#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4c s PRO 2 N 0.00 -0.51 -0.85 1.61 0.04 -1.26 -4.80 135.00 129.23 1n4c s PRO 2 Ca 0.00 -0.35 -0.20 0.00 0.04 0.00 0.00 61.00 60.49 1n4c s PRO 2 Cb 0.00 -1.71 -0.21 0.00 0.04 0.00 0.00 34.50 32.63 1n4c s PRO 2 CO 0.00 -3.19 2.34 -0.11 0.04 0.00 0.00 177.00 176.07 1n4c n LEU 3 N -4.33 0.69 0.00 -3.56 0.00 -1.26 -4.39 117.00 104.15 1n4c n LEU 3 Ca 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 56.01 55.06 1n4c n LEU 3 Cb 0.59 -1.27 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1n4c n LEU 3 CO 0.43 -2.16 0.00 0.61 0.00 0.00 0.00 177.39 176.28 1n4c n GLY 4 N 6.34 -1.17 2.74 -3.96 0.00 -1.26 -5.11 105.19 102.76 1n4c n GLY 4 Ca 0.54 0.73 -0.07 0.00 0.00 0.00 0.00 46.02 47.21 1n4c n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4c n SER 5 N 0.00 -2.65 -3.72 1.61 3.41 -1.26 -4.98 113.62 106.03 1n4c n SER 5 Ca 0.00 -3.06 -0.16 0.00 -0.26 0.00 0.00 58.87 55.39 1n4c n SER 5 Cb 0.00 1.66 0.09 0.00 -0.26 0.00 0.00 64.21 65.70 1n4c n SER 5 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n4c n PRO 6 N 1.63 -1.36 0.00 4.33 -0.02 -1.26 -5.02 135.00 133.30 1n4c n PRO 6 Ca 0.08 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1n4c n PRO 6 Cb 0.64 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1n4c n PRO 6 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n4c n GLU 7 N -0.28 0.00 -1.89 -0.52 1.02 -1.26 -5.00 120.64 112.70 1n4c n GLU 7 Ca 0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1n4c n GLU 7 Cb 0.31 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.65 1n4c n GLU 7 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1n4c s PHE 8 N 0.94 1.66 0.00 -0.32 0.40 -1.26 -4.00 117.98 115.40 1n4c s PHE 8 Ca 0.00 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 1n4c s PHE 8 Cb 0.00 -3.76 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1n4c s PHE 8 CO 0.00 -1.15 0.00 -1.13 0.70 0.00 0.00 175.22 173.64 1n4c n SER 9 N 16.22 0.00 -4.48 1.36 3.41 -1.26 -5.12 113.62 123.74 1n4c n SER 9 Ca 0.43 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.68 1n4c n SER 9 Cb 0.46 0.15 0.07 0.00 -0.26 0.00 0.00 64.21 64.64 1n4c n SER 9 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1n4c n MET 10 N -1.45 0.35 -1.16 4.33 0.00 -1.26 -4.78 117.12 113.16 1n4c n MET 10 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 57.70 57.47 1n4c n MET 10 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 33.22 31.34 1n4c n MET 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1n4c n PRO 11 N -0.79 0.00 -0.25 3.17 -0.02 -1.26 -4.84 135.00 131.01 1n4c n PRO 11 Ca 0.11 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1n4c n PRO 11 Cb 0.50 -0.84 0.05 0.00 -0.02 0.00 0.00 33.50 33.18 1n4c n PRO 11 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n4c h HIS 12 N 0.69 1.11 -2.11 6.00 3.86 -1.98 -3.40 115.15 119.31 1n4c h HIS 12 Ca -0.26 -0.11 -0.58 0.00 -1.16 0.00 0.00 60.37 58.27 1n4c h HIS 12 Cb 1.22 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 1n4c h HIS 12 CO 0.33 0.88 1.44 0.45 0.86 0.00 0.00 177.93 181.88 1n4c s SER 13 N -6.31 5.63 0.16 2.45 0.15 -1.26 -4.84 113.70 109.67 1n4c s SER 13 Ca -0.12 1.94 -0.13 0.00 0.70 0.00 0.00 55.95 58.33 1n4c s SER 13 Cb 0.14 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1n4c s SER 13 CO 0.83 -1.82 1.74 0.77 1.20 0.00 0.00 173.24 175.96 1n4c h SER 14 N 14.26 0.70 -1.09 5.45 4.64 -1.98 -3.40 113.55 132.13 1n4c h SER 14 Ca -0.41 -0.14 -0.39 0.00 -0.47 0.00 0.00 61.79 60.38 1n4c h SER 14 Cb 1.23 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1n4c h SER 14 CO 0.96 0.64 1.43 -2.65 -0.87 0.00 0.00 176.83 176.34 1n4c n PRO 15 N -4.57 0.75 0.00 4.77 -0.02 -1.26 -4.92 135.00 129.74 1n4c n PRO 15 Ca 0.02 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1n4c n PRO 15 Cb 0.12 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.53 1n4c n PRO 15 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1n4c n GLN 16 N 8.76 0.00 -3.62 -0.52 7.27 -1.26 -5.08 117.38 122.93 1n4c n GLN 16 Ca 0.45 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.43 1n4c n GLN 16 Cb 0.43 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.02 1n4c n GLN 16 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1n4c s ASN 17 N -1.58 -0.36 -0.48 1.69 4.22 -1.26 -5.11 114.94 112.07 1n4c s ASN 17 Ca 0.00 0.58 0.05 0.00 -2.14 0.00 0.00 52.86 51.34 1n4c s ASN 17 Cb 0.00 0.54 0.22 0.00 1.28 0.00 0.00 41.25 43.29 1n4c s ASN 17 CO 0.00 -0.20 0.86 -1.14 -2.04 0.00 0.00 177.10 174.58 1n4c n ARG 18 N 1.52 0.54 -1.44 3.55 0.00 -1.26 -5.11 116.66 114.46 1n4c n ARG 18 Ca -0.11 -1.71 -0.53 0.00 -0.00 0.00 0.00 57.85 55.50 1n4c n ARG 18 Cb 0.57 -1.21 -0.08 0.00 0.00 0.00 0.00 32.46 31.74 1n4c n ARG 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1n4c n PRO 19 N 2.37 0.89 0.00 -0.14 -0.02 -1.26 -4.95 135.00 131.89 1n4c n PRO 19 Ca 0.13 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1n4c n PRO 19 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1n4c n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n4c n ASN 20 N 8.75 0.00 -4.56 2.55 2.85 -1.26 -4.84 115.26 118.74 1n4c n ASN 20 Ca 0.42 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.47 1n4c n ASN 20 Cb 0.16 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.16 1n4c n ASN 20 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1n4c s TYR 21 N 0.00 2.33 -0.36 1.20 5.04 -1.26 -4.72 117.35 119.58 1n4c s TYR 21 Ca 0.00 0.26 0.05 0.00 -2.44 0.00 0.00 57.07 54.94 1n4c s TYR 21 Cb 0.00 -4.50 0.26 0.00 0.35 0.00 0.00 41.96 38.07 1n4c s TYR 21 CO 0.00 -1.94 1.24 -1.71 -1.34 0.00 0.00 175.55 171.81 1n4c n ASN 22 N 9.40 -1.55 -4.70 4.32 5.15 -1.26 -5.12 115.26 121.50 1n4c n ASN 22 Ca 0.08 -2.29 -0.42 0.00 -0.60 0.00 0.00 54.58 51.35 1n4c n ASN 22 Cb 0.49 1.25 -0.03 0.00 -0.53 0.00 0.00 39.78 40.97 1n4c n ASN 22 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1n4c s VAL 23 N 0.11 3.18 -0.41 3.44 1.01 -1.26 -4.90 120.40 121.57 1n4c s VAL 23 Ca 0.16 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.86 1n4c s VAL 23 Cb 0.25 -3.45 0.24 0.00 0.00 0.00 0.00 36.38 33.42 1n4c s VAL 23 CO -0.10 0.02 1.04 -1.54 0.00 0.00 0.00 175.10 174.52 1n4c n SER 24 N 4.99 -2.12 -4.74 3.32 3.41 -1.26 -5.13 113.62 112.09 1n4c n SER 24 Ca 0.14 -2.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 1n4c n SER 24 Cb 0.41 1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 65.57 1n4c n SER 24 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1n4c n PHE 25 N 1.89 2.74 -3.08 7.33 7.35 -1.26 -4.96 117.46 127.47 1n4c n PHE 25 Ca 0.07 0.35 0.03 0.00 -0.76 0.00 0.00 57.45 57.14 1n4c n PHE 25 Cb 0.65 -2.55 -0.00 0.00 0.35 0.00 0.00 39.48 37.93 1n4c n PHE 25 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1n4c s SER 26 N 0.27 -1.06 0.25 -2.13 1.04 -1.26 -5.01 113.70 105.79 1n4c s SER 26 Ca 0.62 -0.27 0.13 0.00 0.48 0.00 0.00 55.95 56.91 1n4c s SER 26 Cb -0.52 1.47 0.13 0.00 0.10 0.00 0.00 66.02 67.21 1n4c s SER 26 CO 0.53 -0.15 1.47 0.77 0.98 0.00 0.00 173.24 176.84 1n4c h SER 27 N 6.87 0.00 -4.12 7.02 4.64 -2.07 -3.45 113.55 122.44 1n4c h SER 27 Ca -0.01 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.82 1n4c h SER 27 Cb 1.20 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1n4c h SER 27 CO 0.03 0.64 0.39 -0.04 -0.87 0.00 0.00 176.83 176.99 1n4c s MET 28 N -3.07 3.44 -0.05 4.77 -1.94 -1.26 -4.98 119.30 116.20 1n4c s MET 28 Ca 0.02 1.39 -0.23 0.00 -1.71 0.00 0.00 55.69 55.16 1n4c s MET 28 Cb 0.09 -2.04 -0.18 0.00 2.01 0.00 0.00 34.83 34.72 1n4c s MET 28 CO 0.76 -0.74 0.97 -1.00 -0.01 0.00 0.00 175.02 175.00 1n4c h PRO 29 N 0.99 -0.13 0.00 2.03 0.13 -2.05 -3.46 132.00 129.50 1n4c h PRO 29 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n4c h PRO 29 Cb 1.23 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n4c h PRO 29 CO 0.57 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1n4c n GLY 30 N 0.60 0.03 2.31 1.56 0.00 -1.26 -5.13 105.19 103.30 1n4c n GLY 30 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1n4c n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4c n GLY 31 N -0.47 -5.79 3.60 -0.02 0.00 -1.26 -4.84 105.19 96.41 1n4c n GLY 31 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1n4c n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4c n GLN 32 N 1.82 0.85 -2.16 1.61 3.00 -1.26 -4.77 117.38 116.46 1n4c n GLN 32 Ca 0.00 0.33 -0.31 0.00 -0.01 0.00 0.00 57.00 57.01 1n4c n GLN 32 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 30.24 28.07 1n4c n GLN 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1n4c s ASN 33 N -1.25 5.37 0.98 1.08 -0.87 -1.26 -4.94 114.94 114.07 1n4c s ASN 33 Ca 0.75 -1.71 0.00 0.00 -1.57 0.00 0.00 52.86 50.34 1n4c s ASN 33 Cb -0.42 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.23 1n4c s ASN 33 CO 0.48 -2.70 0.00 -1.84 -2.57 0.00 0.00 177.10 170.47 1n4c n GLU 34 N 8.37 -1.13 -2.00 -0.60 0.28 -1.26 -4.93 120.64 119.36 1n4c n GLU 34 Ca 0.45 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.07 1n4c n GLU 34 Cb 0.47 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.35 1n4c n GLU 34 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1n4c s ARG 35 N -2.95 3.49 0.00 3.44 1.70 -1.26 -4.99 118.95 118.38 1n4c s ARG 35 Ca 0.00 2.05 0.00 0.00 -0.47 0.00 0.00 55.73 57.31 1n4c s ARG 35 Cb 0.00 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 32.00 1n4c s ARG 35 CO 0.00 -0.85 0.00 0.41 -1.08 0.00 0.00 175.30 173.78 1n4c n GLY 36 N 0.60 1.76 2.74 3.88 0.00 -1.26 -5.00 105.19 107.91 1n4c n GLY 36 Ca 0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1n4c n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4c n LYS 37 N 0.00 1.44 -0.69 1.61 5.02 -1.26 -4.74 118.16 119.53 1n4c n LYS 37 Ca 0.00 -1.17 -0.30 0.00 -2.02 0.00 0.00 58.31 54.82 1n4c n LYS 37 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 32.64 1n4c n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4c n ALA 38 N 4.53 2.75 -2.80 7.82 0.00 -1.26 -4.36 120.51 127.19 1n4c n ALA 38 Ca 0.31 -2.22 -0.01 0.00 0.00 0.00 0.00 53.44 51.52 1n4c n ALA 38 Cb 0.10 -3.28 0.01 0.00 0.00 0.00 0.00 19.45 16.28 1n4c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c s ALA 39 N 4.98 -3.71 -0.05 0.00 0.00 -1.26 -5.02 121.76 116.70 1n4c s ALA 39 Ca 0.44 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1n4c s ALA 39 Cb 0.11 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.38 1n4c s ALA 39 CO 0.10 -2.42 0.57 0.00 0.00 0.00 0.00 175.76 174.01 1n4c n ALA 40 N 3.27 -0.05 0.30 0.00 0.00 -1.26 -4.96 120.51 117.82 1n4c n ALA 40 Ca 0.11 -0.28 0.15 0.00 0.00 0.00 0.00 53.44 53.42 1n4c n ALA 40 Cb 0.62 -0.43 0.80 0.00 0.00 0.00 0.00 19.45 20.44 1n4c n ALA 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1n4c h ASN 41 N 0.15 0.00 -3.25 0.00 -1.24 -1.95 -3.38 115.58 105.90 1n4c h ASN 41 Ca -0.17 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.27 1n4c h ASN 41 Cb 0.94 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.93 1n4c h ASN 41 CO -0.08 0.00 0.90 -0.76 -1.29 0.00 0.00 177.43 176.20 1n4c s LEU 42 N -5.52 3.91 0.63 0.34 1.43 -1.26 -4.99 118.68 113.22 1n4c s LEU 42 Ca -0.03 1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.99 1n4c s LEU 42 Cb 0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1n4c s LEU 42 CO 0.27 -0.97 1.31 1.21 0.23 0.00 0.00 176.35 178.40 1n4c n GLU 43 N 7.07 1.23 -3.40 1.70 0.00 -1.26 -5.01 120.64 120.96 1n4c n GLU 43 Ca 0.13 0.47 0.01 0.00 0.00 0.00 0.00 57.16 57.78 1n4c n GLU 43 Cb 0.47 -2.54 -0.03 0.00 0.00 0.00 0.00 31.44 29.34 1n4c n GLU 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1n4c s GLY 44 N -1.29 -0.81 0.33 8.31 0.00 -1.26 -5.02 107.32 107.58 1n4c s GLY 44 Ca 0.81 2.17 0.18 0.00 0.00 0.00 0.00 44.72 47.88 1n4c s GLY 44 CO 0.42 3.24 1.53 0.07 0.00 0.00 0.00 173.10 178.35 1n4c h LYS 45 N 7.98 0.00 -0.20 2.90 2.10 -2.05 -3.01 116.57 124.29 1n4c h LYS 45 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1n4c h LYS 45 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1n4c h LYS 45 CO 0.16 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 178.00 1n4c n GLN 46 N -3.24 1.33 -1.76 0.07 0.00 -1.26 -4.86 117.38 107.65 1n4c n GLN 46 Ca 0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 57.00 56.14 1n4c n GLN 46 Cb 0.66 -1.15 -0.03 0.00 0.00 0.00 0.00 30.24 29.72 1n4c n GLN 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1n4c s LYS 47 N -1.78 4.15 0.00 2.61 2.20 -1.14 -4.71 119.74 121.07 1n4c s LYS 47 Ca 0.09 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 1n4c s LYS 47 Cb 0.05 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1n4c s LYS 47 CO 0.05 -0.86 0.13 0.00 -0.36 0.00 0.00 175.35 174.32 1n4c n ALA 48 N 6.31 1.06 0.84 3.13 0.00 -1.26 -4.92 120.51 125.67 1n4c n ALA 48 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1n4c n ALA 48 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.89 1n4c n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 49 N 0.00 1.93 0.63 0.00 0.00 -1.26 -2.75 120.51 119.06 1n4c n ALA 49 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1n4c n ALA 49 Cb 0.40 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.98 1n4c n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1n4c n ASP 50 N -0.56 2.30 -2.71 0.00 2.03 -1.26 -4.38 116.55 111.96 1n4c n ASP 50 Ca 0.01 -2.18 -0.06 0.00 0.52 0.00 0.00 54.79 53.08 1n4c n ASP 50 Cb 0.01 -0.38 0.06 0.00 -0.72 0.00 0.00 41.12 40.08 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1n4c n PHE 51 N 0.35 -2.19 -1.03 -0.67 -0.00 -1.11 -4.97 117.46 107.84 1n4c n PHE 51 Ca 0.11 -1.26 0.00 0.00 -0.00 0.00 0.00 57.45 56.30 1n4c n PHE 51 Cb 0.44 1.36 0.00 0.00 -0.00 0.00 0.00 39.48 41.28 1n4c n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1n4c n GLU 52 N 1.76 0.00 -3.23 -4.13 2.13 -1.26 -5.05 120.64 110.87 1n4c n GLU 52 Ca 0.07 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.88 1n4c n GLU 52 Cb 0.65 -0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.34 1n4c n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1n4c s ASP 53 N 0.00 -1.17 0.00 4.31 1.01 -1.26 -4.97 116.67 114.58 1n4c s ASP 53 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.36 1n4c s ASP 53 Cb 0.00 1.78 0.00 0.00 1.01 0.00 0.00 42.92 45.71 1n4c s ASP 53 CO 0.00 -0.18 0.00 -0.11 0.21 0.00 0.00 175.17 175.09 1n4c n LEU 54 N 4.38 0.00 -2.05 1.23 -0.00 -1.26 -4.91 117.00 114.39 1n4c n LEU 54 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.98 1n4c n LEU 54 Cb 0.55 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.21 1n4c n LEU 54 CO 0.02 0.00 1.14 0.18 -0.00 0.00 0.00 177.39 178.73 1n4c n LEU 55 N -1.00 6.27 -0.18 -1.96 4.77 -1.26 -4.55 117.00 119.09 1n4c n LEU 55 Ca 0.00 -3.45 0.02 0.00 -0.03 0.00 0.00 56.01 52.56 1n4c n LEU 55 Cb 0.00 -0.78 0.29 0.00 -2.33 0.00 0.00 43.42 40.60 1n4c n LEU 55 CO 0.00 0.95 1.22 0.77 -1.33 0.00 0.00 177.39 179.01 1n4c h SER 56 N 1.75 0.77 -4.50 -1.43 4.64 -1.95 -3.47 113.55 109.35 1n4c h SER 56 Ca 0.44 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1n4c h SER 56 Cb 2.55 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 64.45 1n4c h SER 56 CO 0.89 0.54 -0.23 0.61 -0.87 0.00 0.00 176.83 177.78 1n4c n GLY 57 N -1.43 -1.04 0.37 -0.77 0.00 -1.26 -4.79 105.19 96.26 1n4c n GLY 57 Ca 0.08 0.62 0.17 0.00 0.00 0.00 0.00 46.02 46.89 1n4c n GLY 57 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n4c h GLN 58 N 1.00 0.00 -1.53 1.61 1.08 -1.96 -3.41 115.11 111.90 1n4c h GLN 58 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1n4c h GLN 58 Cb 0.75 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.95 1n4c h GLN 58 CO 0.15 0.00 0.57 0.20 -0.95 0.00 0.00 178.83 178.79 1n4c s GLY 59 N -3.70 -0.22 -0.03 3.46 0.00 -1.26 -5.00 107.32 100.56 1n4c s GLY 59 Ca -0.03 2.18 0.01 0.00 0.00 0.00 0.00 44.72 46.88 1n4c s GLY 59 CO 0.36 1.15 0.80 0.69 0.00 0.00 0.00 173.10 176.09 1n4c n PHE 60 N 0.91 0.27 0.00 1.90 3.72 -1.26 -4.72 117.46 118.28 1n4c n PHE 60 Ca -0.10 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1n4c n PHE 60 Cb 0.58 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1n4c n PHE 60 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1n4c n ASN 61 N 0.15 0.00 -4.55 4.37 2.85 -1.26 -4.81 115.26 112.01 1n4c n ASN 61 Ca 0.04 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.11 1n4c n ASN 61 Cb 0.45 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.44 1n4c n ASN 61 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n4c s ALA 62 N -3.99 2.60 -0.03 5.20 0.00 -1.26 -4.95 121.76 119.32 1n4c s ALA 62 Ca 0.00 -1.36 -0.35 0.00 0.00 0.00 0.00 51.96 50.25 1n4c s ALA 62 Cb 0.00 -4.31 -0.13 0.00 0.00 0.00 0.00 23.12 18.67 1n4c s ALA 62 CO 0.00 -3.50 1.72 -2.39 0.00 0.00 0.00 175.76 171.59 1n4c n HIS 63 N 10.10 2.19 -3.12 0.00 1.44 -1.26 -4.90 115.22 119.67 1n4c n HIS 63 Ca 0.11 0.22 0.05 0.00 -2.01 0.00 0.00 57.72 56.09 1n4c n HIS 63 Cb 0.50 -2.57 0.00 0.00 0.12 0.00 0.00 29.99 28.04 1n4c n HIS 63 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1n4c s LYS 64 N 2.78 0.28 -0.44 -1.40 2.20 -1.26 -5.11 119.74 116.79 1n4c s LYS 64 Ca 0.89 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 1n4c s LYS 64 Cb -0.78 0.11 0.18 0.00 -1.51 0.00 0.00 37.83 35.83 1n4c s LYS 64 CO 0.50 -0.51 0.61 -0.51 -0.36 0.00 0.00 175.35 175.07 1n4c s ASP 65 N 2.78 -0.94 0.00 1.43 1.01 -1.26 -5.06 116.67 114.63 1n4c s ASP 65 Ca 0.21 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.13 1n4c s ASP 65 Cb -0.04 1.60 0.00 0.00 1.01 0.00 0.00 42.92 45.49 1n4c s ASP 65 CO -0.22 -0.14 0.00 1.17 0.21 0.00 0.00 175.17 176.18 1n4c n LYS 66 N 3.82 0.00 -2.48 8.23 4.81 -1.26 -5.01 118.16 126.27 1n4c n LYS 66 Ca 0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 1n4c n LYS 66 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1n4c n LYS 66 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1n4c n LYS 67 N 0.00 3.25 -2.81 1.64 2.85 -1.26 -4.96 118.16 116.88 1n4c n LYS 67 Ca 0.00 -3.35 -0.22 0.00 -1.05 0.00 0.00 58.31 53.69 1n4c n LYS 67 Cb 0.00 -3.23 0.09 0.00 -0.65 0.00 0.00 35.03 31.24 1n4c n LYS 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1n4c s GLY 68 N 3.04 1.74 0.57 2.58 0.00 -1.26 -5.09 107.32 108.91 1n4c s GLY 68 Ca 0.47 -1.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 1n4c s GLY 68 CO 0.01 -1.43 1.04 2.56 0.00 0.00 0.00 173.10 175.28 1n4c s PRO 69 N -4.93 3.48 -0.44 2.90 0.04 -1.26 -5.03 135.00 129.76 1n4c s PRO 69 Ca 0.65 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1n4c s PRO 69 Cb -0.05 -2.06 0.28 0.00 0.04 0.00 0.00 34.50 32.71 1n4c s PRO 69 CO 0.42 -0.67 0.82 0.54 0.04 0.00 0.00 177.00 178.15 1n4c n ARG 70 N -1.90 0.85 -3.44 4.56 1.74 -1.26 -5.08 116.66 112.12 1n4c n ARG 70 Ca 0.08 -2.42 -0.43 0.00 -0.77 0.00 0.00 57.85 54.31 1n4c n ARG 70 Cb 0.53 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 1n4c n ARG 70 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1n4c s THR 71 N -0.39 4.92 -1.29 0.55 -4.23 -1.26 -4.91 115.64 109.03 1n4c s THR 71 Ca 0.32 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1n4c s THR 71 Cb 0.25 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1n4c s THR 71 CO -0.14 -0.60 0.55 0.00 -0.54 0.00 0.00 174.62 173.89 1n4c n ILE 72 N 5.12 0.51 0.20 2.99 3.06 -1.26 -0.72 119.36 129.26 1n4c n ILE 72 Ca -0.12 0.17 0.12 0.00 -2.50 0.00 0.00 62.75 60.42 1n4c n ILE 72 Cb 0.43 -1.17 0.15 0.00 0.54 0.00 0.00 39.64 39.59 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n4c h ALA 73 N 1.54 0.93 0.03 1.51 0.00 -2.01 -3.21 119.26 118.06 1n4c h ALA 73 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n4c h ALA 73 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n4c h ALA 73 CO 0.00 0.01 -0.36 1.49 0.00 0.00 0.00 179.25 180.38 1n4c h GLU 74 N 0.00 0.07 -0.78 0.00 4.81 -1.35 -3.15 114.58 114.17 1n4c h GLU 74 Ca -0.00 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1n4c h GLU 74 Cb 1.01 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 1n4c h GLU 74 CO 0.00 1.05 0.45 1.98 -0.73 0.00 0.00 179.01 181.77 1n4c h MET 75 N -0.85 0.77 -0.85 1.92 4.05 -1.70 -0.85 114.93 117.41 1n4c h MET 75 Ca -0.08 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1n4c h MET 75 Cb 1.19 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.77 1n4c h MET 75 CO 0.00 0.51 0.56 0.00 0.23 0.00 0.00 176.91 178.21 1n4c h ARG 76 N 0.79 1.12 -0.79 0.39 2.47 -1.66 -0.45 114.38 116.26 1n4c h ARG 76 Ca 0.36 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 59.10 1n4c h ARG 76 Cb 0.27 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.29 1n4c h ARG 76 CO -0.21 0.75 0.51 -0.22 0.56 0.00 0.00 179.97 181.36 1n4c h LYS 77 N 1.16 0.73 0.00 0.04 3.64 -1.11 -0.92 116.57 120.11 1n4c h LYS 77 Ca 0.31 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1n4c h LYS 77 Cb -0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1n4c h LYS 77 CO -0.07 0.49 -1.00 1.49 -2.27 0.00 0.00 179.45 178.09 1n4c h GLU 78 N 0.76 0.00 -0.11 1.90 4.81 -1.14 -3.35 114.58 117.45 1n4c h GLU 78 Ca 0.36 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1n4c h GLU 78 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1n4c h GLU 78 CO -0.13 0.73 -0.17 1.49 -0.73 0.00 0.00 179.01 180.20 1n4c h GLU 79 N 0.00 -0.13 -1.01 1.92 4.81 0.34 2.30 114.58 122.81 1n4c h GLU 79 Ca -0.06 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.44 1n4c h GLU 79 Cb 1.68 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 31.01 1n4c h GLU 79 CO 0.10 -0.09 0.67 0.52 -0.73 0.00 0.00 179.01 179.48 1n4c h MET 80 N -0.14 0.33 -0.11 1.92 2.86 -1.71 1.28 114.93 119.36 1n4c h MET 80 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n4c h MET 80 Cb 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1n4c h MET 80 CO -0.17 0.22 0.00 0.00 1.06 0.00 0.00 176.91 178.02 1n4c n ALA 81 N -2.52 2.54 0.54 6.32 0.00 0.76 -3.84 120.51 124.30 1n4c n ALA 81 Ca 0.23 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1n4c n ALA 81 Cb 0.87 -1.10 0.45 0.00 0.00 0.00 0.00 19.45 19.67 1n4c n ALA 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n4c n LYS 82 N 0.33 0.17 -2.77 0.00 4.81 0.74 -4.47 118.16 116.98 1n4c n LYS 82 Ca 0.17 0.29 -0.01 0.00 -0.87 0.00 0.00 58.31 57.89 1n4c n LYS 82 Cb 0.36 -1.77 0.02 0.00 0.02 0.00 0.00 35.03 33.65 1n4c n LYS 82 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1n4c s GLU 83 N -3.18 0.41 0.00 1.64 2.12 -1.25 -5.02 118.70 113.43 1n4c s GLU 83 Ca 0.08 -0.31 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 1n4c s GLU 83 Cb 0.11 0.00 -0.16 0.00 0.26 0.00 0.00 34.13 34.35 1n4c s GLU 83 CO 0.46 -0.53 2.87 -0.12 -0.54 0.00 0.00 175.26 177.39 1n4c n MET 84 N 3.18 1.53 -1.53 4.30 0.00 -1.26 -4.89 117.12 118.45 1n4c n MET 84 Ca 0.11 -0.60 -0.45 0.00 -0.00 0.00 0.00 57.70 56.76 1n4c n MET 84 Cb 0.62 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.20 1n4c n MET 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1n4c n ASP 85 N 2.17 0.41 0.00 6.12 -0.08 -1.26 -4.70 116.55 119.21 1n4c n ASP 85 Ca 0.26 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.66 1n4c n ASP 85 Cb 0.72 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1n4c n ASP 85 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1n4c n PRO 86 N 0.75 0.00 -0.06 -0.67 -0.04 -1.26 -0.81 135.00 132.91 1n4c n PRO 86 Ca 0.12 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1n4c n PRO 86 Cb 0.32 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 1n4c n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n4c n GLU 87 N -1.11 0.66 0.11 0.54 2.13 -1.26 -4.06 120.64 117.66 1n4c n GLU 87 Ca 0.00 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 57.96 1n4c n GLU 87 Cb 0.00 -1.67 0.04 0.00 0.27 0.00 0.00 31.44 30.08 1n4c n GLU 87 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1n4c h LYS 88 N 0.00 0.00 -0.96 5.31 1.57 -1.29 -3.18 116.57 118.03 1n4c h LYS 88 Ca -0.42 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1n4c h LYS 88 Cb 2.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.33 1n4c h LYS 88 CO 0.05 0.73 0.61 1.25 -0.57 0.00 0.00 179.45 181.52 1n4c h LEU 89 N 0.00 0.76 -1.74 2.94 5.85 -1.63 0.41 115.31 121.89 1n4c h LEU 89 Ca -0.01 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1n4c h LEU 89 Cb 1.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1n4c h LEU 89 CO 0.09 0.36 0.30 0.50 -0.34 0.00 0.00 178.44 179.36 1n4c h LYS 90 N 0.79 0.30 -0.00 1.25 1.63 -1.74 -2.31 116.57 116.49 1n4c h LYS 90 Ca 0.50 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.26 1n4c h LYS 90 Cb 0.73 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1n4c h LYS 90 CO -0.27 0.20 -0.08 0.82 -3.45 0.00 0.00 179.45 176.67 1n4c h ILE 91 N 0.31 1.59 -0.94 2.00 2.04 -0.38 -2.87 117.51 119.27 1n4c h ILE 91 Ca 0.20 -1.84 0.27 0.00 1.00 0.00 0.00 64.86 64.49 1n4c h ILE 91 Cb 0.39 2.81 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1n4c h ILE 91 CO -0.04 0.49 0.71 -0.07 0.00 0.00 0.00 178.15 179.23 1n4c h LEU 92 N -0.68 0.00 0.02 1.44 3.38 -0.85 0.54 115.31 119.17 1n4c h LEU 92 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1n4c h LEU 92 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1n4c h LEU 92 CO 0.02 0.00 -1.16 -0.33 0.09 0.00 0.00 178.44 177.06 1n4c h GLU 93 N 0.00 0.05 -0.25 1.13 4.39 -1.44 -3.03 114.58 115.43 1n4c h GLU 93 Ca 0.45 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 1n4c h GLU 93 Cb 1.86 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1n4c h GLU 93 CO -0.00 0.97 -0.39 2.35 -1.16 0.00 0.00 179.01 180.78 1n4c h TRP 94 N 0.01 0.87 -0.16 4.33 7.01 0.26 -3.02 115.95 125.26 1n4c h TRP 94 Ca -0.08 -0.30 -0.13 0.00 2.11 0.00 0.00 58.89 60.50 1n4c h TRP 94 Cb 1.84 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.74 1n4c h TRP 94 CO 0.01 1.07 -0.41 -0.84 -2.79 0.00 0.00 178.44 175.48 1n4c h ILE 95 N 0.42 1.35 0.00 2.65 3.07 -1.34 -2.98 117.51 120.68 1n4c h ILE 95 Ca 0.02 -1.67 0.00 0.00 1.55 0.00 0.00 64.86 64.76 1n4c h ILE 95 Cb 0.98 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 1n4c h ILE 95 CO 0.09 0.51 0.00 -1.84 -1.05 0.00 0.00 178.15 175.86 1n4c n GLU 96 N -4.28 0.10 0.07 0.16 0.28 -1.14 -1.67 120.64 114.16 1n4c n GLU 96 Ca -0.07 0.23 -0.21 0.00 -0.16 0.00 0.00 57.16 56.95 1n4c n GLU 96 Cb 0.54 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.78 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1n4c h GLY 97 N 1.86 0.66 -5.00 -1.84 0.00 -1.38 -3.43 103.07 93.93 1n4c h GLY 97 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 47.33 45.85 1n4c h GLY 97 CO 0.00 1.18 -0.18 0.58 0.00 0.00 0.00 176.54 178.12 1n4c n LYS 98 N -3.88 0.43 0.00 4.80 2.85 -1.02 -4.99 118.16 116.35 1n4c n LYS 98 Ca -0.13 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1n4c n LYS 98 Cb 0.93 -0.62 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1n4c n LYS 98 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1n4c n GLU 99 N 1.08 0.66 -1.13 -1.58 0.28 -0.67 -2.67 120.64 116.62 1n4c n GLU 99 Ca 0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.05 1n4c n GLU 99 Cb 0.70 -1.24 0.03 0.00 1.43 0.00 0.00 31.44 32.37 1n4c n GLU 99 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1n4c n ARG 100 N 0.46 0.17 -3.19 3.44 0.63 -1.26 -4.62 116.66 112.29 1n4c n ARG 100 Ca 0.00 -1.88 -0.21 0.00 -0.92 0.00 0.00 57.85 54.84 1n4c n ARG 100 Cb 0.26 -0.31 -0.05 0.00 0.45 0.00 0.00 32.46 32.81 1n4c n ARG 100 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1n4c n ASN 101 N 0.18 0.65 -0.36 6.15 2.85 -1.09 -4.90 115.26 118.75 1n4c n ASN 101 Ca 0.06 -2.88 0.29 0.00 -0.11 0.00 0.00 54.58 51.93 1n4c n ASN 101 Cb 0.98 -0.63 0.54 0.00 1.24 0.00 0.00 39.78 41.92 1n4c n ASN 101 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1n4c h ILE 102 N 1.57 0.21 -0.88 -1.44 -0.00 -1.85 0.77 117.51 115.89 1n4c h ILE 102 Ca 0.09 -0.07 0.06 0.00 -0.00 0.00 0.00 64.86 64.94 1n4c h ILE 102 Cb 0.91 -0.01 -0.06 0.00 -0.00 0.00 0.00 36.82 37.66 1n4c h ILE 102 CO 0.49 0.04 0.57 0.08 -0.00 0.00 0.00 178.15 179.33 1n4c h ARG 103 N 0.21 0.96 0.20 2.19 0.11 -1.96 -2.33 114.38 113.76 1n4c h ARG 103 Ca 0.77 -0.06 -0.28 0.00 0.10 0.00 0.00 59.98 60.51 1n4c h ARG 103 Cb 1.99 -0.22 0.03 0.00 1.11 0.00 0.00 29.97 32.88 1n4c h ARG 103 CO -0.58 0.64 -1.26 0.00 0.10 0.00 0.00 179.97 178.87 1n4c h ALA 104 N 1.52 -0.10 -0.32 0.08 0.00 0.10 -2.99 119.26 117.56 1n4c h ALA 104 Ca 0.38 -0.83 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1n4c h ALA 104 Cb 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1n4c h ALA 104 CO -0.14 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.57 1n4c h LEU 105 N -0.07 -0.30 -1.05 0.00 3.38 -0.81 0.55 115.31 117.01 1n4c h LEU 105 Ca -0.23 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1n4c h LEU 105 Cb 1.96 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.91 1n4c h LEU 105 CO 0.22 -0.11 -0.10 0.17 0.09 0.00 0.00 178.44 178.71 1n4c h LEU 106 N -0.00 0.00 -2.10 1.67 8.10 -1.57 -1.66 115.31 119.76 1n4c h LEU 106 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.14 1n4c h LEU 106 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1n4c h LEU 106 CO -0.33 0.10 0.00 -0.24 -4.11 0.00 0.00 178.44 173.86 1n4c n SER 107 N -3.21 3.11 -0.05 0.17 2.88 -0.14 -4.05 113.62 112.34 1n4c n SER 107 Ca 0.01 -1.95 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1n4c n SER 107 Cb 0.40 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.60 1n4c n SER 107 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n4c n THR 108 N 1.24 0.33 0.07 2.46 -2.24 0.17 -4.59 114.28 111.73 1n4c n THR 108 Ca 0.19 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1n4c n THR 108 Cb 0.54 0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1n4c n THR 108 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1n4c h MET 109 N 0.00 0.32 -0.39 -0.78 -1.53 -1.45 -3.19 114.93 107.91 1n4c h MET 109 Ca 0.00 -0.31 0.11 0.00 -3.44 0.00 0.00 59.70 56.06 1n4c h MET 109 Cb 0.90 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 32.02 1n4c h MET 109 CO 0.00 0.99 0.40 1.12 0.14 0.00 0.00 176.91 179.56 1n4c h HIS 110 N 0.20 0.00 0.00 1.39 2.07 -1.87 0.51 115.15 117.45 1n4c h HIS 110 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1n4c h HIS 110 Cb 1.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.42 1n4c h HIS 110 CO 0.04 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.15 1n4c n THR 111 N -3.79 0.00 -2.30 6.12 -2.24 -1.20 -3.49 114.28 107.38 1n4c n THR 111 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1n4c n THR 111 Cb 0.57 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1n4c n THR 111 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1n4c n VAL 112 N -0.76 0.06 -2.44 2.28 0.24 0.18 -5.05 118.33 112.84 1n4c n VAL 112 Ca 0.10 -0.64 -0.25 0.00 -2.04 0.00 0.00 64.34 61.51 1n4c n VAL 112 Cb 0.04 0.79 0.11 0.00 -1.47 0.00 0.00 33.84 33.31 1n4c n VAL 112 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n4c s LEU 113 N -0.38 2.95 0.26 1.34 1.43 -1.10 -4.94 118.68 118.24 1n4c s LEU 113 Ca 0.17 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1n4c s LEU 113 Cb 0.21 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1n4c s LEU 113 CO -0.09 -1.88 0.73 -1.66 0.23 0.00 0.00 176.35 173.69 1n4c s TRP 114 N -3.23 3.54 -0.18 0.29 -2.14 -1.26 -4.97 118.94 110.98 1n4c s TRP 114 Ca 0.66 1.33 -0.29 0.00 2.66 0.00 0.00 56.10 60.46 1n4c s TRP 114 Cb -0.06 -2.59 -0.05 0.00 -3.10 0.00 0.00 33.47 27.67 1n4c s TRP 114 CO 0.45 0.23 1.99 0.00 -2.66 0.00 0.00 176.95 176.97 1n4c s ALA 115 N -1.71 3.03 0.00 2.67 0.00 -1.26 -3.18 121.76 121.31 1n4c s ALA 115 Ca 0.48 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1n4c s ALA 115 Cb -0.14 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1n4c s ALA 115 CO 0.19 -2.35 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1n4c n GLY 116 N 5.25 3.15 3.60 0.00 0.00 -1.26 -5.10 105.19 110.83 1n4c n GLY 116 Ca 0.25 -0.43 -0.48 0.00 0.00 0.00 0.00 46.02 45.35 1n4c n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n4c n GLU 117 N 0.00 1.78 0.00 1.61 4.07 -1.19 -4.79 120.64 122.12 1n4c n GLU 117 Ca 0.00 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1n4c n GLU 117 Cb 0.00 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 28.70 1n4c n GLU 117 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1n4c n THR 118 N 6.22 0.63 -0.06 6.31 -2.24 -1.26 -4.67 114.28 119.20 1n4c n THR 118 Ca 0.30 -0.76 -0.03 0.00 -2.27 0.00 0.00 64.05 61.29 1n4c n THR 118 Cb 0.30 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 69.10 1n4c n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n4c n LYS 119 N -0.32 0.89 -1.76 -0.78 4.76 -1.26 -4.94 118.16 114.75 1n4c n LYS 119 Ca 0.00 -0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 1n4c n LYS 119 Cb 0.21 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1n4c n LYS 119 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1n4c s TRP 120 N -2.73 2.92 -0.53 2.13 -0.11 -1.26 -4.96 118.94 114.40 1n4c s TRP 120 Ca -0.08 0.41 -0.03 0.00 1.22 0.00 0.00 56.10 57.62 1n4c s TRP 120 Cb 0.08 -4.11 0.14 0.00 -1.50 0.00 0.00 33.47 28.08 1n4c s TRP 120 CO 0.77 -4.15 0.34 0.21 -4.62 0.00 0.00 176.95 169.49 1n4c s LYS 121 N 1.09 2.31 0.02 5.86 2.20 -1.26 -5.06 119.74 124.90 1n4c s LYS 121 Ca 0.74 -2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 53.81 1n4c s LYS 121 Cb -0.49 -3.66 -0.15 0.00 -1.51 0.00 0.00 37.83 32.03 1n4c s LYS 121 CO 0.33 -1.13 0.77 -2.30 -0.36 0.00 0.00 175.35 172.65 1n4c n PRO 122 N 3.93 0.00 -2.96 4.03 -0.02 -1.26 -4.86 135.00 133.85 1n4c n PRO 122 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1n4c n PRO 122 Cb 0.39 -1.11 -0.05 0.00 -0.02 0.00 0.00 33.50 32.72 1n4c n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n4c s VAL 123 N -0.11 4.94 0.07 -1.45 1.01 -1.26 -4.99 120.40 118.60 1n4c s VAL 123 Ca 0.67 1.51 -0.31 0.00 0.00 0.00 0.00 61.98 63.85 1n4c s VAL 123 Cb -0.95 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 31.27 1n4c s VAL 123 CO 0.44 0.08 1.76 -0.83 0.00 0.00 0.00 175.10 176.55 1n4c s GLY 124 N 1.11 1.47 0.65 4.51 0.00 -1.26 -4.78 107.32 109.01 1n4c s GLY 124 Ca 0.36 1.28 0.14 0.00 0.00 0.00 0.00 44.72 46.49 1n4c s GLY 124 CO 0.13 3.08 1.33 -0.33 0.00 0.00 0.00 173.10 177.31 1n4c h MET 125 N 8.91 0.00 0.00 2.90 2.86 -1.94 2.60 114.93 130.26 1n4c h MET 125 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1n4c h MET 125 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1n4c h MET 125 CO 0.94 0.00 -0.27 0.00 1.06 0.00 0.00 176.91 178.64 1n4c n ALA 126 N -1.78 2.74 -0.44 6.32 0.00 -1.26 -3.73 120.51 122.37 1n4c n ALA 126 Ca 0.04 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1n4c n ALA 126 Cb 0.92 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 19.19 1n4c n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n4c n ASP 127 N -1.84 3.54 -1.80 0.00 8.00 0.87 -4.06 116.55 121.26 1n4c n ASP 127 Ca 0.05 -3.01 0.03 0.00 0.71 0.00 0.00 54.79 52.57 1n4c n ASP 127 Cb 0.39 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1n4c n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n4c n LEU 128 N -0.49 1.15 0.00 0.64 -0.00 -1.24 -4.76 117.00 112.29 1n4c n LEU 128 Ca 0.37 -2.25 0.15 0.00 -0.00 0.00 0.00 56.01 54.29 1n4c n LEU 128 Cb 1.24 0.10 0.85 0.00 -0.00 0.00 0.00 43.42 45.61 1n4c n LEU 128 CO 0.38 0.63 1.06 1.33 -0.00 0.00 0.00 177.39 180.79 1n4c n VAL 129 N 0.24 0.00 -4.11 1.47 0.24 -1.26 -4.78 118.33 110.13 1n4c n VAL 129 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 1n4c n VAL 129 Cb 1.07 -0.50 -0.12 0.00 -1.47 0.00 0.00 33.84 32.82 1n4c n VAL 129 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1n4c s THR 130 N -2.31 0.80 0.31 3.34 -4.23 -1.26 -5.05 115.64 107.23 1n4c s THR 130 Ca 0.37 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1n4c s THR 130 Cb 0.21 -0.81 0.17 0.00 1.34 0.00 0.00 72.50 73.41 1n4c s THR 130 CO 0.42 -0.31 1.87 1.55 -0.54 0.00 0.00 174.62 177.61 1n4c h PRO 131 N 4.41 0.73 -0.29 3.99 0.13 -1.93 -1.88 132.00 137.15 1n4c h PRO 131 Ca -0.38 -0.13 0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1n4c h PRO 131 Cb 1.20 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1n4c h PRO 131 CO 0.40 0.65 0.20 0.93 -0.23 0.00 0.00 178.00 179.96 1n4c h GLU 132 N 0.71 0.09 -0.07 0.86 5.08 -1.97 0.69 114.58 119.97 1n4c h GLU 132 Ca 0.16 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 1n4c h GLU 132 Cb 0.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1n4c h GLU 132 CO -0.00 0.06 -0.78 1.96 -1.00 0.00 0.00 179.01 179.24 1n4c h GLN 133 N 0.10 0.46 0.02 2.33 1.08 -1.67 -2.29 115.11 115.14 1n4c h GLN 133 Ca 0.13 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1n4c h GLN 133 Cb 0.41 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1n4c h GLN 133 CO -0.01 1.04 -0.01 0.28 -0.95 0.00 0.00 178.83 179.17 1n4c h VAL 134 N 0.30 0.04 -0.97 -0.54 2.07 -0.67 -3.11 116.25 113.37 1n4c h VAL 134 Ca -0.04 -1.00 0.18 0.00 0.82 0.00 0.00 66.70 66.65 1n4c h VAL 134 Cb 1.38 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 1n4c h VAL 134 CO 0.14 0.01 0.61 0.50 0.02 0.00 0.00 177.57 178.85 1n4c h LYS 135 N -1.01 0.69 -0.70 1.57 3.64 0.13 0.34 116.57 121.23 1n4c h LYS 135 Ca -0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1n4c h LYS 135 Cb 0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1n4c h LYS 135 CO 0.01 0.46 0.23 -0.22 -2.27 0.00 0.00 179.45 177.65 1n4c h LYS 136 N 0.71 1.08 0.05 1.90 3.64 -1.53 -3.04 116.57 119.37 1n4c h LYS 136 Ca 0.53 -0.22 -0.25 0.00 -1.27 0.00 0.00 60.65 59.43 1n4c h LYS 136 Cb 0.88 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1n4c h LYS 136 CO -0.29 0.92 -1.21 0.28 -2.27 0.00 0.00 179.45 176.88 1n4c h VAL 137 N 1.02 1.50 -1.03 2.00 2.07 -0.97 -3.27 116.25 117.57 1n4c h VAL 137 Ca 0.23 -3.18 0.30 0.00 0.82 0.00 0.00 66.70 64.87 1n4c h VAL 137 Cb 0.28 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1n4c h VAL 137 CO -0.01 0.89 0.75 0.22 0.02 0.00 0.00 177.57 179.43 1n4c h TYR 138 N 0.03 0.00 0.51 1.57 3.20 -0.29 0.37 116.97 122.35 1n4c h TYR 138 Ca -0.10 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1n4c h TYR 138 Cb 1.88 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.16 1n4c h TYR 138 CO 0.03 0.00 -0.24 0.00 -1.64 0.00 0.00 178.16 176.30 1n4c h ARG 139 N 0.00 -0.65 -0.61 1.82 3.08 -1.60 -2.52 114.38 113.90 1n4c h ARG 139 Ca 0.49 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.60 1n4c h ARG 139 Cb 1.98 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 32.14 1n4c h ARG 139 CO -0.01 -0.40 0.39 0.87 -1.07 0.00 0.00 179.97 179.75 1n4c h LYS 140 N -1.14 0.76 -0.98 0.04 1.57 -1.31 -1.19 116.57 114.32 1n4c h LYS 140 Ca -0.07 -0.05 0.19 0.00 -1.87 0.00 0.00 60.65 58.86 1n4c h LYS 140 Cb 0.56 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 1n4c h LYS 140 CO 0.11 0.50 0.61 0.00 -0.57 0.00 0.00 179.45 180.11 1n4c h ALA 141 N 1.25 1.83 0.00 3.86 0.00 -0.39 0.69 119.26 126.50 1n4c h ALA 141 Ca 0.23 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1n4c h ALA 141 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n4c h ALA 141 CO -0.08 -0.17 -0.49 0.28 0.00 0.00 0.00 179.25 178.80 1n4c h VAL 142 N 0.67 1.34 0.00 0.00 2.07 -0.77 -2.40 116.25 117.16 1n4c h VAL 142 Ca 0.54 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 1n4c h VAL 142 Cb 0.96 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1n4c h VAL 142 CO -0.31 0.48 -0.41 -0.07 0.02 0.00 0.00 177.57 177.28 1n4c h LEU 143 N 0.00 0.00 -1.88 2.57 3.38 0.92 -2.62 115.31 117.67 1n4c h LEU 143 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n4c h LEU 143 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n4c h LEU 143 CO 0.06 0.41 -0.03 0.58 0.09 0.00 0.00 178.44 179.55 1n4c h VAL 144 N 0.00 1.04 -0.18 1.22 2.07 -0.70 -2.60 116.25 117.10 1n4c h VAL 144 Ca -0.00 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1n4c h VAL 144 Cb 0.79 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1n4c h VAL 144 CO 0.05 0.05 -0.17 1.33 0.02 0.00 0.00 177.57 178.86 1n4c n VAL 145 N -4.48 2.30 -1.92 2.57 0.24 -1.01 -4.96 118.33 111.07 1n4c n VAL 145 Ca -0.03 -2.67 -0.42 0.00 -2.04 0.00 0.00 64.34 59.18 1n4c n VAL 145 Cb 0.13 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 1n4c n VAL 145 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n4c s HIS 146 N -3.12 2.92 0.18 6.34 5.04 -0.98 -4.85 115.29 120.81 1n4c s HIS 146 Ca 0.40 0.55 -0.15 0.00 -1.54 0.00 0.00 55.06 54.32 1n4c s HIS 146 Cb 0.36 -3.94 0.16 0.00 0.04 0.00 0.00 32.58 29.20 1n4c s HIS 146 CO -0.00 -3.56 1.23 -2.30 -2.34 0.00 0.00 174.74 167.77 1n4c n PRO 147 N 4.32 -0.21 -0.33 2.88 -0.02 -1.26 -0.08 135.00 140.31 1n4c n PRO 147 Ca 0.14 1.22 0.28 0.00 -2.02 0.00 0.00 63.50 63.12 1n4c n PRO 147 Cb 0.39 -1.80 0.53 0.00 -0.02 0.00 0.00 33.50 32.59 1n4c n PRO 147 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1n4c h ASP 148 N 0.00 0.40 0.72 2.55 1.82 -1.98 2.01 116.42 121.94 1n4c h ASP 148 Ca 0.26 0.23 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1n4c h ASP 148 Cb 0.46 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1n4c h ASP 148 CO -0.78 -0.29 -0.09 0.29 -1.61 0.00 0.00 179.24 176.76 1n4c n LYS 149 N -5.16 0.22 -1.68 0.28 5.02 0.88 -3.53 118.16 114.19 1n4c n LYS 149 Ca 0.35 -0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.52 1n4c n LYS 149 Cb 1.13 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.72 1n4c n LYS 149 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4c n ALA 150 N -1.35 3.92 -2.58 7.82 0.00 0.66 -4.89 120.51 124.09 1n4c n ALA 150 Ca 0.10 -3.31 -0.42 0.00 0.00 0.00 0.00 53.44 49.80 1n4c n ALA 150 Cb 0.30 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 1n4c n ALA 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n4c s THR 151 N -3.55 4.78 -0.60 0.00 2.01 -0.19 -3.98 115.64 114.11 1n4c s THR 151 Ca 0.41 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1n4c s THR 151 Cb 0.38 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1n4c s THR 151 CO -0.03 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1n4c n GLY 152 N 4.59 0.53 3.77 4.40 0.00 -1.26 -4.94 105.19 112.29 1n4c n GLY 152 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1n4c n GLY 152 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4c s GLN 153 N -2.43 4.40 0.38 1.61 -1.52 -1.26 -4.92 119.66 115.92 1n4c s GLN 153 Ca 0.00 0.92 0.31 0.00 -1.95 0.00 0.00 55.36 54.64 1n4c s GLN 153 Cb 0.00 -3.31 1.23 0.00 -0.22 0.00 0.00 33.01 30.71 1n4c s GLN 153 CO 0.00 0.45 1.20 -2.30 -0.25 0.00 0.00 175.29 174.39 1n4c n PRO 154 N 2.29 -0.02 -0.98 2.91 -0.02 -1.26 0.26 135.00 138.18 1n4c n PRO 154 Ca -0.06 0.91 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 1n4c n PRO 154 Cb 0.50 -1.91 0.12 0.00 -0.02 0.00 0.00 33.50 32.18 1n4c n PRO 154 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1n4c n TYR 155 N -3.92 2.37 0.00 6.00 4.11 -1.26 -4.51 117.16 119.94 1n4c n TYR 155 Ca 0.32 -1.79 -0.12 0.00 -0.00 0.00 0.00 57.90 56.31 1n4c n TYR 155 Cb 1.35 -0.90 -0.08 0.00 -0.00 0.00 0.00 39.34 39.72 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1n4c h GLU 156 N 1.02 0.06 -0.42 -3.48 4.81 0.34 -2.88 114.58 114.03 1n4c h GLU 156 Ca 0.48 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1n4c h GLU 156 Cb 2.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 1n4c h GLU 156 CO 0.94 0.27 0.17 1.96 -0.73 0.00 0.00 179.01 181.62 1n4c h GLN 157 N -0.16 0.60 -0.43 1.92 4.20 -1.81 -2.61 115.11 116.82 1n4c h GLN 157 Ca 0.01 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.73 1n4c h GLN 157 Cb 0.24 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 1n4c h GLN 157 CO 0.00 0.50 -0.08 1.88 -0.67 0.00 0.00 178.83 180.46 1n4c h TYR 158 N 0.60 -0.17 -0.18 2.96 -1.99 -1.83 -2.24 116.97 114.12 1n4c h TYR 158 Ca 0.15 0.04 0.05 0.00 2.00 0.00 0.00 58.73 60.96 1n4c h TYR 158 Cb 0.12 0.14 -0.07 0.00 2.00 0.00 0.00 36.73 38.92 1n4c h TYR 158 CO 0.01 -0.16 -0.38 0.00 -0.00 0.00 0.00 178.16 177.62 1n4c h ALA 159 N 1.42 -0.47 -0.48 3.88 0.00 -1.42 0.93 119.26 123.12 1n4c h ALA 159 Ca 0.21 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1n4c h ALA 159 Cb 0.32 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1n4c h ALA 159 CO -0.42 -0.86 0.34 0.87 0.00 0.00 0.00 179.25 179.18 1n4c h LYS 160 N -0.43 0.04 0.08 0.00 1.57 -1.48 0.95 116.57 117.30 1n4c h LYS 160 Ca 0.10 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n4c h LYS 160 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1n4c h LYS 160 CO -0.41 0.03 -0.04 0.52 -0.57 0.00 0.00 179.45 178.98 1n4c h MET 161 N 0.04 -0.10 0.00 3.15 2.86 -0.35 -3.19 114.93 117.34 1n4c h MET 161 Ca 0.23 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1n4c h MET 161 Cb 0.85 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1n4c h MET 161 CO -0.01 0.45 -0.66 0.82 1.06 0.00 0.00 176.91 178.57 1n4c h ILE 162 N -0.82 1.26 -0.19 -1.22 2.04 -0.69 -2.99 117.51 114.90 1n4c h ILE 162 Ca -0.01 -2.45 -0.01 0.00 1.00 0.00 0.00 64.86 63.39 1n4c h ILE 162 Cb 0.60 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1n4c h ILE 162 CO 0.02 0.65 0.09 0.15 0.00 0.00 0.00 178.15 179.05 1n4c h PHE 163 N 0.00 0.29 0.00 1.37 3.04 0.81 -0.57 116.94 121.88 1n4c h PHE 163 Ca -0.01 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1n4c h PHE 163 Cb 1.35 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 1n4c h PHE 163 CO 0.00 0.31 -0.21 0.52 -2.02 0.00 0.00 178.31 176.91 1n4c h MET 164 N 0.18 0.00 0.03 1.11 2.86 -1.64 -3.12 114.93 114.34 1n4c h MET 164 Ca 0.07 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 1n4c h MET 164 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1n4c h MET 164 CO -0.01 0.21 -1.04 0.93 1.06 0.00 0.00 176.91 178.06 1n4c h GLU 165 N 0.00 0.06 -0.30 1.72 5.08 -1.35 -1.15 114.58 118.64 1n4c h GLU 165 Ca -0.00 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1n4c h GLU 165 Cb 1.08 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1n4c h GLU 165 CO 0.03 1.03 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.71 1n4c h LEU 166 N 0.02 0.78 0.00 1.33 -0.00 -1.10 -2.99 115.31 113.35 1n4c h LEU 166 Ca -0.04 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1n4c h LEU 166 Cb 1.78 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.23 1n4c h LEU 166 CO 0.14 1.09 -0.36 -1.13 -0.00 0.00 0.00 178.44 178.18 1n4c h ASN 167 N 0.49 0.00 0.39 -0.43 -0.73 -1.60 -3.19 115.58 110.51 1n4c h ASN 167 Ca 0.05 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1n4c h ASN 167 Cb 0.86 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1n4c h ASN 167 CO 0.07 0.02 -0.19 -0.78 -0.37 0.00 0.00 177.43 176.19 1n4c h ASP 168 N 0.00 -0.44 -0.18 1.15 1.82 -1.13 -3.13 116.42 114.50 1n4c h ASP 168 Ca 0.00 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1n4c h ASP 168 Cb 0.89 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1n4c h ASP 168 CO 0.00 -0.05 0.13 0.00 -1.61 0.00 0.00 179.24 177.72 1n4c h ALA 169 N -1.22 2.13 -0.49 -0.78 0.00 -1.68 0.83 119.26 118.04 1n4c h ALA 169 Ca -0.05 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1n4c h ALA 169 Cb 0.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1n4c h ALA 169 CO 0.09 -0.22 0.34 2.35 0.00 0.00 0.00 179.25 181.80 1n4c h TRP 170 N 0.00 0.24 -0.32 0.00 2.91 -1.53 0.38 115.95 117.63 1n4c h TRP 170 Ca 0.08 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.04 1n4c h TRP 170 Cb 0.35 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 1n4c h TRP 170 CO 0.00 0.12 -0.11 0.77 -1.03 0.00 0.00 178.44 178.19 1n4c h SER 171 N 0.23 0.53 0.35 2.65 0.02 -0.78 -2.54 113.55 114.01 1n4c h SER 171 Ca 0.23 -0.14 -0.31 0.00 -0.84 0.00 0.00 61.79 60.73 1n4c h SER 171 Cb 0.60 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.03 1n4c h SER 171 CO -0.04 0.68 -1.38 -0.33 -1.14 0.00 0.00 176.83 174.61 1n4c h GLU 172 N 0.51 0.48 -0.45 3.45 3.07 -0.50 -3.18 114.58 117.96 1n4c h GLU 172 Ca 0.09 -0.79 0.13 0.00 -0.50 0.00 0.00 59.36 58.30 1n4c h GLU 172 Cb 0.49 0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1n4c h GLU 172 CO 0.03 1.37 0.35 0.35 -1.40 0.00 0.00 179.01 179.71 1n4c h PHE 173 N 0.15 0.00 -0.62 4.33 3.57 -0.26 2.15 116.94 126.25 1n4c h PHE 173 Ca -0.21 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.26 1n4c h PHE 173 Cb 2.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.79 1n4c h PHE 173 CO 0.11 0.00 0.28 0.93 -2.23 0.00 0.00 178.31 177.40 1n4c h GLU 174 N 0.00 0.91 0.06 1.11 4.39 -1.43 2.77 114.58 122.39 1n4c h GLU 174 Ca 0.21 -0.15 -0.32 0.00 0.34 0.00 0.00 59.36 59.45 1n4c h GLU 174 Cb 0.91 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1n4c h GLU 174 CO -0.00 0.75 -1.81 -0.97 -1.16 0.00 0.00 179.01 175.81 1n4c h ASN 175 N 0.86 0.19 0.04 1.42 -0.73 -0.68 -3.28 115.58 113.40 1n4c h ASN 175 Ca 0.21 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1n4c h ASN 175 Cb 0.15 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1n4c h ASN 175 CO -0.02 1.37 -0.19 0.00 -0.37 0.00 0.00 177.43 178.22 1n4c n GLN 176 N -3.25 1.53 -0.08 6.67 1.13 0.70 -4.34 117.38 119.74 1n4c n GLN 176 Ca -0.23 -1.13 -0.09 0.00 -1.94 0.00 0.00 57.00 53.61 1n4c n GLN 176 Cb 1.05 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 29.81 1n4c n GLN 176 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n4c n GLY 177 N 1.33 -0.59 2.15 1.08 0.00 0.93 -4.54 105.19 105.55 1n4c n GLY 177 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1n4c n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4c n GLN 178 N -2.73 0.56 -3.61 1.61 1.13 -1.20 -4.62 117.38 108.53 1n4c n GLN 178 Ca -0.28 -0.22 -0.04 0.00 -1.94 0.00 0.00 57.00 54.52 1n4c n GLN 178 Cb 0.95 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.73 1n4c n GLN 178 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1n4c s LYS 179 N 1.96 0.25 -0.61 -1.09 -2.85 -1.26 -5.08 119.74 111.07 1n4c s LYS 179 Ca 0.15 -0.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.77 1n4c s LYS 179 Cb 0.07 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1n4c s LYS 179 CO 0.00 -0.11 1.57 -1.25 0.10 0.00 0.00 175.35 175.66 1n4c s PRO 180 N -2.19 3.03 -0.86 1.78 0.04 -1.26 -4.93 135.00 130.61 1n4c s PRO 180 Ca 0.09 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1n4c s PRO 180 Cb -0.01 -4.24 0.29 0.00 0.04 0.00 0.00 34.50 30.58 1n4c s PRO 180 CO -0.04 -2.27 1.18 -0.11 0.04 0.00 0.00 177.00 175.80 1n4c n LEU 181 N 10.73 5.31 0.00 -3.56 7.94 -1.26 -5.17 117.00 130.99 1n4c n LEU 181 Ca 0.14 -5.36 0.00 0.00 -1.11 0.00 0.00 56.01 49.67 1n4c n LEU 181 Cb 0.50 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1n4c n LEU 181 CO 0.71 1.93 0.00 0.00 -1.11 0.00 0.00 177.39 178.91