14 0.89 1.43 -0.84 -1.97 118.68 122.15 3n1n s LEU 52 Ca 0.05 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3n1n s LEU 52 Cb -0.16 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 3n1n s LEU 52 CO 0.03 0.23 -0.15 -0.36 0.23 0.00 0.00 176.35 176.34 3n1n s PHE 53 N -0.07 2.78 0.98 0.29 0.40 -0.54 -2.30 117.98 119.52 3n1n s PHE 53 Ca -0.04 -0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 55.28 3n1n s PHE 53 Cb -0.14 -1.86 0.19 0.00 0.51 0.00 0.00 43.02 41.72 3n1n s PHE 53 CO 0.04 -0.35 1.24 0.54 0.70 0.00 0.00 175.22 177.38 3n1n s ASN 54 N 0.59 2.93 0.32 1.36 2.20 -0.28 -1.52 114.94 120.55 3n1n s ASN 54 Ca -0.09 0.51 0.10 0.00 -0.94 0.00 0.00 52.86 52.45 3n1n s ASN 54 Cb -0.16 -0.73 0.94 0.00 -2.00 0.00 0.00 41.25 39.30 3n1n s ASN 54 CO 0.03 -2.87 1.69 0.22 -2.94 0.00 0.00 177.10 173.24 3n1n h TYR 55 N -1.73 0.91 -0.06 1.54 3.20 -1.88 0.61 116.97 119.56 3n1n h TYR 55 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3n1n h TYR 55 Cb 1.27 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3n1n h TYR 55 CO -0.94 -0.06 0.00 -0.25 -1.64 0.00 0.00 178.16 175.28 3n1n n ASP 56 N -4.99 0.75 0.00 -2.11 8.00 -1.26 -4.53 116.55 112.41 3n1n n ASP 56 Ca 0.28 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3n1n n ASP 56 Cb 0.82 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 3n1n n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n1n n GLY 57 N 0.96 0.75 3.82 0.44 0.00 0.21 -5.06 105.19 106.31 3n1n n GLY 57 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3n1n n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n1n s ASN 58 N -2.89 5.96 0.09 1.61 0.01 -1.26 -4.77 114.94 113.69 3n1n s ASN 58 Ca 0.00 1.70 0.01 0.00 -0.71 0.00 0.00 52.86 53.87 3n1n s ASN 58 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3n1n s ASN 58 CO 0.00 -1.05 -0.06 0.28 -1.51 0.00 0.00 177.10 174.76 3n1n s THR 59 N -2.63 0.62 0.05 1.60 -1.32 -1.26 -1.12 115.64 111.58 3n1n s THR 59 Ca 0.61 -1.81 0.01 0.00 -1.21 0.00 0.00 61.69 59.29 3n1n s THR 59 Cb -0.14 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 3n1n s THR 59 CO 0.39 -0.83 -0.06 0.27 -2.21 0.00 0.00 174.62 172.18 3n1n s ILE 60 N -3.38 0.45 -0.13 5.08 -4.36 -0.97 -4.57 121.20 113.32 3n1n s ILE 60 Ca 0.09 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.20 3n1n s ILE 60 Cb 0.04 -0.85 0.00 0.00 1.25 0.00 0.00 42.46 42.90 3n1n s ILE 60 CO -0.05 -0.57 -0.20 -0.89 0.24 0.00 0.00 174.94 173.47 3n1n s THR 61 N -2.13 2.30 -0.11 8.37 2.01 -0.64 -1.99 115.64 123.45 3n1n s THR 61 Ca -0.05 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 3n1n s THR 61 Cb -0.05 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3n1n s THR 61 CO -0.02 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 3n1n s VAL 62 N 0.64 3.90 -0.20 3.82 1.01 0.63 0.12 120.40 130.33 3n1n s VAL 62 Ca -0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3n1n s VAL 62 Cb -0.16 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3n1n s VAL 62 CO 0.02 0.55 0.11 0.00 0.00 0.00 0.00 175.10 175.79 3n1n s ALA 63 N -0.29 3.60 -0.06 5.51 0.00 -0.24 -0.19 121.76 130.09 3n1n s ALA 63 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3n1n s ALA 63 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 3n1n s ALA 63 CO 0.02 0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.78 3n1n s VAL 64 N 0.41 1.85 -0.25 0.00 1.01 0.02 -1.03 120.40 122.41 3n1n s VAL 64 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3n1n s VAL 64 Cb -0.12 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3n1n s VAL 64 CO -0.01 0.52 1.10 -0.62 0.00 0.00 0.00 175.10 176.09 3n1n s ASP 65 N -0.07 7.00 0.00 3.32 -1.08 -0.19 -1.03 116.67 124.62 3n1n s ASP 65 Ca -0.05 1.31 0.15 0.00 -0.52 0.00 0.00 52.55 53.44 3n1n s ASP 65 Cb -0.13 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.45 3n1n s ASP 65 CO 0.04 -0.77 1.44 1.33 0.52 0.00 0.00 175.17 177.72 3n1n n VAL 66 N 5.55 0.86 0.12 1.11 0.24 -0.29 -0.59 118.33 125.33 3n1n n VAL 66 Ca 0.12 0.21 0.07 0.00 -2.04 0.00 0.00 64.34 62.71 3n1n n VAL 66 Cb 0.46 -0.97 0.02 0.00 -1.47 0.00 0.00 33.84 31.89 3n1n n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3n1n h THR 67 N 0.00 0.27 0.00 3.34 1.35 -1.86 -3.41 112.91 112.59 3n1n h THR 67 Ca 0.00 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3n1n h THR 67 Cb 0.21 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3n1n h THR 67 CO 0.00 0.15 0.00 -0.46 -0.25 0.00 0.00 175.52 174.96 3n1n n ASN 68 N -2.92 0.00 -2.22 5.36 0.23 -1.13 -4.66 115.26 109.93 3n1n n ASN 68 Ca -0.01 -1.00 -0.21 0.00 -0.53 0.00 0.00 54.58 52.83 3n1n n ASN 68 Cb 0.64 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 3n1n n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3n1n n VAL 69 N 0.00 -0.77 -3.14 3.53 0.31 0.24 -4.98 118.33 113.52 3n1n n VAL 69 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3n1n n VAL 69 Cb 0.34 -2.77 -0.05 0.00 -0.91 0.00 0.00 33.84 30.45 3n1n n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3n1n s TYR 70 N -2.99 3.56 -0.02 3.52 2.02 -1.23 -4.79 117.35 117.43 3n1n s TYR 70 Ca 0.00 1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 57.53 3n1n s TYR 70 Cb 0.00 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3n1n s TYR 70 CO 0.00 0.12 1.18 0.42 -1.57 0.00 0.00 175.55 175.71 3n1n s ILE 71 N 0.70 4.25 -0.22 2.71 1.01 -1.26 -1.03 121.20 127.36 3n1n s ILE 71 Ca 0.33 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.67 3n1n s ILE 71 Cb -0.17 -4.02 -0.20 0.00 0.01 0.00 0.00 42.46 38.08 3n1n s ILE 71 CO 0.15 0.04 -0.07 0.23 0.00 0.00 0.00 174.94 175.30 3n1n n MET 72 N 4.75 0.73 -3.02 2.79 2.81 -0.20 -4.97 117.12 120.01 3n1n n MET 72 Ca 0.10 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3n1n n MET 72 Cb 0.47 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3n1n n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n1n n GLY 73 N 2.05 -1.15 3.38 3.03 0.00 -1.24 -2.61 105.19 108.64 3n1n n GLY 73 Ca -0.38 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3n1n n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n1n s TYR 74 N -2.23 0.19 -0.12 1.61 1.13 -0.34 -1.08 117.35 116.52 3n1n s TYR 74 Ca 0.00 -0.55 0.03 0.00 -1.41 0.00 0.00 57.07 55.14 3n1n s TYR 74 Cb 0.00 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 3n1n s TYR 74 CO 0.00 -0.76 -0.23 -1.17 -2.51 0.00 0.00 175.55 170.88 3n1n s LEU 75 N -2.92 2.12 -0.29 -3.49 2.96 0.12 -0.80 118.68 116.37 3n1n s LEU 75 Ca 0.13 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3n1n s LEU 75 Cb 0.02 -1.43 0.08 0.00 0.50 0.00 0.00 46.19 45.37 3n1n s LEU 75 CO -0.03 0.13 0.03 0.00 -1.32 0.00 0.00 176.35 175.17 3n1n s ALA 76 N 0.52 2.01 0.00 5.97 0.00 -0.67 -1.61 121.76 127.98 3n1n s ALA 76 Ca -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3n1n s ALA 76 Cb -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3n1n s ALA 76 CO 0.05 -1.49 0.00 -0.11 0.00 0.00 0.00 175.76 174.20 3n1n n LEU 77 N 4.64 0.00 -1.31 0.00 7.94 -1.26 -2.39 117.00 124.61 3n1n n LEU 77 Ca -0.04 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.97 3n1n n LEU 77 Cb 0.43 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.69 3n1n n LEU 77 CO 0.16 0.00 0.77 0.35 -1.11 0.00 0.00 177.39 177.56 3n1n n THR 78 N 0.00 1.03 -4.78 1.96 -2.24 -1.26 -4.90 114.28 104.09 3n1n n THR 78 Ca 0.00 -1.01 -0.33 0.00 -2.27 0.00 0.00 64.05 60.44 3n1n n THR 78 Cb 0.00 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 3n1n n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n1n s THR 79 N -1.03 3.03 0.08 4.28 2.01 -1.01 -0.47 115.64 122.54 3n1n s THR 79 Ca 0.47 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 3n1n s THR 79 Cb 0.25 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3n1n s THR 79 CO 0.32 0.52 0.25 -0.94 -0.69 0.00 0.00 174.62 174.08 3n1n s SER 80 N 0.36 6.38 -0.06 3.53 1.04 -0.49 -1.68 113.70 122.78 3n1n s SER 80 Ca -0.11 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.65 3n1n s SER 80 Cb -0.16 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.00 3n1n s SER 80 CO 0.06 0.13 -0.07 -0.31 0.98 0.00 0.00 173.24 174.03 3n1n s TYR 81 N -1.56 1.11 0.07 5.02 1.51 0.02 -0.92 117.35 122.59 3n1n s TYR 81 Ca 0.36 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 3n1n s TYR 81 Cb -0.13 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 3n1n s TYR 81 CO 0.27 -0.28 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.20 3n1n s PHE 82 N 1.02 1.52 0.83 2.71 0.08 -0.66 -1.20 117.98 122.28 3n1n s PHE 82 Ca -0.09 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.46 3n1n s PHE 82 Cb -0.14 -0.87 0.09 0.00 -0.57 0.00 0.00 43.02 41.53 3n1n s PHE 82 CO -0.00 0.11 1.11 -0.06 -0.10 0.00 0.00 175.22 176.27 3n1n s PHE 83 N -1.04 2.23 -1.15 0.36 0.08 -1.07 -0.40 117.98 116.99 3n1n s PHE 83 Ca 0.03 1.63 -0.14 0.00 0.12 0.00 0.00 56.93 58.58 3n1n s PHE 83 Cb -0.09 -3.15 0.18 0.00 -0.57 0.00 0.00 43.02 39.39 3n1n s PHE 83 CO 0.03 -2.17 1.34 1.21 -0.10 0.00 0.00 175.22 175.52 3n1n s ASN 84 N -3.14 7.05 -0.10 1.36 2.47 0.32 -4.63 114.94 118.27 3n1n s ASN 84 Ca 0.63 -2.96 -0.30 0.00 0.42 0.00 0.00 52.86 50.65 3n1n s ASN 84 Cb -0.19 -2.37 0.08 0.00 -1.45 0.00 0.00 41.25 37.32 3n1n s ASN 84 CO 0.57 -0.72 0.73 -1.83 -3.72 0.00 0.00 177.10 172.13 3n1n s GLU 85 N 1.28 0.97 0.24 0.43 -1.05 -1.26 -3.81 118.70 115.49 3n1n s GLU 85 Ca 0.39 0.36 -0.08 0.00 -0.15 0.00 0.00 54.97 55.49 3n1n s GLU 85 Cb -0.04 0.46 0.40 0.00 -0.44 0.00 0.00 34.13 34.50 3n1n s GLU 85 CO -0.02 -0.28 1.63 -1.35 0.95 0.00 0.00 175.26 176.19 3n1n h PRO 86 N 3.27 0.07 -0.21 -4.83 0.11 -2.00 -1.18 132.00 127.22 3n1n h PRO 86 Ca -0.26 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3n1n h PRO 86 Cb 1.15 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3n1n h PRO 86 CO 0.33 0.05 0.05 0.00 -0.21 0.00 0.00 178.00 178.21 3n1n h ALA 87 N 1.71 1.71 -0.09 -0.75 0.00 -1.98 -1.49 119.26 118.37 3n1n h ALA 87 Ca 0.39 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3n1n h ALA 87 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3n1n h ALA 87 CO -0.68 0.23 -0.82 0.00 0.00 0.00 0.00 179.25 177.98 3n1n h ALA 88 N 1.77 0.40 -0.21 0.00 0.00 -1.52 -1.67 119.26 118.02 3n1n h ALA 88 Ca 0.07 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3n1n h ALA 88 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3n1n h ALA 88 CO -0.00 0.73 -0.33 0.22 0.00 0.00 0.00 179.25 179.86 3n1n h ASP 89 N 0.38 0.45 -0.54 0.00 3.58 -1.09 -1.19 116.42 118.01 3n1n h ASP 89 Ca -0.06 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 3n1n h ASP 89 Cb 1.43 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 3n1n h ASP 89 CO 0.15 0.76 0.26 0.25 -2.88 0.00 0.00 179.24 177.78 3n1n h LEU 90 N 0.38 0.72 -1.78 2.28 5.85 -1.13 -2.17 115.31 119.44 3n1n h LEU 90 Ca 0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3n1n h LEU 90 Cb 0.77 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3n1n h LEU 90 CO 0.06 0.65 0.09 0.00 -0.34 0.00 0.00 178.44 178.90 3n1n h ALA 91 N 1.10 1.83 0.00 1.25 0.00 -0.65 -2.19 119.26 120.60 3n1n h ALA 91 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3n1n h ALA 91 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n1n h ALA 91 CO -0.02 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3n1n n SER 92 N -4.49 0.56 0.22 0.00 3.41 -0.51 -1.67 113.62 111.14 3n1n n SER 92 Ca -0.00 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 3n1n n SER 92 Cb 0.10 -0.78 0.24 0.00 -0.26 0.00 0.00 64.21 63.50 3n1n n SER 92 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3n1n h GLN 93 N 0.00 0.00 0.00 4.33 4.20 -1.43 -3.37 115.11 118.83 3n1n h GLN 93 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3n1n h GLN 93 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3n1n h GLN 93 CO 0.00 0.06 -1.65 0.66 -0.67 0.00 0.00 178.83 177.23 3n1n n TYR 94 N -3.12 0.00 -4.47 2.96 4.01 -0.67 -4.99 117.16 110.87 3n1n n TYR 94 Ca 0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 3n1n n TYR 94 Cb 0.52 -0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 39.04 3n1n n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3n1n s VAL 95 N -2.57 2.39 -1.36 -0.72 -7.23 -1.05 -4.78 120.40 105.09 3n1n s VAL 95 Ca -0.05 -2.37 -0.05 0.00 -1.81 0.00 0.00 61.98 57.70 3n1n s VAL 95 Cb 0.06 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.66 3n1n s VAL 95 CO 0.48 -0.38 0.46 0.49 -0.31 0.00 0.00 175.10 175.83 3n1n n PHE 96 N -0.63 -1.64 0.18 2.82 3.72 -1.26 -4.79 117.46 115.86 3n1n n PHE 96 Ca -0.05 0.65 0.05 0.00 -0.05 0.00 0.00 57.45 58.06 3n1n n PHE 96 Cb 0.61 -3.58 0.29 0.00 -0.94 0.00 0.00 39.48 35.86 3n1n n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n1n h ARG 97 N -1.89 0.00 -0.60 -1.08 2.47 -1.89 -3.06 114.38 108.34 3n1n h ARG 97 Ca -0.64 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.08 3n1n h ARG 97 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 3n1n h ARG 97 CO 0.60 0.39 0.00 -1.13 0.56 0.00 0.00 179.97 180.39 3n1n n SER 98 N -3.47 2.89 -4.77 7.04 3.41 -1.26 -4.91 113.62 112.55 3n1n n SER 98 Ca 0.00 -2.26 -0.39 0.00 -0.26 0.00 0.00 58.87 55.96 3n1n n SER 98 Cb 0.54 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3n1n n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n1n s ALA 99 N -1.72 3.26 -0.19 7.33 0.00 -1.16 -4.94 121.76 124.34 3n1n s ALA 99 Ca 0.28 1.01 0.16 0.00 0.00 0.00 0.00 51.96 53.41 3n1n s ALA 99 Cb 0.18 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 20.02 3n1n s ALA 99 CO 0.13 -0.49 1.47 -0.09 0.00 0.00 0.00 175.76 176.78 3n1n h ARG 100 N 2.96 0.00 -3.15 0.00 2.43 -1.12 -3.46 114.38 112.03 3n1n h ARG 100 Ca -0.48 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 3n1n h ARG 100 Cb 1.23 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.53 3n1n h ARG 100 CO 0.64 0.44 -0.42 0.50 -1.51 0.00 0.00 179.97 179.61 3n1n s ARG 101 N -2.99 0.32 -0.14 0.20 3.52 -1.12 -5.05 118.95 113.68 3n1n s ARG 101 Ca 0.04 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.93 3n1n s ARG 101 Cb 0.07 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3n1n s ARG 101 CO 0.74 -0.05 -0.20 0.21 -0.81 0.00 0.00 175.30 175.19 3n1n s LYS 102 N -0.03 2.85 -0.09 5.12 2.20 -1.26 -1.40 119.74 127.13 3n1n s LYS 102 Ca -0.02 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3n1n s LYS 102 Cb -0.02 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.92 3n1n s LYS 102 CO 0.01 -0.07 -0.13 0.42 -0.36 0.00 0.00 175.35 175.22 3n1n s ILE 103 N 0.97 3.16 -0.25 5.43 1.01 -0.10 -4.98 121.20 126.45 3n1n s ILE 103 Ca -0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 3n1n s ILE 103 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3n1n s ILE 103 CO -0.05 0.56 0.14 -0.89 0.00 0.00 0.00 174.94 174.71 3n1n s THR 104 N -0.27 5.07 0.62 2.92 2.01 -1.26 -1.66 115.64 123.07 3n1n s THR 104 Ca 0.02 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 3n1n s THR 104 Cb -0.13 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3n1n s THR 104 CO 0.03 0.33 1.17 -0.76 -0.69 0.00 0.00 174.62 174.69 3n1n s LEU 105 N 1.32 3.56 -1.35 4.42 1.43 0.46 -4.91 118.68 123.62 3n1n s LEU 105 Ca 0.07 2.26 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 3n1n s LEU 105 Cb -0.15 -4.58 0.10 0.00 0.03 0.00 0.00 46.19 41.60 3n1n s LEU 105 CO 0.06 -1.65 2.40 -0.81 0.23 0.00 0.00 176.35 176.58 3n1n n PRO 106 N -1.91 4.46 -3.63 1.29 -0.04 -1.26 -3.55 135.00 130.35 3n1n n PRO 106 Ca 0.13 -3.35 0.02 0.00 -0.04 0.00 0.00 63.50 60.25 3n1n n PRO 106 Cb 0.50 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3n1n n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n1n s TYR 107 N -0.75 -0.03 0.61 0.54 -0.85 -1.26 -5.03 117.35 110.57 3n1n s TYR 107 Ca 0.55 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 57.07 3n1n s TYR 107 Cb 0.18 0.54 0.08 0.00 0.38 0.00 0.00 41.96 43.14 3n1n s TYR 107 CO -0.09 -0.23 0.84 -1.54 -1.52 0.00 0.00 175.55 173.02 3n1n s SER 108 N -3.05 4.92 -0.13 -0.18 1.04 -1.25 0.12 113.70 115.17 3n1n s SER 108 Ca 0.15 -0.37 0.14 0.00 0.48 0.00 0.00 55.95 56.36 3n1n s SER 108 Cb 0.05 -0.27 0.64 0.00 0.10 0.00 0.00 66.02 66.53 3n1n s SER 108 CO -0.04 -1.42 1.51 0.61 0.98 0.00 0.00 173.24 174.87 3n1n n GLY 109 N -2.46 2.44 3.86 7.32 0.00 -1.26 -4.50 105.19 110.59 3n1n n GLY 109 Ca 0.12 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3n1n n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1n s ASN 110 N -0.77 6.67 0.23 1.61 2.20 -1.26 -4.92 114.94 118.70 3n1n s ASN 110 Ca 0.44 1.30 -0.06 0.00 -0.94 0.00 0.00 52.86 53.60 3n1n s ASN 110 Cb 0.30 -2.39 0.42 0.00 -2.00 0.00 0.00 41.25 37.58 3n1n s ASN 110 CO 0.18 -0.35 1.70 1.88 -2.94 0.00 0.00 177.10 177.57 3n1n h TYR 111 N 1.63 0.29 -0.27 1.54 0.05 -1.98 -1.43 116.97 116.81 3n1n h TYR 111 Ca -0.48 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.41 3n1n h TYR 111 Cb 1.18 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 38.82 3n1n h TYR 111 CO 0.62 -0.05 -0.29 1.49 -1.05 0.00 0.00 178.16 178.88 3n1n h GLU 112 N 0.30 -0.28 -0.17 4.88 4.81 -1.98 0.13 114.58 122.27 3n1n h GLU 112 Ca 0.39 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.50 3n1n h GLU 112 Cb 0.63 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3n1n h GLU 112 CO -0.46 -0.19 -0.47 0.00 -0.73 0.00 0.00 179.01 177.16 3n1n h ARG 113 N -0.29 0.43 -0.25 1.92 2.47 -1.79 -2.78 114.38 114.10 3n1n h ARG 113 Ca 0.14 -0.24 -0.14 0.00 -1.26 0.00 0.00 59.98 58.48 3n1n h ARG 113 Cb 0.51 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3n1n h ARG 113 CO -0.43 0.82 -0.42 -0.07 0.56 0.00 0.00 179.97 180.42 3n1n h LEU 114 N 0.35 0.64 -0.72 3.04 3.38 -0.78 -2.33 115.31 118.89 3n1n h LEU 114 Ca 0.02 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 3n1n h LEU 114 Cb 0.96 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3n1n h LEU 114 CO 0.08 0.98 -0.33 1.56 0.09 0.00 0.00 178.44 180.83 3n1n h GLN 115 N 0.49 0.61 -0.26 1.13 4.20 -0.71 -0.81 115.11 119.76 3n1n h GLN 115 Ca 0.04 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3n1n h GLN 115 Cb 0.94 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3n1n h GLN 115 CO 0.08 0.86 0.00 0.82 -0.67 0.00 0.00 178.83 179.93 3n1n h ILE 116 N 0.52 1.25 -0.43 2.54 2.04 -1.39 -1.40 117.51 120.65 3n1n h ILE 116 Ca 0.06 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 3n1n h ILE 116 Cb 0.82 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3n1n h ILE 116 CO 0.07 0.28 0.03 0.00 0.00 0.00 0.00 178.15 178.54 3n1n h ALA 117 N 0.82 1.25 0.00 1.87 0.00 -1.31 -2.87 119.26 119.03 3n1n h ALA 117 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3n1n h ALA 117 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3n1n h ALA 117 CO 0.01 0.50 -0.54 0.00 0.00 0.00 0.00 179.25 179.23 3n1n h ALA 118 N 1.39 0.77 0.00 0.00 0.00 -1.00 -3.45 119.26 116.98 3n1n h ALA 118 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3n1n h ALA 118 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3n1n h ALA 118 CO 0.01 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3n1n n GLY 119 N 0.77 0.60 3.35 0.00 0.00 -0.54 -4.91 105.19 104.46 3n1n n GLY 119 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3n1n n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1n s LYS 120 N -0.29 0.67 0.65 1.61 1.02 -1.17 -5.06 119.74 117.16 3n1n s LYS 120 Ca 0.00 0.33 -0.10 0.00 0.02 0.00 0.00 55.97 56.22 3n1n s LYS 120 Cb 0.00 0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 3n1n s LYS 120 CO 0.00 -0.14 1.02 -1.25 -0.92 0.00 0.00 175.35 174.06 3n1n s PRO 121 N -0.47 3.07 0.00 -1.68 0.04 -1.26 -4.63 135.00 130.06 3n1n s PRO 121 Ca -0.06 0.41 0.19 0.00 0.04 0.00 0.00 61.00 61.58 3n1n s PRO 121 Cb -0.03 -2.11 0.95 0.00 0.04 0.00 0.00 34.50 33.35 3n1n s PRO 121 CO 0.03 -0.82 1.57 2.89 0.04 0.00 0.00 177.00 180.72 3n1n n ARG 122 N -2.82 0.27 0.24 4.56 1.85 -1.26 -1.81 116.66 117.69 3n1n n ARG 122 Ca 0.06 0.11 0.08 0.00 -1.00 0.00 0.00 57.85 57.10 3n1n n ARG 122 Cb 0.56 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 31.06 3n1n n ARG 122 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3n1n h GLU 123 N 0.00 0.00 -0.47 2.89 3.07 -1.92 -2.74 114.58 115.41 3n1n h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3n1n h GLU 123 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3n1n h GLU 123 CO 0.00 0.19 0.00 1.63 -1.40 0.00 0.00 179.01 179.43 3n1n n LYS 124 N -3.94 2.51 -3.89 2.33 5.02 -0.75 -4.59 118.16 114.84 3n1n n LYS 124 Ca -0.02 -2.31 -0.35 0.00 -2.02 0.00 0.00 58.31 53.61 3n1n n LYS 124 Cb 0.27 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 3n1n n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n1n s ILE 125 N -1.23 3.31 0.32 -0.18 1.01 -1.03 -5.00 121.20 118.39 3n1n s ILE 125 Ca 0.38 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3n1n s ILE 125 Cb 0.21 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.96 3n1n s ILE 125 CO 0.29 0.25 1.36 -2.84 0.00 0.00 0.00 174.94 174.00 3n1n s PRO 126 N 1.42 4.31 0.21 2.79 0.02 -1.26 -4.34 135.00 138.15 3n1n s PRO 126 Ca 0.03 2.27 0.08 0.00 0.02 0.00 0.00 61.00 63.40 3n1n s PRO 126 Cb -0.16 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 3n1n s PRO 126 CO -0.02 -0.28 -0.14 0.96 -0.33 0.00 0.00 177.00 177.18 3n1n s ILE 127 N -0.86 1.77 -5.00 2.83 -4.36 -0.73 -4.77 121.20 110.08 3n1n s ILE 127 Ca 0.52 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3n1n s ILE 127 Cb -0.41 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.22 3n1n s ILE 127 CO 0.52 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.74 3n1n n GLY 128 N -0.40 -1.54 0.19 6.27 0.00 -1.26 -1.33 105.19 107.12 3n1n n GLY 128 Ca -0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 3n1n n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n1n h LEU 129 N 0.00 0.65 -1.20 0.99 3.38 -1.56 -2.24 115.31 115.33 3n1n h LEU 129 Ca 0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3n1n h LEU 129 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3n1n h LEU 129 CO 0.00 1.20 0.18 -0.65 0.09 0.00 0.00 178.44 179.26 3n1n h PRO 130 N 0.36 0.74 -0.05 1.13 0.11 -1.77 -1.51 132.00 131.01 3n1n h PRO 130 Ca -0.05 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.85 3n1n h PRO 130 Cb 1.38 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3n1n h PRO 130 CO 0.14 0.63 -0.41 0.00 -0.21 0.00 0.00 178.00 178.15 3n1n h ALA 131 N 1.47 1.23 -0.35 -0.75 0.00 -1.87 -2.13 119.26 116.87 3n1n h ALA 131 Ca 0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3n1n h ALA 131 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3n1n h ALA 131 CO -0.01 0.55 -0.39 1.25 0.00 0.00 0.00 179.25 180.64 3n1n h LEU 132 N 0.09 0.90 -0.68 0.00 5.85 -0.69 -1.22 115.31 119.55 3n1n h LEU 132 Ca 0.01 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3n1n h LEU 132 Cb 0.77 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3n1n h LEU 132 CO 0.06 1.18 0.32 -0.78 -0.34 0.00 0.00 178.44 178.87 3n1n h ASP 133 N 0.69 0.90 -0.31 1.25 3.58 -1.01 -1.09 116.42 120.42 3n1n h ASP 133 Ca 0.06 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 3n1n h ASP 133 Cb 0.97 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 3n1n h ASP 133 CO 0.09 0.79 -0.19 0.00 -2.88 0.00 0.00 179.24 177.04 3n1n h THR 134 N 0.95 1.27 -0.47 2.25 1.03 -1.26 -2.70 112.91 113.98 3n1n h THR 134 Ca 0.23 -1.30 -0.02 0.00 -0.01 0.00 0.00 66.41 65.32 3n1n h THR 134 Cb 0.13 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 68.36 3n1n h THR 134 CO -0.03 0.44 0.22 0.00 -0.01 0.00 0.00 175.52 176.14 3n1n h ALA 135 N 1.09 0.60 -0.66 0.00 0.00 -0.77 -0.47 119.26 119.05 3n1n h ALA 135 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n1n h ALA 135 Cb 0.70 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3n1n h ALA 135 CO 0.05 0.17 0.41 0.82 0.00 0.00 0.00 179.25 180.70 3n1n h ILE 136 N 0.61 1.19 -0.59 0.00 2.04 -1.10 -1.50 117.51 118.16 3n1n h ILE 136 Ca 0.16 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3n1n h ILE 136 Cb 0.13 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3n1n h ILE 136 CO -0.02 0.19 0.22 0.28 0.00 0.00 0.00 178.15 178.82 3n1n h SER 137 N 0.90 0.83 -0.84 1.72 0.02 -1.14 -2.84 113.55 112.19 3n1n h SER 137 Ca 0.24 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3n1n h SER 137 Cb -0.05 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3n1n h SER 137 CO -0.05 0.78 0.46 0.74 -1.14 0.00 0.00 176.83 177.63 3n1n h THR 138 N 0.82 1.25 0.00 -2.27 2.02 -0.77 -2.66 112.91 111.30 3n1n h THR 138 Ca 0.19 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3n1n h THR 138 Cb 0.23 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3n1n h THR 138 CO -0.01 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 176.08 3n1n h LEU 139 N 1.18 0.00 -1.37 2.58 3.38 -1.05 -2.89 115.31 117.14 3n1n h LEU 139 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3n1n h LEU 139 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3n1n h LEU 139 CO -0.05 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.32 3n1n h LEU 140 N 0.00 0.00 -7.65 1.67 3.38 -1.29 -3.39 115.31 108.03 3n1n h LEU 140 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3n1n h LEU 140 Cb 0.53 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.89 3n1n h LEU 140 CO 0.00 0.09 -0.76 -1.00 0.09 0.00 0.00 178.44 176.87 3n1n s HIS 141 N -3.70 3.05 -0.16 1.13 3.76 -1.09 -4.97 115.29 113.31 3n1n s HIS 141 Ca 0.01 -2.39 -0.37 0.00 -0.15 0.00 0.00 55.06 52.15 3n1n s HIS 141 Cb 0.10 -2.22 -0.14 0.00 1.11 0.00 0.00 32.58 31.43 3n1n s HIS 141 CO 0.58 -0.88 1.76 0.98 -0.85 0.00 0.00 174.74 176.33 3n1n n TYR 142 N 4.47 2.14 -3.50 1.40 9.36 -1.26 -4.95 117.16 124.81 3n1n n TYR 142 Ca -0.05 0.32 -0.01 0.00 3.32 0.00 0.00 57.90 61.48 3n1n n TYR 142 Cb 0.42 -2.53 -0.04 0.00 -0.63 0.00 0.00 39.34 36.56 3n1n n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3n1n s ASP 143 N 3.42 -0.98 0.25 2.98 -1.08 -1.26 -5.07 116.67 114.93 3n1n s ASP 143 Ca 0.94 1.21 -0.00 0.00 -0.52 0.00 0.00 52.55 54.18 3n1n s ASP 143 Cb -0.90 2.04 0.30 0.00 -1.46 0.00 0.00 42.92 42.90 3n1n s ASP 143 CO 0.58 -0.24 1.66 0.77 0.52 0.00 0.00 175.17 178.46 3n1n h SER 144 N 8.04 0.60 -0.15 -0.34 4.64 -1.98 -1.75 113.55 122.61 3n1n h SER 144 Ca -0.19 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 3n1n h SER 144 Cb 1.12 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3n1n h SER 144 CO 0.16 0.85 -0.33 0.74 -0.87 0.00 0.00 176.83 177.38 3n1n h THR 145 N 0.51 1.36 -0.02 2.95 2.02 -1.98 -2.78 112.91 114.96 3n1n h THR 145 Ca 0.07 -1.59 -0.14 0.00 0.77 0.00 0.00 66.41 65.52 3n1n h THR 145 Cb 0.74 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 3n1n h THR 145 CO 0.06 0.48 -0.63 0.00 0.37 0.00 0.00 175.52 175.80 3n1n h ALA 146 N 0.55 0.91 -0.29 6.16 0.00 -1.91 -3.11 119.26 121.56 3n1n h ALA 146 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 3n1n h ALA 146 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3n1n h ALA 146 CO 0.07 0.77 -0.16 0.00 0.00 0.00 0.00 179.25 179.93 3n1n h ALA 147 N 1.29 1.18 -0.58 0.00 0.00 -1.31 -1.78 119.26 118.06 3n1n h ALA 147 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3n1n h ALA 147 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3n1n h ALA 147 CO 0.09 0.52 0.37 0.00 0.00 0.00 0.00 179.25 180.23 3n1n h ALA 148 N 1.36 0.74 -0.21 0.00 0.00 -1.42 0.29 119.26 120.02 3n1n h ALA 148 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3n1n h ALA 148 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3n1n h ALA 148 CO 0.04 0.12 -0.47 0.78 0.00 0.00 0.00 179.25 179.72 3n1n h GLY 149 N 0.74 0.60 1.41 0.00 0.00 -1.56 -2.24 103.07 102.02 3n1n h GLY 149 Ca 0.22 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3n1n h GLY 149 CO -0.07 0.58 -0.36 0.00 0.00 0.00 0.00 176.54 176.69 3n1n h ALA 150 N 1.05 0.83 -0.08 3.60 0.00 -0.77 -2.86 119.26 121.03 3n1n h ALA 150 Ca 0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3n1n h ALA 150 Cb 0.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3n1n h ALA 150 CO 0.09 0.64 -0.46 -0.07 0.00 0.00 0.00 179.25 179.45 3n1n h LEU 151 N 0.55 0.20 -1.05 0.00 3.38 -0.31 -0.71 115.31 117.37 3n1n h LEU 151 Ca 0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3n1n h LEU 151 Cb 0.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3n1n h LEU 151 CO 0.07 0.64 0.01 -0.07 0.09 0.00 0.00 178.44 179.19 3n1n h LEU 152 N 0.15 0.65 -0.03 1.67 3.38 -1.19 -0.29 115.31 119.65 3n1n h LEU 152 Ca 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3n1n h LEU 152 Cb 0.88 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3n1n h LEU 152 CO 0.07 0.71 -0.15 0.58 0.09 0.00 0.00 178.44 179.74 3n1n h VAL 153 N 0.65 1.48 -0.61 1.22 2.07 -1.27 -3.04 116.25 116.74 3n1n h VAL 153 Ca 0.13 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3n1n h VAL 153 Cb 0.39 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 3n1n h VAL 153 CO 0.01 0.45 0.32 0.25 0.02 0.00 0.00 177.57 178.62 3n1n h LEU 154 N -0.42 0.46 -0.54 2.57 5.85 -0.96 -1.47 115.31 120.81 3n1n h LEU 154 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3n1n h LEU 154 Cb 0.81 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3n1n h LEU 154 CO 0.03 0.30 0.28 0.40 -0.34 0.00 0.00 178.44 179.12 3n1n h ILE 155 N 0.60 1.19 -0.05 4.05 2.04 -1.12 -2.36 117.51 121.86 3n1n h ILE 155 Ca 0.28 -0.50 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 3n1n h ILE 155 Cb 0.19 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3n1n h ILE 155 CO -0.19 0.21 -0.70 1.56 0.00 0.00 0.00 178.15 179.04 3n1n h GLN 156 N 0.72 0.24 -0.03 2.37 4.20 -1.38 -1.77 115.11 119.47 3n1n h GLN 156 Ca 0.19 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 3n1n h GLN 156 Cb 0.08 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3n1n h GLN 156 CO -0.03 0.84 -0.68 1.79 -0.67 0.00 0.00 178.83 180.09 3n1n h THR 157 N 0.17 1.44 0.00 -0.54 1.35 -1.19 -3.15 112.91 110.99 3n1n h THR 157 Ca -0.02 -2.21 -0.15 0.00 -0.55 0.00 0.00 66.41 63.48 3n1n h THR 157 Cb 1.24 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 69.81 3n1n h THR 157 CO 0.11 0.64 -1.38 0.35 -0.25 0.00 0.00 175.52 174.99 3n1n n THR 158 N -3.79 0.71 -0.03 6.82 -2.24 -0.90 -4.38 114.28 110.46 3n1n n THR 158 Ca -0.02 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3n1n n THR 158 Cb 0.66 -1.68 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 3n1n n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n1n h ALA 159 N -0.38 0.09 -0.26 6.98 0.00 -1.54 -3.15 119.26 121.01 3n1n h ALA 159 Ca -0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 3n1n h ALA 159 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3n1n h ALA 159 CO -0.13 -0.04 -0.39 0.93 0.00 0.00 0.00 179.25 179.62 3n1n h GLU 160 N -0.33 0.59 0.00 0.00 4.39 -1.54 -2.55 114.58 115.15 3n1n h GLU 160 Ca 0.00 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 3n1n h GLU 160 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3n1n h GLU 160 CO 0.02 0.88 -0.32 0.00 -1.16 0.00 0.00 179.01 178.43 3n1n h ALA 161 N 1.09 1.34 -0.11 3.43 0.00 -1.69 -1.68 119.26 121.63 3n1n h ALA 161 Ca 0.05 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3n1n h ALA 161 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3n1n h ALA 161 CO 0.08 0.40 -0.76 0.00 0.00 0.00 0.00 179.25 178.97 3n1n h ALA 162 N 1.68 0.47 -0.09 0.00 0.00 -1.46 -3.27 119.26 116.58 3n1n h ALA 162 Ca -0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 3n1n h ALA 162 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3n1n h ALA 162 CO 0.04 0.73 -0.62 0.00 0.00 0.00 0.00 179.25 179.40 3n1n h ARG 163 N 0.39 0.32 -4.06 0.00 3.08 -1.02 -3.42 114.38 109.66 3n1n h ARG 163 Ca -0.04 -0.22 -0.45 0.00 0.07 0.00 0.00 59.98 59.34 3n1n h ARG 163 Cb 1.36 0.03 -0.35 0.00 0.08 0.00 0.00 29.97 31.09 3n1n h ARG 163 CO 0.14 0.83 -0.78 -0.06 -1.07 0.00 0.00 179.97 179.03 3n1n s PHE 164 N -3.77 0.94 0.29 3.04 0.08 -0.68 -0.41 117.98 117.48 3n1n s PHE 164 Ca -0.05 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 3n1n s PHE 164 Cb 0.12 -0.84 0.46 0.00 -0.57 0.00 0.00 43.02 42.19 3n1n s PHE 164 CO 0.81 -0.28 1.94 -0.22 -0.10 0.00 0.00 175.22 177.37 3n1n h LYS 165 N 7.53 1.08 -0.56 0.44 3.64 0.15 -2.13 116.57 126.70 3n1n h LYS 165 Ca -0.32 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 3n1n h LYS 165 Cb 1.15 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3n1n h LYS 165 CO 0.42 0.71 0.37 -0.92 -2.27 0.00 0.00 179.45 177.76 3n1n h TYR 166 N 1.11 0.69 -0.35 1.91 3.20 -1.87 -0.03 116.97 121.61 3n1n h TYR 166 Ca 0.35 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 3n1n h TYR 166 Cb 0.02 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3n1n h TYR 166 CO -0.00 0.42 -0.21 0.82 -1.64 0.00 0.00 178.16 177.56 3n1n h ILE 167 N 0.74 1.27 -0.84 1.81 2.04 -1.72 0.17 117.51 120.97 3n1n h ILE 167 Ca 0.21 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3n1n h ILE 167 Cb -0.06 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3n1n h ILE 167 CO -0.06 0.42 0.56 -0.08 0.00 0.00 0.00 178.15 178.99 3n1n h GLU 168 N 0.60 1.12 -0.33 2.37 4.81 -0.81 -1.70 114.58 120.64 3n1n h GLU 168 Ca 0.09 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3n1n h GLU 168 Cb 0.68 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3n1n h GLU 168 CO 0.05 0.74 -0.29 1.96 -0.73 0.00 0.00 179.01 180.74 3n1n h GLN 169 N 1.15 0.70 -0.68 1.92 4.20 -0.46 -2.22 115.11 119.71 3n1n h GLN 169 Ca 0.31 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n1n h GLN 169 Cb -0.13 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3n1n h GLN 169 CO -0.07 0.91 0.42 1.96 -0.67 0.00 0.00 178.83 181.38 3n1n h GLN 170 N 0.60 0.91 -0.06 1.46 1.08 -0.27 -2.21 115.11 116.62 3n1n h GLN 170 Ca 0.07 -0.07 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3n1n h GLN 170 Cb 0.79 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3n1n h GLN 170 CO 0.07 0.62 -0.77 0.82 -0.95 0.00 0.00 178.83 178.62 3n1n h ILE 171 N 0.93 1.39 -0.06 2.54 1.08 -1.08 -3.05 117.51 119.27 3n1n h ILE 171 Ca 0.25 -2.23 -0.07 0.00 -0.39 0.00 0.00 64.86 62.42 3n1n h ILE 171 Cb -0.06 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 3n1n h ILE 171 CO -0.05 0.67 -0.28 1.56 -0.69 0.00 0.00 178.15 179.36 3n1n h GLN 172 N 0.25 0.10 0.00 2.37 4.20 -0.96 -1.72 115.11 119.35 3n1n h GLN 172 Ca -0.04 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3n1n h GLN 172 Cb 1.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3n1n h GLN 172 CO 0.13 0.38 -0.39 0.93 -0.67 0.00 0.00 178.83 179.21 3n1n h GLU 173 N 0.09 0.00 -0.96 1.46 5.08 -1.32 -2.98 114.58 115.96 3n1n h GLU 173 Ca 0.01 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.79 3n1n h GLU 173 Cb 0.55 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.51 3n1n h GLU 173 CO 0.04 0.39 0.67 0.54 -1.00 0.00 0.00 179.01 179.65 3n1n n ARG 174 N -3.85 2.48 0.19 2.33 1.74 -0.66 -4.63 116.66 114.27 3n1n n ARG 174 Ca -0.01 -3.19 0.04 0.00 -0.77 0.00 0.00 57.85 53.92 3n1n n ARG 174 Cb 0.45 -2.22 0.40 0.00 -1.02 0.00 0.00 32.46 30.07 3n1n n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1n h ALA 175 N 1.51 1.34 0.00 7.54 0.00 -1.39 -1.91 119.26 126.34 3n1n h ALA 175 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3n1n h ALA 175 Cb 1.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3n1n h ALA 175 CO 1.29 0.43 0.00 0.66 0.00 0.00 0.00 179.25 181.63 3n1n n TYR 176 N -3.99 0.00 -3.67 0.00 4.01 -1.26 -4.35 117.16 107.91 3n1n n TYR 176 Ca -0.02 -0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 57.43 3n1n n TYR 176 Cb 0.40 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.32 3n1n n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3n1n s ARG 177 N -0.43 0.44 0.52 -0.72 3.52 -1.24 -4.96 118.95 116.08 3n1n s ARG 177 Ca 0.00 1.04 -0.17 0.00 -0.13 0.00 0.00 55.73 56.47 3n1n s ARG 177 Cb 0.00 0.25 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 3n1n s ARG 177 CO 0.00 -0.20 1.00 -0.51 -0.81 0.00 0.00 175.30 174.78 3n1n s ASP 178 N 2.08 6.51 -0.21 -2.12 1.01 -1.26 -4.37 116.67 118.31 3n1n s ASP 178 Ca -0.06 1.64 -0.21 0.00 0.71 0.00 0.00 52.55 54.63 3n1n s ASP 178 Cb -0.10 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.37 3n1n s ASP 178 CO -0.15 -0.66 0.58 -0.70 0.21 0.00 0.00 175.17 174.45 3n1n s GLU 179 N -3.92 0.70 0.73 8.23 2.12 -0.44 -4.84 118.70 121.27 3n1n s GLU 179 Ca 0.60 0.77 -0.16 0.00 0.36 0.00 0.00 54.97 56.54 3n1n s GLU 179 Cb -0.11 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.64 3n1n s GLU 179 CO 0.29 -0.09 1.12 1.33 -0.54 0.00 0.00 175.26 177.37 3n1n n VAL 180 N 2.66 3.11 -2.37 3.70 0.24 -1.26 -1.78 118.33 122.62 3n1n n VAL 180 Ca -0.14 -0.35 -0.37 0.00 -2.04 0.00 0.00 64.34 61.44 3n1n n VAL 180 Cb 0.56 -1.23 -0.02 0.00 -1.47 0.00 0.00 33.84 31.68 3n1n n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3n1n s PRO 181 N -3.58 3.96 0.99 7.34 0.04 -1.26 -4.85 135.00 137.64 3n1n s PRO 181 Ca 0.76 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.36 3n1n s PRO 181 Cb -0.34 -2.50 0.18 0.00 0.04 0.00 0.00 34.50 31.88 3n1n s PRO 181 CO 0.48 -0.36 1.09 -1.54 0.04 0.00 0.00 177.00 176.71 3n1n s SER 182 N -1.41 2.71 0.29 6.66 1.04 -1.26 -4.88 113.70 116.86 3n1n s SER 182 Ca 0.60 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.33 3n1n s SER 182 Cb -0.26 -1.95 0.45 0.00 0.10 0.00 0.00 66.02 64.36 3n1n s SER 182 CO 0.32 -3.09 1.76 0.28 0.98 0.00 0.00 173.24 173.50 3n1n h SER 183 N -1.86 0.51 -0.41 7.02 0.02 -1.94 -2.54 113.55 114.35 3n1n h SER 183 Ca -0.54 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.22 3n1n h SER 183 Cb 1.32 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 3n1n h SER 183 CO 0.56 0.70 0.10 0.00 -1.14 0.00 0.00 176.83 177.05 3n1n h ALA 184 N 1.35 1.27 -0.37 3.77 0.00 -1.79 0.22 119.26 123.71 3n1n h ALA 184 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n1n h ALA 184 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3n1n h ALA 184 CO 0.04 0.51 0.14 1.15 0.00 0.00 0.00 179.25 181.09 3n1n h THR 185 N 0.71 1.19 -0.35 0.00 2.02 -1.78 -0.63 112.91 114.07 3n1n h THR 185 Ca 0.16 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 3n1n h THR 185 Cb 0.29 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3n1n h THR 185 CO 0.00 0.21 -0.26 0.40 0.37 0.00 0.00 175.52 176.24 3n1n h ILE 186 N 0.45 1.29 -0.54 3.11 2.04 -1.23 -1.74 117.51 120.88 3n1n h ILE 186 Ca 0.12 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3n1n h ILE 186 Cb 0.20 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3n1n h ILE 186 CO -0.01 0.47 0.33 -1.28 0.00 0.00 0.00 178.15 177.66 3n1n h SER 187 N 0.59 0.54 -0.05 1.72 0.87 -0.83 -1.89 113.55 114.50 3n1n h SER 187 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3n1n h SER 187 Cb 0.83 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3n1n h SER 187 CO 0.07 0.38 0.01 -0.07 -0.53 0.00 0.00 176.83 176.69 3n1n h LEU 188 N 0.66 0.01 -0.87 2.23 4.07 -0.99 -2.18 115.31 118.23 3n1n h LEU 188 Ca 0.21 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.29 3n1n h LEU 188 Cb 0.01 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 3n1n h LEU 188 CO -0.09 0.01 0.50 -0.33 -1.08 0.00 0.00 178.44 177.46 3n1n h GLU 189 N 0.03 0.78 0.00 1.13 5.08 -0.96 -1.90 114.58 118.75 3n1n h GLU 189 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3n1n h GLU 189 Cb 0.01 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3n1n h GLU 189 CO -0.02 0.51 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.48 3n1n h ASN 190 N 0.80 0.00 -0.28 1.42 2.35 -0.98 -3.29 115.58 115.60 3n1n h ASN 190 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3n1n h ASN 190 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3n1n h ASN 190 CO -0.28 0.11 0.00 -1.20 -1.65 0.00 0.00 177.43 174.41 3n1n n SER 191 N -3.22 3.19 -0.20 5.81 7.64 -0.73 -4.63 113.62 121.49 3n1n n SER 191 Ca 0.01 -1.94 0.01 0.00 1.01 0.00 0.00 58.87 57.96 3n1n n SER 191 Cb 0.40 -0.18 0.11 0.00 -1.01 0.00 0.00 64.21 63.53 3n1n n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3n1n h TRP 192 N 4.12 0.10 -0.25 1.43 7.01 -1.60 0.19 115.95 126.94 3n1n h TRP 192 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3n1n h TRP 192 Cb 0.92 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.02 3n1n h TRP 192 CO 0.18 -0.10 0.06 0.77 -2.79 0.00 0.00 178.44 176.56 3n1n h SER 193 N 0.19 0.38 -0.18 2.65 0.02 -1.88 -0.31 113.55 114.43 3n1n h SER 193 Ca 0.32 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3n1n h SER 193 Cb 0.51 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3n1n h SER 193 CO -0.46 0.52 0.12 1.23 -1.14 0.00 0.00 176.83 177.09 3n1n h GLY 194 N 0.23 0.25 0.93 -3.77 0.00 -1.63 -1.76 103.07 97.32 3n1n h GLY 194 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3n1n h GLY 194 CO 0.00 0.09 0.14 1.41 0.00 0.00 0.00 176.54 178.19 3n1n h LEU 195 N 0.24 0.48 -0.70 3.11 3.38 -0.64 -1.79 115.31 119.39 3n1n h LEU 195 Ca 0.06 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3n1n h LEU 195 Cb -0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3n1n h LEU 195 CO -0.01 0.51 0.38 0.28 0.09 0.00 0.00 178.44 179.69 3n1n h SER 196 N 0.42 0.55 -0.15 -0.43 0.02 -0.91 -0.95 113.55 112.10 3n1n h SER 196 Ca 0.12 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3n1n h SER 196 Cb 0.18 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3n1n h SER 196 CO -0.01 0.34 -0.10 0.50 -1.14 0.00 0.00 176.83 176.43 3n1n h LYS 197 N 0.69 0.34 0.00 3.45 3.64 -1.13 -2.53 116.57 121.02 3n1n h LYS 197 Ca 0.32 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3n1n h LYS 197 Cb 0.24 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3n1n h LYS 197 CO -0.21 0.68 -0.26 1.96 -2.27 0.00 0.00 179.45 179.35 3n1n h GLN 198 N -0.01 0.00 -0.21 1.90 1.08 -1.10 -0.13 115.11 116.64 3n1n h GLN 198 Ca 0.03 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.04 3n1n h GLN 198 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3n1n h GLN 198 CO 0.03 0.26 -0.65 0.82 -0.95 0.00 0.00 178.83 178.34 3n1n h ILE 199 N 0.00 1.29 -0.28 2.54 2.04 -1.15 -0.97 117.51 120.98 3n1n h ILE 199 Ca -0.00 -1.86 -0.14 0.00 1.00 0.00 0.00 64.86 63.86 3n1n h ILE 199 Cb 0.51 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3n1n h ILE 199 CO 0.03 0.59 -0.39 1.56 0.00 0.00 0.00 178.15 179.94 3n1n h GLN 200 N 0.56 0.66 0.00 2.37 4.20 -0.97 -3.05 115.11 118.88 3n1n h GLN 200 Ca -0.01 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.29 3n1n h GLN 200 Cb 1.25 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3n1n h GLN 200 CO 0.13 0.94 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.85 3n1n h LEU 201 N 0.55 0.00 -1.68 1.46 4.07 -0.96 -3.16 115.31 115.59 3n1n h LEU 201 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3n1n h LEU 201 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 3n1n h LEU 201 CO 0.08 0.31 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 3n1n h ALA 202 N 1.69 1.00 -0.14 1.53 0.00 -1.06 -3.32 119.26 118.96 3n1n h ALA 202 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3n1n h ALA 202 Cb 0.93 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3n1n h ALA 202 CO 0.04 0.00 -0.21 1.96 0.00 0.00 0.00 179.25 181.04 3n1n h GLN 203 N 0.00 -0.26 -0.48 0.00 4.20 -1.65 -0.23 115.11 116.69 3n1n h GLN 203 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3n1n h GLN 203 Cb 0.35 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3n1n h GLN 203 CO 0.00 -0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.40 3n1n n GLY 204 N -1.35 1.22 1.31 3.46 0.00 -1.25 -3.87 105.19 104.71 3n1n n GLY 204 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 3n1n n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3n1n n ASN 205 N 0.70 2.20 -1.70 1.61 5.15 -0.68 -4.99 115.26 117.56 3n1n n ASN 205 Ca 0.15 -3.28 -0.19 0.00 -0.60 0.00 0.00 54.58 50.66 3n1n n ASN 205 Cb 0.43 -0.44 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 3n1n n ASN 205 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3n1n n ASN 206 N -0.63 -5.34 -0.00 1.20 3.02 -1.20 -2.22 115.26 110.10 3n1n n ASN 206 Ca 0.20 0.29 -0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3n1n n ASN 206 Cb 0.86 -4.46 -0.00 0.00 -0.61 0.00 0.00 39.78 35.57 3n1n n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n1n n GLY 207 N -0.78 0.46 3.71 7.41 0.00 -0.18 -4.98 105.19 110.83 3n1n n GLY 207 Ca -0.20 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3n1n n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1n s VAL 208 N -2.00 5.07 0.37 1.61 1.01 -0.94 -1.06 120.40 124.47 3n1n s VAL 208 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3n1n s VAL 208 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3n1n s VAL 208 CO 0.00 0.50 1.29 -0.36 0.00 0.00 0.00 175.10 176.52 3n1n s PHE 209 N 0.00 2.96 0.13 5.22 0.40 -0.08 -4.32 117.98 122.30 3n1n s PHE 209 Ca 0.08 1.43 -0.15 0.00 -0.60 0.00 0.00 56.93 57.69 3n1n s PHE 209 Cb -0.12 -3.64 -0.00 0.00 0.51 0.00 0.00 43.02 39.77 3n1n s PHE 209 CO 0.00 -1.88 1.61 0.00 0.70 0.00 0.00 175.22 175.66 3n1n h ARG 210 N 3.02 0.71 -3.68 0.44 2.47 -1.89 -3.42 114.38 112.02 3n1n h ARG 210 Ca -0.49 -0.19 -0.28 0.00 -1.26 0.00 0.00 59.98 57.76 3n1n h ARG 210 Cb 1.24 -0.08 -0.31 0.00 -1.65 0.00 0.00 29.97 29.16 3n1n h ARG 210 CO 0.64 0.75 -0.73 0.95 0.56 0.00 0.00 179.97 182.14 3n1n s THR 211 N -5.18 0.02 0.58 2.04 -4.23 -1.26 -5.15 115.64 102.46 3n1n s THR 211 Ca -0.13 0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 60.26 3n1n s THR 211 Cb 0.10 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.82 3n1n s THR 211 CO 0.79 0.06 1.33 -2.84 -0.54 0.00 0.00 174.62 173.41 3n1n s PRO 212 N 0.53 2.96 -0.17 3.99 0.02 -1.26 -4.97 135.00 136.10 3n1n s PRO 212 Ca -0.05 2.16 -0.06 0.00 0.02 0.00 0.00 61.00 63.07 3n1n s PRO 212 Cb -0.07 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 3n1n s PRO 212 CO -0.01 -1.30 0.03 0.99 -0.33 0.00 0.00 177.00 176.37 3n1n s THR 213 N -1.35 4.51 -0.28 0.99 2.01 -0.43 -4.92 115.64 116.17 3n1n s THR 213 Ca 0.75 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 3n1n s THR 213 Cb -0.39 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3n1n s THR 213 CO 0.44 0.48 0.31 -0.69 -0.69 0.00 0.00 174.62 174.48 3n1n s VAL 214 N 0.24 5.22 0.36 3.82 1.01 -1.26 -0.58 120.40 129.21 3n1n s VAL 214 Ca 0.02 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3n1n s VAL 214 Cb -0.13 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3n1n s VAL 214 CO 0.01 0.17 0.06 -0.76 0.00 0.00 0.00 175.10 174.58 3n1n s LEU 215 N 1.96 2.28 -0.09 3.92 1.43 -0.32 -4.97 118.68 122.88 3n1n s LEU 215 Ca 0.12 -1.43 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 3n1n s LEU 215 Cb -0.16 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 3n1n s LEU 215 CO 0.10 -0.64 -0.20 -0.69 0.23 0.00 0.00 176.35 175.16 3n1n s VAL 216 N -3.16 2.49 0.61 -1.59 1.01 -1.26 -0.70 120.40 117.81 3n1n s VAL 216 Ca 0.33 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3n1n s VAL 216 Cb 0.08 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.56 3n1n s VAL 216 CO 0.15 0.55 0.85 1.51 0.00 0.00 0.00 175.10 178.16 3n1n s ASP 217 N 0.11 4.89 0.20 3.32 3.84 -0.34 -4.12 116.67 124.56 3n1n s ASP 217 Ca -0.09 -0.42 -0.13 0.00 -0.00 0.00 0.00 52.55 51.91 3n1n s ASP 217 Cb -0.16 -0.19 0.22 0.00 -1.38 0.00 0.00 42.92 41.42 3n1n s ASP 217 CO 0.06 -1.45 1.67 0.77 -0.00 0.00 0.00 175.17 176.22 3n1n h SER 218 N -0.09 -0.27 0.00 2.11 4.64 -1.96 0.33 113.55 118.31 3n1n h SER 218 Ca -0.36 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3n1n h SER 218 Cb 1.28 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3n1n h SER 218 CO 0.43 -0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 3n1n n LYS 219 N -5.27 0.59 -0.31 4.77 5.02 -1.26 -4.81 118.16 116.89 3n1n n LYS 219 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3n1n n LYS 219 Cb 0.30 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3n1n n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n1n n GLY 220 N 0.17 0.75 3.72 0.72 0.00 0.11 -5.08 105.19 105.59 3n1n n GLY 220 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3n1n n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n1n s ASN 221 N -2.50 6.67 1.02 1.61 0.02 -1.24 -4.68 114.94 115.85 3n1n s ASN 221 Ca 0.00 0.80 -0.16 0.00 -1.02 0.00 0.00 52.86 52.48 3n1n s ASN 221 Cb 0.00 -2.28 0.05 0.00 0.02 0.00 0.00 41.25 39.04 3n1n s ASN 221 CO 0.00 0.00 0.15 -1.14 0.02 0.00 0.00 177.10 176.13 3n1n n ARG 222 N 3.69 -0.81 -3.58 -0.60 0.63 -1.26 -1.20 116.66 113.52 3n1n n ARG 222 Ca -0.07 -0.21 -0.08 0.00 -0.92 0.00 0.00 57.85 56.57 3n1n n ARG 222 Cb 0.52 -1.74 -0.04 0.00 0.45 0.00 0.00 32.46 31.64 3n1n n ARG 222 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3n1n s VAL 223 N -2.31 0.00 -0.15 5.15 0.11 0.13 -4.73 120.40 118.60 3n1n s VAL 223 Ca 0.55 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.59 3n1n s VAL 223 Cb -0.16 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 3n1n s VAL 223 CO 0.68 0.00 -0.12 -1.10 -3.33 0.00 0.00 175.10 171.23 3n1n s GLN 224 N -1.41 3.36 -0.24 1.54 -0.21 -1.26 -1.18 119.66 120.27 3n1n s GLN 224 Ca 0.02 -0.68 -0.09 0.00 0.02 0.00 0.00 55.36 54.63 3n1n s GLN 224 Cb -0.01 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 3n1n s GLN 224 CO -0.02 0.10 0.11 0.42 -2.12 0.00 0.00 175.29 173.79 3n1n s ILE 225 N 0.64 4.84 -0.03 1.08 -1.09 0.26 -4.94 121.20 121.95 3n1n s ILE 225 Ca -0.07 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 3n1n s ILE 225 Cb -0.15 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 3n1n s ILE 225 CO 0.03 0.35 0.04 0.35 -1.23 0.00 0.00 174.94 174.47 3n1n n THR 226 N 4.51 0.00 -3.88 2.92 -2.24 -1.26 -1.31 114.28 113.02 3n1n n THR 226 Ca -0.16 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 3n1n n THR 226 Cb 0.52 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 3n1n n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n1n s ASN 227 N -1.50 -0.08 0.00 3.42 2.20 -1.26 -0.90 114.94 116.81 3n1n s ASN 227 Ca 0.00 -0.73 0.16 0.00 -0.94 0.00 0.00 52.86 51.35 3n1n s ASN 227 Cb 0.01 0.50 0.94 0.00 -2.00 0.00 0.00 41.25 40.70 3n1n s ASN 227 CO 0.04 -0.98 1.37 1.33 -2.94 0.00 0.00 177.10 175.93 3n1n n VAL 228 N -0.28 0.07 0.53 3.54 0.24 -0.22 -2.82 118.33 119.39 3n1n n VAL 228 Ca -0.08 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.36 3n1n n VAL 228 Cb 0.63 -0.77 0.30 0.00 -1.47 0.00 0.00 33.84 32.53 3n1n n VAL 228 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3n1n h THR 229 N 0.00 0.00 -4.14 3.34 2.02 -1.96 -3.39 112.91 108.77 3n1n h THR 229 Ca 0.00 -0.58 -0.52 0.00 0.77 0.00 0.00 66.41 66.07 3n1n h THR 229 Cb 0.02 1.47 0.12 0.00 -1.74 0.00 0.00 68.15 68.02 3n1n h THR 229 CO 0.00 0.00 0.42 -0.55 0.37 0.00 0.00 175.52 175.76 3n1n s SER 230 N -4.76 4.95 0.23 4.18 0.15 -1.13 -4.77 113.70 112.56 3n1n s SER 230 Ca 0.09 2.26 -0.08 0.00 0.70 0.00 0.00 55.95 58.91 3n1n s SER 230 Cb 0.11 -2.58 0.39 0.00 -1.71 0.00 0.00 66.02 62.23 3n1n s SER 230 CO 0.64 -1.75 1.65 0.78 1.20 0.00 0.00 173.24 175.76 3n1n h ASN 231 N 0.37 -0.30 -0.85 5.45 2.35 -1.92 -0.44 115.58 120.24 3n1n h ASN 231 Ca -0.49 0.18 0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3n1n h ASN 231 Cb 1.28 0.31 -0.09 0.00 0.05 0.00 0.00 38.32 39.88 3n1n h ASN 231 CO 0.53 -0.15 0.46 0.58 -1.65 0.00 0.00 177.43 177.21 3n1n h VAL 232 N 0.12 0.80 0.14 2.81 2.07 -1.95 -0.08 116.25 120.17 3n1n h VAL 232 Ca 0.38 -0.24 -0.30 0.00 0.82 0.00 0.00 66.70 67.36 3n1n h VAL 232 Cb 0.65 0.04 0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3n1n h VAL 232 CO -0.61 0.13 -1.27 0.58 0.02 0.00 0.00 177.57 176.42 3n1n h VAL 233 N 0.70 1.28 0.02 2.57 2.07 -1.51 -2.13 116.25 119.25 3n1n h VAL 233 Ca 0.44 -2.49 -0.21 0.00 0.82 0.00 0.00 66.70 65.26 3n1n h VAL 233 Cb 0.54 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3n1n h VAL 233 CO -0.31 0.76 -0.97 0.71 0.02 0.00 0.00 177.57 177.77 3n1n h THR 234 N 0.25 1.64 0.00 2.57 1.35 -0.73 -3.42 112.91 114.58 3n1n h THR 234 Ca -0.20 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.50 3n1n h THR 234 Cb 1.95 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 71.11 3n1n h THR 234 CO 0.24 0.91 -0.30 -1.54 -0.25 0.00 0.00 175.52 174.58 3n1n n SER 235 N -3.45 0.04 0.02 5.36 3.41 -0.08 -5.00 113.62 113.93 3n1n n SER 235 Ca -0.01 -1.63 -0.01 0.00 -0.26 0.00 0.00 58.87 56.96 3n1n n SER 235 Cb 0.90 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3n1n n SER 235 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3n1n n ASN 236 N -0.02 1.00 -4.70 4.04 2.85 -1.07 -4.76 115.26 112.60 3n1n n ASN 236 Ca 0.00 0.14 -0.42 0.00 -0.11 0.00 0.00 54.58 54.19 3n1n n ASN 236 Cb 0.62 -0.34 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 3n1n n ASN 236 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3n1n s ILE 237 N -1.92 2.81 -0.20 -1.44 2.07 -0.82 0.17 121.20 121.86 3n1n s ILE 237 Ca -0.04 0.43 0.06 0.00 -1.41 0.00 0.00 60.65 59.70 3n1n s ILE 237 Cb 0.01 -3.28 -0.07 0.00 0.13 0.00 0.00 42.46 39.24 3n1n s ILE 237 CO 0.06 0.01 0.21 0.00 -1.91 0.00 0.00 174.94 173.31 3n1n n GLN 238 N 4.86 3.62 -3.85 3.50 1.13 0.45 -4.91 117.38 122.17 3n1n n GLN 238 Ca 0.15 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.08 3n1n n GLN 238 Cb 0.39 -0.89 -0.11 0.00 0.11 0.00 0.00 30.24 29.75 3n1n n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3n1n s LEU 239 N -2.62 1.47 -0.11 1.08 1.43 -1.25 -4.21 118.68 114.48 3n1n s LEU 239 Ca 0.01 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3n1n s LEU 239 Cb 0.04 0.64 -0.01 0.00 0.03 0.00 0.00 46.19 46.89 3n1n s LEU 239 CO 0.24 -0.24 -0.19 -0.76 0.23 0.00 0.00 176.35 175.63 3n1n s LEU 240 N -0.79 2.36 -0.04 1.79 1.43 -0.71 -4.97 118.68 117.75 3n1n s LEU 240 Ca -0.09 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 3n1n s LEU 240 Cb -0.05 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3n1n s LEU 240 CO 0.01 0.17 1.10 -0.22 0.23 0.00 0.00 176.35 177.64 3n1n s LEU 241 N 0.28 4.30 0.42 1.79 2.96 -1.26 -1.06 118.68 126.12 3n1n s LEU 241 Ca -0.14 1.73 -0.26 0.00 -0.22 0.00 0.00 54.13 55.24 3n1n s LEU 241 Cb -0.17 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3n1n s LEU 241 CO 0.07 -0.45 1.42 0.21 -1.32 0.00 0.00 176.35 176.27 3n1n s ASN 242 N 1.19 6.12 0.57 3.68 2.47 -1.26 -4.66 114.94 123.06 3n1n s ASN 242 Ca 0.53 2.90 0.30 0.00 0.42 0.00 0.00 52.86 57.01 3n1n s ASN 242 Cb -0.23 -2.65 1.71 0.00 -1.45 0.00 0.00 41.25 38.63 3n1n s ASN 242 CO 0.23 -1.01 2.18 0.71 -3.72 0.00 0.00 177.10 175.50 3n1n h THR 243 N 2.55 0.48 0.00 -5.21 1.35 -1.92 -1.95 112.91 108.20 3n1n h THR 243 Ca -0.51 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3n1n h THR 243 Cb 1.25 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3n1n h THR 243 CO 0.62 0.05 0.00 1.17 -0.25 0.00 0.00 175.52 177.12 3n1n n LYS 244 N -3.66 0.56 0.00 4.72 4.81 -1.26 -1.64 118.16 121.69 3n1n n LYS 244 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3n1n n LYS 244 Cb 0.15 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3n1n n LYS 244 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3n1n n ASN 245 N -0.73 1.08 -0.49 3.14 3.02 -0.73 -5.08 115.26 115.47 3n1n n ASN 245 Ca 0.06 -1.44 0.06 0.00 -0.03 0.00 0.00 54.58 53.23 3n1n n ASN 245 Cb 0.03 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.25 3n1n n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26