#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4c n PRO 2 N 0.00 2.36 -1.48 1.61 -0.04 -1.26 -4.97 135.00 131.23 1n4c n PRO 2 Ca 0.00 -2.61 -0.29 0.00 -0.04 0.00 0.00 63.50 60.56 1n4c n PRO 2 Cb 0.00 -3.38 0.17 0.00 -0.04 0.00 0.00 33.50 30.25 1n4c n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n4c s LEU 3 N 4.73 1.81 0.00 1.53 1.43 -1.26 -4.46 118.68 122.46 1n4c s LEU 3 Ca 0.57 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1n4c s LEU 3 Cb 0.08 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1n4c s LEU 3 CO 0.06 -2.99 0.00 0.61 0.23 0.00 0.00 176.35 174.26 1n4c n GLY 4 N -2.14 1.99 3.52 -3.19 0.00 -1.26 -4.80 105.19 99.31 1n4c n GLY 4 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1n4c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n4c s SER 5 N -4.00 -0.35 -0.29 1.61 0.15 -1.26 -5.12 113.70 104.44 1n4c s SER 5 Ca 0.00 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.35 1n4c s SER 5 Cb 0.00 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1n4c s SER 5 CO 0.00 -0.62 1.52 -2.16 1.20 0.00 0.00 173.24 173.18 1n4c s PRO 6 N -3.10 3.73 0.00 5.44 0.04 -1.26 -4.66 135.00 135.19 1n4c s PRO 6 Ca 0.05 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1n4c s PRO 6 Cb -0.01 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1n4c s PRO 6 CO -0.08 -1.37 0.00 -1.91 0.04 0.00 0.00 177.00 173.68 1n4c n GLU 7 N 7.74 0.00 0.19 4.56 2.13 -1.26 -4.92 120.64 129.08 1n4c n GLU 7 Ca 0.18 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.13 1n4c n GLU 7 Cb 0.46 0.00 0.41 0.00 0.27 0.00 0.00 31.44 32.58 1n4c n GLU 7 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1n4c h PHE 8 N 0.00 0.00 0.00 4.31 -1.00 -1.98 -3.37 116.94 114.89 1n4c h PHE 8 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1n4c h PHE 8 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1n4c h PHE 8 CO 0.00 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.15 1n4c n SER 9 N -2.75 0.00 -4.81 2.17 2.88 -1.26 -4.63 113.62 105.22 1n4c n SER 9 Ca 0.03 0.42 -0.33 0.00 -1.33 0.00 0.00 58.87 57.66 1n4c n SER 9 Cb 0.40 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 1n4c n SER 9 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1n4c s MET 10 N -0.84 4.01 -0.43 -1.46 -1.94 -1.26 -4.86 119.30 112.51 1n4c s MET 10 Ca 0.00 1.23 -0.38 0.00 -1.71 0.00 0.00 55.69 54.83 1n4c s MET 10 Cb 0.00 -2.14 -0.16 0.00 2.01 0.00 0.00 34.83 34.54 1n4c s MET 10 CO 0.00 -0.24 1.85 -2.30 -0.01 0.00 0.00 175.02 174.32 1n4c n PRO 11 N -0.84 0.00 -0.33 2.03 -0.02 -1.26 -4.70 135.00 129.89 1n4c n PRO 11 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1n4c n PRO 11 Cb 0.53 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1n4c n PRO 11 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1n4c n HIS 12 N 6.45 0.00 -2.73 6.00 1.44 -1.26 -3.78 115.22 121.34 1n4c n HIS 12 Ca 0.47 -0.58 -0.08 0.00 -2.01 0.00 0.00 57.72 55.52 1n4c n HIS 12 Cb -0.03 -0.56 0.07 0.00 0.12 0.00 0.00 29.99 29.58 1n4c n HIS 12 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1n4c n SER 13 N 2.04 -2.47 -2.74 4.39 3.41 -1.26 -5.04 113.62 111.94 1n4c n SER 13 Ca 0.06 -3.21 -0.07 0.00 -0.26 0.00 0.00 58.87 55.39 1n4c n SER 13 Cb 0.32 1.72 0.05 0.00 -0.26 0.00 0.00 64.21 66.04 1n4c n SER 13 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4c n SER 14 N 1.15 -2.77 -3.81 4.04 3.41 -1.25 -5.16 113.62 109.24 1n4c n SER 14 Ca 0.06 -3.12 -0.20 0.00 -0.26 0.00 0.00 58.87 55.36 1n4c n SER 14 Cb 0.67 1.71 0.10 0.00 -0.26 0.00 0.00 64.21 66.43 1n4c n SER 14 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n4c n PRO 15 N 1.71 -1.26 0.00 4.33 -0.02 -1.26 -4.98 135.00 133.52 1n4c n PRO 15 Ca 0.09 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1n4c n PRO 15 Cb 0.63 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1n4c n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n4c n GLN 16 N -0.21 0.00 -0.48 -0.52 10.64 -1.26 -5.14 117.38 120.42 1n4c n GLN 16 Ca 0.02 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.94 1n4c n GLN 16 Cb 0.39 0.00 0.20 0.00 -0.86 0.00 0.00 30.24 29.97 1n4c n GLN 16 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1n4c n ASN 17 N 0.00 -3.06 -4.70 2.61 5.03 -1.26 -4.87 115.26 109.01 1n4c n ASN 17 Ca 0.00 -0.43 -0.35 0.00 0.87 0.00 0.00 54.58 54.66 1n4c n ASN 17 Cb 0.38 -0.90 0.10 0.00 -1.02 0.00 0.00 39.78 38.34 1n4c n ASN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1n4c n ARG 18 N -3.06 0.64 -0.56 3.52 5.12 -1.26 -4.76 116.66 116.30 1n4c n ARG 18 Ca 0.06 0.28 0.43 0.00 -1.93 0.00 0.00 57.85 56.70 1n4c n ARG 18 Cb 0.49 -2.46 0.66 0.00 -1.16 0.00 0.00 32.46 29.99 1n4c n ARG 18 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1n4c n PRO 19 N -2.50 0.00 -3.60 5.56 -0.02 -1.26 -4.57 135.00 128.61 1n4c n PRO 19 Ca 0.15 0.92 -0.06 0.00 -2.02 0.00 0.00 63.50 62.49 1n4c n PRO 19 Cb 0.49 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1n4c n PRO 19 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n4c s ASN 20 N -3.82 -0.25 0.18 2.55 2.20 -1.26 -5.10 114.94 109.44 1n4c s ASN 20 Ca -0.04 -0.13 0.00 0.00 -0.94 0.00 0.00 52.86 51.75 1n4c s ASN 20 Cb 0.22 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.83 1n4c s ASN 20 CO 0.72 -0.62 0.00 0.00 -2.94 0.00 0.00 177.10 174.26 1n4c n TYR 21 N -0.31 -3.20 0.06 1.54 9.36 -1.26 -4.98 117.16 118.36 1n4c n TYR 21 Ca -0.07 0.63 -0.13 0.00 3.32 0.00 0.00 57.90 61.66 1n4c n TYR 21 Cb 0.61 1.85 -0.09 0.00 -0.63 0.00 0.00 39.34 41.08 1n4c n TYR 21 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 1n4c h ASN 22 N 0.00 -0.14 -0.82 2.98 -0.00 -1.99 -3.44 115.58 112.17 1n4c h ASN 22 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 56.30 55.97 1n4c h ASN 22 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1n4c h ASN 22 CO 0.00 0.28 0.00 1.33 -0.00 0.00 0.00 177.43 179.04 1n4c n VAL 23 N -4.97 0.00 0.00 2.57 0.24 -1.26 -5.03 118.33 109.88 1n4c n VAL 23 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1n4c n VAL 23 Cb 0.24 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 1n4c n VAL 23 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1n4c n SER 24 N -1.69 0.00 0.00 -1.34 2.88 -1.26 -5.07 113.62 107.14 1n4c n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n4c n SER 24 Cb 0.00 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1n4c n SER 24 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1n4c n PHE 25 N -1.86 -0.26 -2.53 0.66 7.35 -1.26 -5.03 117.46 114.54 1n4c n PHE 25 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1n4c n PHE 25 Cb 0.00 0.05 -0.02 0.00 0.35 0.00 0.00 39.48 39.86 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 1.45 6.53 0.00 -2.13 1.04 -1.26 -4.73 113.70 114.60 1n4c s SER 26 Ca 0.00 -1.87 0.28 0.00 0.48 0.00 0.00 55.95 54.84 1n4c s SER 26 Cb 0.00 -2.57 1.56 0.00 0.10 0.00 0.00 66.02 65.11 1n4c s SER 26 CO 0.00 -1.48 1.99 -1.54 0.98 0.00 0.00 173.24 173.19 1n4c n SER 27 N 9.12 0.00 -3.54 7.02 3.41 -1.26 -4.81 113.62 123.56 1n4c n SER 27 Ca 0.41 -0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 1n4c n SER 27 Cb 0.48 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1n4c n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4c s MET 28 N -2.21 0.80 -0.05 4.33 0.23 -1.26 -5.08 119.30 116.05 1n4c s MET 28 Ca 0.36 0.04 -0.20 0.00 -1.03 0.00 0.00 55.69 54.86 1n4c s MET 28 Cb 0.19 0.37 -0.15 0.00 -1.53 0.00 0.00 34.83 33.71 1n4c s MET 28 CO 0.36 -0.28 0.84 -1.00 -2.03 0.00 0.00 175.02 172.91 1n4c h PRO 29 N 2.51 -0.24 0.00 3.16 0.13 -1.97 -3.49 132.00 132.11 1n4c h PRO 29 Ca -0.22 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1n4c h PRO 29 Cb 1.18 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n4c h PRO 29 CO 0.33 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 1n4c n GLY 30 N 0.58 1.85 7.00 1.56 0.00 -1.26 -5.13 105.19 109.78 1n4c n GLY 30 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.70 0.00 -0.02 0.00 -1.26 -4.72 105.19 99.89 1n4c n GLY 31 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.04 2.42 -0.25 1.61 6.02 -1.26 -5.00 117.38 120.89 1n4c n GLN 32 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1n4c n GLN 32 Cb 0.00 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.49 1n4c n GLN 32 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1n4c n ASN 33 N 0.00 -3.66 0.00 1.08 4.13 -1.26 -5.00 115.26 110.55 1n4c n ASN 33 Ca 0.00 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.59 1n4c n ASN 33 Cb 0.00 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 1n4c n ASN 33 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1n4c n GLU 34 N -4.35 0.00 0.03 3.52 1.02 -1.26 -5.04 120.64 114.56 1n4c n GLU 34 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1n4c n GLU 34 Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1n4c n GLU 34 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1n4c n ARG 35 N 0.00 0.00 0.00 3.49 0.63 -1.26 -5.11 116.66 114.41 1n4c n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1n4c n ARG 35 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1n4c n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n4c n GLY 36 N -1.47 -1.87 3.69 5.14 0.00 -1.26 -5.10 105.19 104.31 1n4c n GLY 36 Ca 0.00 0.55 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.03 2.25 -0.40 1.61 5.02 -1.26 -4.93 118.16 119.41 1n4c n LYS 37 Ca 0.00 0.80 -0.16 0.00 -2.02 0.00 0.00 58.31 56.93 1n4c n LYS 37 Cb 0.00 -2.53 0.16 0.00 -0.02 0.00 0.00 35.03 32.63 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 2.57 -2.81 -0.11 7.82 0.00 -1.26 -4.96 120.51 121.76 1n4c n ALA 38 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1n4c n ALA 38 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1n4c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 39 N -4.41 0.00 -0.49 0.00 0.00 -1.26 -4.97 120.51 109.39 1n4c n ALA 39 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1n4c n ALA 39 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1n4c n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 40 N 0.00 3.46 -2.74 0.00 0.00 -1.26 -4.15 120.51 115.81 1n4c n ALA 40 Ca 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 53.44 52.07 1n4c n ALA 40 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 19.45 16.72 1n4c n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n4c n ASN 41 N 4.34 -2.76 0.00 0.00 4.13 -1.26 -5.04 115.26 114.67 1n4c n ASN 41 Ca 0.29 -3.41 -0.00 0.00 1.68 0.00 0.00 54.58 53.14 1n4c n ASN 41 Cb 0.11 1.86 -0.00 0.00 -1.54 0.00 0.00 39.78 40.20 1n4c n ASN 41 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1n4c h LEU 42 N 3.74 -0.04 -5.90 3.41 5.85 -2.04 -2.81 115.31 117.52 1n4c h LEU 42 Ca -0.14 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 57.89 1n4c h LEU 42 Cb 1.05 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1n4c h LEU 42 CO 0.28 -0.01 3.16 1.21 -0.34 0.00 0.00 178.44 182.73 1n4c n GLU 43 N -2.57 2.84 -0.25 1.25 2.13 -1.26 -3.73 120.64 119.05 1n4c n GLU 43 Ca -0.00 -2.47 0.00 0.00 0.66 0.00 0.00 57.16 55.35 1n4c n GLU 43 Cb 0.01 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 28.54 1n4c n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n4c n GLY 44 N 4.06 0.97 2.39 8.31 0.00 -1.06 -4.97 105.19 114.89 1n4c n GLY 44 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 1n4c n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4c n LYS 45 N 0.00 0.99 0.00 1.61 5.02 -1.24 -4.27 118.16 120.27 1n4c n LYS 45 Ca 0.00 -0.60 0.16 0.00 -2.02 0.00 0.00 58.31 55.85 1n4c n LYS 45 Cb 0.49 -1.85 0.91 0.00 -0.02 0.00 0.00 35.03 34.56 1n4c n LYS 45 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n4c n GLN 46 N 3.17 0.93 -2.33 1.97 6.02 -1.26 -4.62 117.38 121.26 1n4c n GLN 46 Ca 0.21 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.85 1n4c n GLN 46 Cb 0.31 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 1n4c n GLN 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1n4c s LYS 47 N -2.05 3.11 -0.02 -1.09 3.01 -1.26 -4.76 119.74 116.69 1n4c s LYS 47 Ca 0.45 -0.69 0.04 0.00 -1.01 0.00 0.00 55.97 54.76 1n4c s LYS 47 Cb 0.21 -5.17 0.14 0.00 -1.01 0.00 0.00 37.83 32.00 1n4c s LYS 47 CO 0.37 -2.72 0.99 0.00 0.51 0.00 0.00 175.35 174.50 1n4c n ALA 48 N 11.16 2.58 -1.52 5.17 0.00 -1.26 -4.84 120.51 131.79 1n4c n ALA 48 Ca 0.35 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1n4c n ALA 48 Cb 0.49 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.01 0.70 -1.37 0.00 0.00 -1.26 -4.71 120.51 113.85 1n4c n ALA 49 Ca 0.05 -0.89 -0.53 0.00 0.00 0.00 0.00 53.44 52.08 1n4c n ALA 49 Cb 0.23 -2.73 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 1n4c n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n4c n ASP 50 N 11.61 1.30 -3.43 0.00 8.00 -1.26 -4.68 116.55 128.08 1n4c n ASP 50 Ca 0.58 0.45 -0.36 0.00 0.71 0.00 0.00 54.79 56.17 1n4c n ASP 50 Cb 0.25 -1.08 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1n4c n PHE 51 N 9.20 0.61 0.00 1.24 -0.00 -1.26 -2.19 117.46 125.06 1n4c n PHE 51 Ca 0.50 -0.97 0.00 0.00 -0.00 0.00 0.00 57.45 56.99 1n4c n PHE 51 Cb 0.10 -1.05 0.00 0.00 -0.00 0.00 0.00 39.48 38.53 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 6.96 0.00 -0.62 -4.13 0.00 -1.26 -4.92 120.64 116.67 1n4c n GLU 52 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.52 1n4c n GLU 52 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.71 1n4c n GLU 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1n4c n ASP 53 N -0.23 4.84 0.00 4.31 2.03 -0.93 -3.51 116.55 123.06 1n4c n ASP 53 Ca 0.00 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.99 1n4c n ASP 53 Cb 0.00 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1n4c n ASP 53 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1n4c n LEU 54 N 1.91 0.00 0.14 -2.67 7.94 -1.26 -4.89 117.00 118.16 1n4c n LEU 54 Ca 0.14 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.11 1n4c n LEU 54 Cb 0.59 0.06 0.36 0.00 0.53 0.00 0.00 43.42 44.96 1n4c n LEU 54 CO 0.05 -0.06 0.76 -0.11 -1.11 0.00 0.00 177.39 176.92 1n4c n LEU 55 N -1.34 0.34 -3.07 -1.96 7.94 -1.23 -3.57 117.00 114.12 1n4c n LEU 55 Ca 0.00 0.58 -0.05 0.00 -1.11 0.00 0.00 56.01 55.43 1n4c n LEU 55 Cb 0.00 -0.57 -0.02 0.00 0.53 0.00 0.00 43.42 43.37 1n4c n LEU 55 CO 0.00 -0.69 0.04 -0.44 -1.11 0.00 0.00 177.39 175.19 1n4c s SER 56 N -3.46 -0.95 -0.38 1.96 0.01 -1.26 -5.05 113.70 104.57 1n4c s SER 56 Ca -0.01 -1.42 -0.02 0.00 1.31 0.00 0.00 55.95 55.80 1n4c s SER 56 Cb 0.04 1.60 0.23 0.00 0.21 0.00 0.00 66.02 68.10 1n4c s SER 56 CO 0.12 -0.13 1.07 0.61 0.41 0.00 0.00 173.24 175.32 1n4c n GLY 57 N 3.71 -1.38 3.52 3.44 0.00 -1.23 -4.97 105.19 108.27 1n4c n GLY 57 Ca 0.15 0.97 -0.33 0.00 0.00 0.00 0.00 46.02 46.82 1n4c n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4c n GLN 58 N 2.21 0.35 -2.42 1.61 3.00 -1.26 -3.67 117.38 117.20 1n4c n GLN 58 Ca 0.09 -0.11 -0.01 0.00 -0.01 0.00 0.00 57.00 56.96 1n4c n GLN 58 Cb 0.65 -2.22 -0.01 0.00 0.00 0.00 0.00 30.24 28.66 1n4c n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n4c n GLY 59 N 6.22 -5.05 0.27 1.08 0.00 -1.26 -4.72 105.19 101.72 1n4c n GLY 59 Ca 0.56 0.52 0.00 0.00 0.00 0.00 0.00 46.02 47.10 1n4c n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n4c n PHE 60 N 1.86 0.00 -3.26 1.61 7.35 -1.24 -4.83 117.46 118.95 1n4c n PHE 60 Ca -0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.55 1n4c n PHE 60 Cb 0.17 -0.05 0.01 0.00 0.35 0.00 0.00 39.48 39.95 1n4c n PHE 60 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1n4c n ASN 61 N -0.23 -0.76 -2.87 -2.13 0.23 -1.26 -5.14 115.26 103.10 1n4c n ASN 61 Ca 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1n4c n ASN 61 Cb 0.13 1.26 0.01 0.00 -2.08 0.00 0.00 39.78 39.10 1n4c n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n4c s ALA 62 N -1.36 -3.67 -1.61 -2.53 0.00 -1.26 -5.04 121.76 106.29 1n4c s ALA 62 Ca 0.05 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 1n4c s ALA 62 Cb -0.02 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1n4c s ALA 62 CO 0.04 -2.40 2.94 0.72 0.00 0.00 0.00 175.76 177.05 1n4c n HIS 63 N 3.65 2.40 -3.28 0.00 8.25 -1.26 -4.66 115.22 120.33 1n4c n HIS 63 Ca 0.09 -3.07 -0.07 0.00 -0.26 0.00 0.00 57.72 54.41 1n4c n HIS 63 Cb 0.61 -2.48 -0.05 0.00 1.12 0.00 0.00 29.99 29.20 1n4c n HIS 63 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1n4c s LYS 64 N 2.22 0.51 -0.49 -0.41 1.02 -1.26 -5.05 119.74 116.28 1n4c s LYS 64 Ca 0.69 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.72 1n4c s LYS 64 Cb 0.18 -0.25 0.24 0.00 -0.52 0.00 0.00 37.83 37.47 1n4c s LYS 64 CO -0.06 -1.08 0.89 -0.25 -0.92 0.00 0.00 175.35 173.93 1n4c n ASP 65 N 5.08 -2.89 -3.00 2.83 9.92 -1.26 -5.08 116.55 122.15 1n4c n ASP 65 Ca 0.04 -3.30 0.03 0.00 -0.53 0.00 0.00 54.79 51.02 1n4c n ASP 65 Cb 0.50 1.83 0.00 0.00 -0.64 0.00 0.00 41.12 42.81 1n4c n ASP 65 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1n4c s LYS 66 N 0.69 0.37 -0.40 -1.24 2.20 -1.26 -5.10 119.74 115.00 1n4c s LYS 66 Ca 0.32 -0.00 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1n4c s LYS 66 Cb 0.23 0.07 0.20 0.00 -1.51 0.00 0.00 37.83 36.83 1n4c s LYS 66 CO -0.25 -0.57 0.95 -1.59 -0.36 0.00 0.00 175.35 173.53 1n4c s LYS 67 N 2.24 0.52 0.00 4.03 -2.85 -1.26 -5.16 119.74 117.26 1n4c s LYS 67 Ca 0.17 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1n4c s LYS 67 Cb -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1n4c s LYS 67 CO -0.16 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.05 1n4c n GLY 68 N 2.94 2.53 0.23 0.59 0.00 -1.26 -5.17 105.19 105.05 1n4c n GLY 68 Ca 0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 1n4c n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n4c n PRO 69 N 0.00 0.06 -2.95 1.61 -0.02 -1.26 -5.01 135.00 127.44 1n4c n PRO 69 Ca 0.00 -0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.28 1n4c n PRO 69 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 1n4c n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n4c n ARG 70 N -0.93 0.79 -2.97 -0.52 1.74 -1.26 -5.05 116.66 108.46 1n4c n ARG 70 Ca 0.00 -2.43 -0.28 0.00 -0.77 0.00 0.00 57.85 54.37 1n4c n ARG 70 Cb 0.02 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.28 4.94 -1.19 0.55 -4.23 -1.26 -4.90 115.64 109.27 1n4c s THR 71 Ca 0.33 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1n4c s THR 71 Cb 0.22 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1n4c s THR 71 CO -0.17 -0.60 0.55 0.00 -0.54 0.00 0.00 174.62 173.85 1n4c n ILE 72 N -1.65 0.53 0.66 2.99 3.06 -1.26 -0.44 119.36 123.24 1n4c n ILE 72 Ca -0.00 0.18 0.12 0.00 -2.50 0.00 0.00 62.75 60.55 1n4c n ILE 72 Cb 0.55 -1.18 0.22 0.00 0.54 0.00 0.00 39.64 39.76 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n4c n ALA 73 N -1.05 2.96 0.27 1.51 0.00 -1.26 -3.78 120.51 119.16 1n4c n ALA 73 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 53.44 53.36 1n4c n ALA 73 Cb 0.05 -1.19 0.67 0.00 0.00 0.00 0.00 19.45 18.97 1n4c n ALA 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n4c h GLU 74 N 0.00 0.00 0.00 0.00 4.81 -1.12 -1.30 114.58 116.97 1n4c h GLU 74 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n4c h GLU 74 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1n4c h GLU 74 CO 0.00 0.04 -0.10 0.52 -0.73 0.00 0.00 179.01 178.74 1n4c h MET 75 N 0.00 0.00 0.00 1.92 2.86 -1.76 -3.31 114.93 114.64 1n4c h MET 75 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n4c h MET 75 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1n4c h MET 75 CO 0.01 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.52 1n4c n ARG 76 N -3.86 0.13 0.29 1.72 1.74 -1.24 -3.07 116.66 112.38 1n4c n ARG 76 Ca -0.01 0.17 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 1n4c n ARG 76 Cb 0.05 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.41 1n4c n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1n4c h LYS 77 N 0.00 0.00 0.70 5.56 3.64 -1.32 0.89 116.57 126.03 1n4c h LYS 77 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1n4c h LYS 77 Cb 0.05 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1n4c h LYS 77 CO 0.00 0.00 -0.33 1.49 -2.27 0.00 0.00 179.45 178.34 1n4c h GLU 78 N 0.00 -0.90 0.19 1.90 4.57 -1.82 -1.87 114.58 116.65 1n4c h GLU 78 Ca 0.00 0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 57.91 1n4c h GLU 78 Cb 1.13 0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1n4c h GLU 78 CO 0.00 -0.60 -1.60 1.05 -1.18 0.00 0.00 179.01 176.68 1n4c h GLU 79 N -1.07 0.39 -1.00 1.92 4.11 -1.55 -3.33 114.58 114.05 1n4c h GLU 79 Ca -0.10 -0.67 0.13 0.00 0.07 0.00 0.00 59.36 58.79 1n4c h GLU 79 Cb 0.72 0.25 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1n4c h GLU 79 CO 0.16 1.32 0.62 0.52 0.07 0.00 0.00 179.01 181.70 1n4c h MET 80 N 0.02 0.92 0.00 1.06 2.86 -1.01 0.86 114.93 119.64 1n4c h MET 80 Ca -0.31 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1n4c h MET 80 Cb 2.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.49 1n4c h MET 80 CO 0.18 0.61 0.00 0.00 1.06 0.00 0.00 176.91 178.75 1n4c n ALA 81 N -2.35 1.59 -0.39 6.32 0.00 -0.70 -1.57 120.51 123.41 1n4c n ALA 81 Ca 0.20 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1n4c n ALA 81 Cb 0.40 -1.20 0.25 0.00 0.00 0.00 0.00 19.45 18.90 1n4c n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n4c n LYS 82 N -1.45 3.00 -2.67 0.00 5.02 0.30 -4.65 118.16 117.71 1n4c n LYS 82 Ca 0.04 -2.46 -0.05 0.00 -2.02 0.00 0.00 58.31 53.82 1n4c n LYS 82 Cb 0.13 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1n4c n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1n4c n GLU 83 N 0.85 0.58 -3.91 1.97 4.07 -0.61 -5.08 120.64 118.51 1n4c n GLU 83 Ca 0.19 -1.13 -0.30 0.00 -0.06 0.00 0.00 57.16 55.85 1n4c n GLU 83 Cb 0.61 -0.02 -0.14 0.00 -0.06 0.00 0.00 31.44 31.83 1n4c n GLU 83 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1n4c s MET 84 N 0.10 1.75 0.31 5.31 1.75 -1.00 -4.93 119.30 122.59 1n4c s MET 84 Ca 0.11 -2.37 -0.26 0.00 -1.25 0.00 0.00 55.69 51.92 1n4c s MET 84 Cb 0.19 -3.10 -0.15 0.00 2.84 0.00 0.00 34.83 34.62 1n4c s MET 84 CO -0.04 -1.09 0.62 -3.47 -0.65 0.00 0.00 175.02 170.39 1n4c n ASP 85 N 3.40 -0.57 0.00 1.11 2.03 -1.26 -4.52 116.55 116.74 1n4c n ASP 85 Ca 0.05 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1n4c n ASP 85 Cb 0.34 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1n4c n ASP 85 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1n4c n PRO 86 N 0.82 0.00 -0.09 -0.67 -0.04 -1.26 -1.77 135.00 131.99 1n4c n PRO 86 Ca 0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 1n4c n PRO 86 Cb 0.33 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1n4c n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n4c n GLU 87 N -0.74 0.63 0.09 0.54 -0.58 -1.26 -4.04 120.64 115.28 1n4c n GLU 87 Ca 0.00 0.39 -0.05 0.00 -0.42 0.00 0.00 57.16 57.08 1n4c n GLU 87 Cb 0.00 -1.66 0.01 0.00 -0.57 0.00 0.00 31.44 29.21 1n4c n GLU 87 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1n4c h LYS 88 N -0.62 0.01 -0.57 3.49 1.57 -1.66 -3.08 116.57 115.70 1n4c h LYS 88 Ca -0.46 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1n4c h LYS 88 Cb 1.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 1n4c h LYS 88 CO -0.17 0.84 0.39 1.25 -0.57 0.00 0.00 179.45 181.19 1n4c h LEU 89 N 0.00 0.26 -1.13 2.94 5.85 -1.63 0.82 115.31 122.42 1n4c h LEU 89 Ca -0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1n4c h LEU 89 Cb 1.48 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1n4c h LEU 89 CO 0.11 0.15 -0.06 0.50 -0.34 0.00 0.00 178.44 178.80 1n4c h LYS 90 N 0.28 0.54 -0.53 1.25 1.63 -1.68 -2.74 116.57 115.33 1n4c h LYS 90 Ca 0.27 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1n4c h LYS 90 Cb 0.68 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 1n4c h LYS 90 CO -0.06 0.61 0.33 0.82 -3.45 0.00 0.00 179.45 177.70 1n4c h ILE 91 N 0.51 1.08 -1.00 2.00 2.04 -0.96 -1.36 117.51 119.83 1n4c h ILE 91 Ca 0.10 -0.23 0.24 0.00 1.00 0.00 0.00 64.86 65.98 1n4c h ILE 91 Cb 0.42 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 1n4c h ILE 91 CO 0.02 0.12 0.65 -0.07 0.00 0.00 0.00 178.15 178.87 1n4c h LEU 92 N 0.66 0.43 -0.45 1.44 3.38 -1.45 0.46 115.31 119.79 1n4c h LEU 92 Ca 0.21 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1n4c h LEU 92 Cb -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1n4c h LEU 92 CO -0.08 0.12 -0.66 -0.33 0.09 0.00 0.00 178.44 177.58 1n4c h GLU 93 N 0.40 0.00 -0.16 1.13 4.39 -1.32 -2.66 114.58 116.37 1n4c h GLU 93 Ca 0.55 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 60.07 1n4c h GLU 93 Cb 1.39 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.05 1n4c h GLU 93 CO -0.24 0.66 -0.60 2.35 -1.16 0.00 0.00 179.01 180.02 1n4c h TRP 94 N 0.00 0.91 -0.09 4.33 7.01 0.32 -3.10 115.95 125.34 1n4c h TRP 94 Ca -0.01 -0.38 -0.13 0.00 2.11 0.00 0.00 58.89 60.48 1n4c h TRP 94 Cb 1.30 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 28.22 1n4c h TRP 94 CO 0.00 1.19 -0.45 -0.84 -2.79 0.00 0.00 178.44 175.55 1n4c h ILE 95 N 0.38 1.39 0.00 2.65 3.07 -1.27 -3.05 117.51 120.67 1n4c h ILE 95 Ca -0.03 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.58 1n4c h ILE 95 Cb 1.23 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 1n4c h ILE 95 CO 0.13 0.53 0.00 -1.84 -1.05 0.00 0.00 178.15 175.92 1n4c n GLU 96 N -4.29 0.05 0.10 0.16 -0.00 -1.00 -2.01 120.64 113.64 1n4c n GLU 96 Ca -0.08 0.29 -0.23 0.00 -0.00 0.00 0.00 57.16 57.15 1n4c n GLU 96 Cb 0.57 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 30.38 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1n4c h GLY 97 N 1.23 0.71 -5.00 -1.84 0.00 -1.45 -3.44 103.07 93.28 1n4c h GLY 97 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 47.33 45.72 1n4c h GLY 97 CO 0.00 1.31 -0.22 0.58 0.00 0.00 0.00 176.54 178.21 1n4c n LYS 98 N -3.79 0.37 0.00 4.80 2.85 -0.88 -4.99 118.16 116.52 1n4c n LYS 98 Ca -0.14 -1.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.01 1n4c n LYS 98 Cb 1.00 -0.69 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 1.68 0.77 -1.30 -1.58 0.28 -0.85 -2.83 120.64 116.81 1n4c n GLU 99 Ca 0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.08 1n4c n GLU 99 Cb 0.67 -1.23 0.01 0.00 1.43 0.00 0.00 31.44 32.33 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 0.41 0.00 -3.16 3.44 0.00 -1.26 -4.72 116.66 111.36 1n4c n ARG 100 Ca 0.00 -1.78 -0.20 0.00 -0.00 0.00 0.00 57.85 55.87 1n4c n ARG 100 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 32.46 32.65 1n4c n ARG 100 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1n4c n ASN 101 N 0.39 1.30 -0.39 6.15 2.85 -1.13 -4.92 115.26 119.52 1n4c n ASN 101 Ca 0.04 -3.08 0.31 0.00 -0.11 0.00 0.00 54.58 51.73 1n4c n ASN 101 Cb 1.05 -0.61 0.58 0.00 1.24 0.00 0.00 39.78 42.04 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 1.36 0.28 -0.69 -1.44 -0.00 -1.85 0.77 117.51 115.93 1n4c h ILE 102 Ca 0.10 -0.07 -0.01 0.00 -0.00 0.00 0.00 64.86 64.88 1n4c h ILE 102 Cb 0.90 0.05 -0.03 0.00 -0.00 0.00 0.00 36.82 37.73 1n4c h ILE 102 CO 0.54 0.04 0.41 0.08 -0.00 0.00 0.00 178.15 179.22 1n4c h ARG 103 N 0.21 0.94 0.17 2.19 0.11 -1.97 -2.42 114.38 113.61 1n4c h ARG 103 Ca 0.73 -0.08 -0.25 0.00 0.10 0.00 0.00 59.98 60.47 1n4c h ARG 103 Cb 2.10 -0.20 0.02 0.00 1.11 0.00 0.00 29.97 33.01 1n4c h ARG 103 CO -0.39 0.66 -1.15 0.00 0.10 0.00 0.00 179.97 179.19 1n4c h ALA 104 N 1.50 -0.05 -0.65 0.08 0.00 0.07 -3.03 119.26 117.18 1n4c h ALA 104 Ca 0.25 -0.84 0.12 0.00 0.00 0.00 0.00 54.91 54.44 1n4c h ALA 104 Cb -0.03 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1n4c h ALA 104 CO -0.05 0.58 0.21 -0.07 0.00 0.00 0.00 179.25 179.92 1n4c h LEU 105 N -0.20 0.16 -0.79 0.00 3.38 -0.86 0.68 115.31 117.68 1n4c h LEU 105 Ca -0.21 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1n4c h LEU 105 Cb 1.83 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 1n4c h LEU 105 CO 0.17 0.08 -0.07 0.17 0.09 0.00 0.00 178.44 178.88 1n4c h LEU 106 N 0.37 0.00 -1.78 1.67 8.10 -1.56 -0.65 115.31 121.46 1n4c h LEU 106 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.33 1n4c h LEU 106 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1n4c h LEU 106 CO -0.37 0.07 0.00 -0.24 -4.11 0.00 0.00 178.44 173.79 1n4c n SER 107 N -3.15 2.71 0.00 0.17 2.88 0.69 -4.09 113.62 112.83 1n4c n SER 107 Ca 0.02 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1n4c n SER 107 Cb 0.43 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 1.05 0.29 0.21 2.46 -2.24 0.20 -4.58 114.28 111.67 1n4c n THR 108 Ca 0.17 -0.33 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1n4c n THR 108 Cb 0.52 1.00 0.37 0.00 -2.10 0.00 0.00 70.33 70.12 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 0.00 0.00 -0.78 -1.53 -1.27 -3.13 114.93 108.22 1n4c h MET 109 Ca 0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1n4c h MET 109 Cb 0.70 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.75 1n4c h MET 109 CO 0.00 0.25 -0.01 1.12 0.14 0.00 0.00 176.91 178.41 1n4c h HIS 110 N 0.00 0.00 0.00 1.39 2.07 -1.86 -0.51 115.15 116.25 1n4c h HIS 110 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1n4c h HIS 110 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 1n4c h HIS 110 CO 0.00 0.01 0.00 0.25 -3.07 0.00 0.00 177.93 175.12 1n4c n THR 111 N -4.03 0.00 -2.38 6.12 -2.24 -1.18 -3.53 114.28 107.04 1n4c n THR 111 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1n4c n THR 111 Cb 0.09 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.73 0.04 -2.55 2.28 0.24 -0.20 -5.05 118.33 112.36 1n4c n VAL 112 Ca 0.09 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.35 1n4c n VAL 112 Cb 0.04 0.88 0.12 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.17 2.93 0.28 1.34 1.43 -1.19 -4.96 118.68 118.35 1n4c s LEU 113 Ca 0.25 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 1n4c s LEU 113 Cb 0.29 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 1n4c s LEU 113 CO -0.12 -2.00 0.71 -1.66 0.23 0.00 0.00 176.35 173.51 1n4c s TRP 114 N -3.23 3.46 -0.22 0.29 -2.14 -1.26 -4.98 118.94 110.87 1n4c s TRP 114 Ca 0.68 1.23 -0.29 0.00 2.66 0.00 0.00 56.10 60.38 1n4c s TRP 114 Cb -0.05 -2.53 -0.04 0.00 -3.10 0.00 0.00 33.47 27.75 1n4c s TRP 114 CO 0.45 0.18 1.91 0.00 -2.66 0.00 0.00 176.95 176.83 1n4c s ALA 115 N -1.83 3.03 0.00 2.67 0.00 -1.26 -3.22 121.76 121.15 1n4c s ALA 115 Ca 0.50 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1n4c s ALA 115 Cb -0.12 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1n4c s ALA 115 CO 0.19 -2.36 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1n4c n GLY 116 N 5.21 3.01 3.61 0.00 0.00 -1.26 -5.09 105.19 110.67 1n4c n GLY 116 Ca 0.24 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 2.20 -0.05 1.61 4.07 -1.20 -4.78 120.64 122.50 1n4c n GLU 117 Ca 0.00 0.69 0.03 0.00 -0.06 0.00 0.00 57.16 57.83 1n4c n GLU 117 Cb 0.00 -3.09 0.05 0.00 -0.06 0.00 0.00 31.44 28.34 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 6.89 1.19 -0.05 6.31 -2.24 -1.26 -4.65 114.28 120.46 1n4c n THR 118 Ca 0.27 -1.31 0.01 0.00 -2.27 0.00 0.00 64.05 60.75 1n4c n THR 118 Cb 0.41 0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.76 0.74 -1.73 -0.78 4.76 -1.26 -4.94 118.16 114.19 1n4c n LYS 119 Ca 0.05 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 1n4c n LYS 119 Cb 0.42 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.98 2.60 -0.54 2.13 -0.11 -1.26 -4.95 118.94 113.83 1n4c s TRP 120 Ca -0.08 0.20 -0.08 0.00 1.22 0.00 0.00 56.10 57.36 1n4c s TRP 120 Cb 0.10 -4.15 0.14 0.00 -1.50 0.00 0.00 33.47 28.06 1n4c s TRP 120 CO 0.82 -4.52 0.40 0.15 -4.62 0.00 0.00 176.95 169.18 1n4c s LYS 121 N 1.82 2.57 0.15 5.86 1.02 -1.26 -5.06 119.74 124.84 1n4c s LYS 121 Ca 0.77 -2.03 -0.23 0.00 0.02 0.00 0.00 55.97 54.50 1n4c s LYS 121 Cb -0.48 -3.90 -0.14 0.00 -0.52 0.00 0.00 37.83 32.79 1n4c s LYS 121 CO 0.34 -1.19 0.45 -2.30 -0.92 0.00 0.00 175.35 171.73 1n4c n PRO 122 N 4.44 0.00 -3.15 -1.68 -0.02 -1.26 -4.88 135.00 128.46 1n4c n PRO 122 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.07 1n4c n PRO 122 Cb 0.41 -0.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.76 5.05 -0.07 -1.45 1.01 -1.26 -5.01 120.40 117.90 1n4c s VAL 123 Ca 0.54 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 1n4c s VAL 123 Cb -0.78 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 1n4c s VAL 123 CO 0.46 0.15 1.61 -0.83 0.00 0.00 0.00 175.10 176.49 1n4c s GLY 124 N 1.10 1.53 0.65 4.51 0.00 -1.26 -4.80 107.32 109.05 1n4c s GLY 124 Ca 0.29 0.86 0.09 0.00 0.00 0.00 0.00 44.72 45.96 1n4c s GLY 124 CO 0.11 2.98 1.16 -0.33 0.00 0.00 0.00 173.10 177.02 1n4c h MET 125 N 9.45 0.00 0.00 2.90 2.86 -1.95 2.73 114.93 130.91 1n4c h MET 125 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1n4c h MET 125 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1n4c h MET 125 CO 0.96 0.00 -0.09 0.00 1.06 0.00 0.00 176.91 178.84 1n4c n ALA 126 N -1.71 2.45 -0.34 6.32 0.00 -1.26 -3.58 120.51 122.38 1n4c n ALA 126 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1n4c n ALA 126 Cb 1.06 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.87 3.49 -1.92 0.00 8.00 0.91 -4.05 116.55 121.12 1n4c n ASP 127 Ca 0.06 -2.95 0.01 0.00 0.71 0.00 0.00 54.79 52.62 1n4c n ASP 127 Cb 0.39 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.44 0.80 -0.02 0.64 -0.00 -1.23 -4.62 117.00 112.12 1n4c n LEU 128 Ca 0.35 -2.38 0.15 0.00 -0.00 0.00 0.00 56.01 54.13 1n4c n LEU 128 Cb 1.19 0.15 0.81 0.00 -0.00 0.00 0.00 43.42 45.57 1n4c n LEU 128 CO 0.36 0.85 1.04 1.33 -0.00 0.00 0.00 177.39 180.96 1n4c n VAL 129 N -0.01 0.00 -4.01 1.47 0.24 -1.26 -4.78 118.33 109.98 1n4c n VAL 129 Ca 0.01 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1n4c n VAL 129 Cb 0.98 -0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.35 0.27 0.31 3.34 -4.23 -1.26 -4.85 115.64 106.87 1n4c s THR 130 Ca 0.36 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1n4c s THR 130 Cb 0.21 -0.38 0.19 0.00 1.34 0.00 0.00 72.50 73.86 1n4c s THR 130 CO 0.43 -0.42 1.89 1.55 -0.54 0.00 0.00 174.62 177.53 1n4c h PRO 131 N 4.68 0.78 -0.36 3.99 0.13 -1.94 -1.78 132.00 137.50 1n4c h PRO 131 Ca -0.33 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1n4c h PRO 131 Cb 1.21 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1n4c h PRO 131 CO 0.41 0.65 0.24 1.49 -0.23 0.00 0.00 178.00 180.56 1n4c h GLU 132 N 0.77 0.38 -0.08 0.86 4.57 -1.98 0.77 114.58 119.86 1n4c h GLU 132 Ca 0.18 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.18 1n4c h GLU 132 Cb 0.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1n4c h GLU 132 CO -0.02 0.25 -0.66 1.96 -1.18 0.00 0.00 179.01 179.36 1n4c h GLN 133 N 0.39 0.33 0.00 1.92 1.08 -1.65 -2.44 115.11 114.74 1n4c h GLN 133 Ca 0.14 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1n4c h GLN 133 Cb 0.10 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1n4c h GLN 133 CO -0.03 0.88 -0.00 0.28 -0.95 0.00 0.00 178.83 179.00 1n4c h VAL 134 N 0.24 1.69 -0.77 -0.54 2.07 -0.64 -3.19 116.25 115.11 1n4c h VAL 134 Ca -0.02 -2.14 0.08 0.00 0.82 0.00 0.00 66.70 65.44 1n4c h VAL 134 Cb 1.21 3.13 -0.05 0.00 -1.52 0.00 0.00 31.29 34.05 1n4c h VAL 134 CO 0.11 0.55 0.50 0.50 0.02 0.00 0.00 177.57 179.25 1n4c h LYS 135 N -0.93 0.72 -0.49 1.57 3.11 0.37 0.80 116.57 121.72 1n4c h LYS 135 Ca -0.00 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1n4c h LYS 135 Cb 0.90 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 1n4c h LYS 135 CO 0.00 0.48 -0.03 -0.22 -2.81 0.00 0.00 179.45 176.86 1n4c h LYS 136 N 0.74 0.84 0.09 1.90 3.64 -1.53 -3.07 116.57 119.19 1n4c h LYS 136 Ca 0.34 -0.25 -0.27 0.00 -1.27 0.00 0.00 60.65 59.21 1n4c h LYS 136 Cb 0.37 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1n4c h LYS 136 CO -0.13 0.87 -1.27 0.28 -2.27 0.00 0.00 179.45 176.93 1n4c h VAL 137 N 0.77 1.45 -0.83 2.00 2.07 -1.25 -3.24 116.25 117.23 1n4c h VAL 137 Ca 0.14 -3.08 0.24 0.00 0.82 0.00 0.00 66.70 64.83 1n4c h VAL 137 Cb 0.52 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1n4c h VAL 137 CO 0.03 0.88 0.63 0.22 0.02 0.00 0.00 177.57 179.34 1n4c h TYR 138 N 0.05 0.00 -0.16 1.57 3.20 -0.79 0.14 116.97 120.98 1n4c h TYR 138 Ca -0.14 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1n4c h TYR 138 Cb 1.94 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.20 1n4c h TYR 138 CO 0.05 0.00 -0.10 -0.09 -1.64 0.00 0.00 178.16 176.37 1n4c h ARG 139 N 0.00 0.35 -0.19 1.82 2.43 -1.57 -2.82 114.38 114.40 1n4c h ARG 139 Ca 0.39 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 1n4c h ARG 139 Cb 1.64 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1n4c h ARG 139 CO -0.00 0.69 -0.51 -0.22 -1.51 0.00 0.00 179.97 178.42 1n4c h LYS 140 N 0.01 0.68 -0.91 0.20 3.64 -0.98 -2.93 116.57 116.28 1n4c h LYS 140 Ca 0.03 -0.48 0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1n4c h LYS 140 Cb 0.60 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 1n4c h LYS 140 CO 0.03 1.10 0.60 0.00 -2.27 0.00 0.00 179.45 178.91 1n4c h ALA 141 N 0.58 2.22 0.00 5.00 0.00 -0.94 0.78 119.26 126.90 1n4c h ALA 141 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1n4c h ALA 141 Cb 1.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1n4c h ALA 141 CO 0.11 -0.51 -0.57 0.28 0.00 0.00 0.00 179.25 178.55 1n4c h VAL 142 N 0.40 1.39 0.00 0.00 2.07 -1.32 -2.70 116.25 116.08 1n4c h VAL 142 Ca 0.48 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 1n4c h VAL 142 Cb 1.20 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1n4c h VAL 142 CO -0.18 0.56 -0.38 -0.07 0.02 0.00 0.00 177.57 177.53 1n4c h LEU 143 N 0.00 0.00 -1.71 2.57 3.38 0.71 -2.23 115.31 118.03 1n4c h LEU 143 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1n4c h LEU 143 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1n4c h LEU 143 CO 0.07 0.38 -0.16 0.58 0.09 0.00 0.00 178.44 179.41 1n4c h VAL 144 N 0.00 1.07 -0.06 1.22 2.07 -1.02 -2.86 116.25 116.66 1n4c h VAL 144 Ca -0.00 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1n4c h VAL 144 Cb 0.71 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1n4c h VAL 144 CO 0.05 0.15 -0.41 1.33 0.02 0.00 0.00 177.57 178.72 1n4c n VAL 145 N -4.29 2.26 -1.82 2.57 0.24 -0.95 -4.96 118.33 111.37 1n4c n VAL 145 Ca -0.02 -3.12 -0.42 0.00 -2.04 0.00 0.00 64.34 58.73 1n4c n VAL 145 Cb 0.23 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 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 -3.23 2.94 0.15 6.34 5.04 -0.88 -4.81 115.29 120.85 1n4c s HIS 146 Ca 0.39 0.45 -0.18 0.00 -1.54 0.00 0.00 55.06 54.19 1n4c s HIS 146 Cb 0.37 -4.05 0.07 0.00 0.04 0.00 0.00 32.58 29.02 1n4c s HIS 146 CO -0.05 -3.94 1.15 -2.30 -2.34 0.00 0.00 174.74 167.26 1n4c n PRO 147 N 4.06 -0.25 -0.33 2.88 -0.02 -1.26 0.15 135.00 140.23 1n4c n PRO 147 Ca 0.15 1.14 0.28 0.00 -2.02 0.00 0.00 63.50 63.05 1n4c n PRO 147 Cb 0.37 -1.68 0.53 0.00 -0.02 0.00 0.00 33.50 32.70 1n4c n PRO 147 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n4c h ASP 148 N 0.00 0.42 1.01 2.55 5.19 -1.98 1.91 116.42 125.53 1n4c h ASP 148 Ca 0.19 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1n4c h ASP 148 Cb 0.38 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1n4c h ASP 148 CO -0.72 -0.27 -0.05 0.29 -3.12 0.00 0.00 179.24 175.37 1n4c n LYS 149 N -5.12 0.03 -1.78 3.56 5.02 0.12 -3.51 118.16 116.48 1n4c n LYS 149 Ca 0.35 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1n4c n LYS 149 Cb 1.14 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 34.68 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 -1.54 4.00 -2.55 7.82 0.00 0.63 -4.88 120.51 123.99 1n4c n ALA 150 Ca 0.07 -3.35 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 1n4c n ALA 150 Cb 0.35 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.70 4.93 -1.08 0.00 2.01 0.03 -4.21 115.64 113.62 1n4c s THR 151 Ca 0.42 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1n4c s THR 151 Cb 0.38 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1n4c s THR 151 CO -0.02 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 1n4c n GLY 152 N 4.81 0.01 3.88 4.40 0.00 -1.26 -4.93 105.19 112.10 1n4c n GLY 152 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.39 3.65 0.39 1.61 -1.52 -1.26 -4.92 119.66 113.22 1n4c s GLN 153 Ca 0.00 0.00 0.31 0.00 -1.95 0.00 0.00 55.36 53.73 1n4c s GLN 153 Cb 0.00 -2.97 1.28 0.00 -0.22 0.00 0.00 33.01 31.09 1n4c s GLN 153 CO 0.00 0.56 1.26 -2.30 -0.25 0.00 0.00 175.29 174.56 1n4c n PRO 154 N 0.69 -0.02 -0.97 2.91 -0.02 -1.26 0.28 135.00 136.61 1n4c n PRO 154 Ca -0.07 0.96 -0.08 0.00 -2.02 0.00 0.00 63.50 62.30 1n4c n PRO 154 Cb 0.52 -2.01 0.26 0.00 -0.02 0.00 0.00 33.50 32.26 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 -4.04 2.22 0.25 6.00 0.18 -1.26 -4.57 117.16 115.94 1n4c n TYR 155 Ca 0.34 -1.36 0.16 0.00 1.88 0.00 0.00 57.90 58.92 1n4c n TYR 155 Cb 1.40 -0.67 0.88 0.00 -0.38 0.00 0.00 39.34 40.56 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1n4c h GLU 156 N 1.99 0.00 0.02 -3.48 4.81 0.38 -1.91 114.58 116.38 1n4c h GLU 156 Ca 0.31 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.33 1n4c h GLU 156 Cb 2.26 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.65 1n4c h GLU 156 CO 0.71 0.00 -0.84 1.96 -0.73 0.00 0.00 179.01 180.11 1n4c h GLN 157 N 0.00 0.54 -0.62 1.92 1.08 -1.80 -3.29 115.11 112.94 1n4c h GLN 157 Ca 0.04 -0.60 0.13 0.00 -1.45 0.00 0.00 58.65 56.77 1n4c h GLN 157 Cb 0.26 0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 27.75 1n4c h GLN 157 CO -0.00 1.22 -0.03 1.88 -0.95 0.00 0.00 178.83 180.95 1n4c h TYR 158 N 0.11 -0.10 -0.15 2.96 -1.99 -1.69 -1.95 116.97 114.16 1n4c h TYR 158 Ca -0.11 0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.71 1n4c h TYR 158 Cb 1.53 0.14 -0.07 0.00 2.00 0.00 0.00 36.73 40.34 1n4c h TYR 158 CO 0.13 -0.19 -0.39 0.00 -0.00 0.00 0.00 178.16 177.71 1n4c h ALA 159 N 1.58 -0.52 -0.53 3.88 0.00 -1.62 -0.30 119.26 121.75 1n4c h ALA 159 Ca 0.32 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1n4c h ALA 159 Cb 0.52 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1n4c h ALA 159 CO -0.55 -0.89 0.36 0.87 0.00 0.00 0.00 179.25 179.04 1n4c h LYS 160 N -0.46 0.23 0.12 0.00 1.57 -1.47 1.66 116.57 118.22 1n4c h LYS 160 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1n4c h LYS 160 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1n4c h LYS 160 CO -0.40 0.15 -0.06 0.52 -0.57 0.00 0.00 179.45 179.10 1n4c h MET 161 N 0.23 -0.16 0.00 3.15 2.86 -0.74 -3.21 114.93 117.07 1n4c h MET 161 Ca 0.25 0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1n4c h MET 161 Cb 0.66 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1n4c h MET 161 CO -0.05 0.31 -0.76 -0.84 1.06 0.00 0.00 176.91 176.63 1n4c h ILE 162 N -0.88 1.11 -0.30 -1.22 3.07 -0.84 -3.01 117.51 115.45 1n4c h ILE 162 Ca -0.02 -2.61 -0.02 0.00 1.55 0.00 0.00 64.86 63.77 1n4c h ILE 162 Cb 0.54 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.61 1n4c h ILE 162 CO 0.03 0.63 0.11 0.15 -1.05 0.00 0.00 178.15 178.02 1n4c h PHE 163 N 0.00 0.46 -0.07 0.16 3.04 0.23 -1.50 116.94 119.27 1n4c h PHE 163 Ca -0.03 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.82 1n4c h PHE 163 Cb 1.54 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.92 1n4c h PHE 163 CO 0.00 0.46 -0.23 0.52 -2.02 0.00 0.00 178.31 177.04 1n4c h MET 164 N 0.33 0.27 -0.30 1.11 2.86 -1.66 -3.12 114.93 114.42 1n4c h MET 164 Ca 0.10 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1n4c h MET 164 Cb 0.20 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1n4c h MET 164 CO -0.01 0.83 -0.03 0.93 1.06 0.00 0.00 176.91 179.69 1n4c h GLU 165 N -0.23 0.05 -0.60 1.72 4.39 -1.51 0.94 114.58 119.33 1n4c h GLU 165 Ca -0.01 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.80 1n4c h GLU 165 Cb 0.85 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.41 1n4c h GLU 165 CO 0.05 0.03 0.16 -0.07 -1.16 0.00 0.00 179.01 178.02 1n4c h LEU 166 N 0.05 0.07 0.00 1.33 -0.00 -1.33 0.55 115.31 115.97 1n4c h LEU 166 Ca 0.15 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1n4c h LEU 166 Cb 0.21 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1n4c h LEU 166 CO -0.27 0.04 -0.25 -3.20 -0.00 0.00 0.00 178.44 174.76 1n4c n ASN 167 N -5.09 0.33 -0.03 -0.43 2.85 -0.68 -3.21 115.26 109.00 1n4c n ASN 167 Ca 0.09 0.19 -0.05 0.00 -0.11 0.00 0.00 54.58 54.70 1n4c n ASN 167 Cb 0.31 -0.19 -0.04 0.00 1.24 0.00 0.00 39.78 41.11 1n4c n ASN 167 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1n4c h ASP 168 N 0.00 -0.05 0.22 1.20 3.58 0.31 -3.27 116.42 118.41 1n4c h ASP 168 Ca 0.00 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 1n4c h ASP 168 Cb 0.55 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1n4c h ASP 168 CO 0.00 0.57 -0.16 0.00 -2.88 0.00 0.00 179.24 176.77 1n4c h ALA 169 N -0.71 1.59 -0.92 -0.78 0.00 -1.50 -2.22 119.26 114.72 1n4c h ALA 169 Ca -0.01 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1n4c h ALA 169 Cb 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1n4c h ALA 169 CO 0.01 0.20 0.55 2.35 0.00 0.00 0.00 179.25 182.36 1n4c h TRP 170 N 0.00 0.98 -0.12 0.00 2.91 -1.63 0.92 115.95 119.01 1n4c h TRP 170 Ca -0.00 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1n4c h TRP 170 Cb 0.31 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1n4c h TRP 170 CO 0.00 0.35 -0.06 1.03 -1.03 0.00 0.00 178.44 178.73 1n4c h SER 171 N 0.84 0.16 0.18 2.65 0.87 -1.45 -1.73 113.55 115.08 1n4c h SER 171 Ca 0.47 -0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.76 1n4c h SER 171 Cb 0.53 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1n4c h SER 171 CO -0.29 0.25 -1.10 -0.08 -0.53 0.00 0.00 176.83 175.08 1n4c h GLU 172 N 0.18 0.39 -0.92 2.24 4.57 -0.12 -2.41 114.58 118.50 1n4c h GLU 172 Ca 0.04 -0.66 0.11 0.00 -1.18 0.00 0.00 59.36 57.67 1n4c h GLU 172 Cb 0.22 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 1n4c h GLU 172 CO 0.01 1.32 0.59 0.35 -1.18 0.00 0.00 179.01 180.10 1n4c h PHE 173 N -0.17 0.96 0.00 0.92 3.57 0.10 2.66 116.94 124.98 1n4c h PHE 173 Ca -0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1n4c h PHE 173 Cb 1.85 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1n4c h PHE 173 CO 0.17 0.41 -0.04 0.93 -2.23 0.00 0.00 178.31 177.55 1n4c h GLU 174 N 0.86 0.02 -0.02 1.11 5.08 -1.39 -2.92 114.58 117.32 1n4c h GLU 174 Ca 0.44 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.52 1n4c h GLU 174 Cb 0.51 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1n4c h GLU 174 CO -0.20 0.82 -0.98 -0.97 -1.00 0.00 0.00 179.01 176.67 1n4c h ASN 175 N -0.76 0.91 0.10 1.42 -1.24 -0.99 -2.29 115.58 112.73 1n4c h ASN 175 Ca -0.00 -0.72 -0.01 0.00 0.71 0.00 0.00 56.30 56.27 1n4c h ASN 175 Cb 0.83 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 1n4c h ASN 175 CO 0.01 1.51 -0.05 -0.61 -1.29 0.00 0.00 177.43 176.99 1n4c h GLN 176 N 0.40 0.00 0.00 6.67 -0.00 0.45 -3.43 115.11 119.20 1n4c h GLN 176 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1n4c h GLN 176 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.12 1n4c h GLN 176 CO 0.19 0.05 0.00 0.41 0.00 0.00 0.00 178.83 179.49 1n4c n GLY 177 N -1.19 -0.66 1.70 2.39 0.00 -1.11 -5.01 105.19 101.31 1n4c n GLY 177 Ca -0.03 0.72 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 1n4c n GLY 177 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n4c n GLN 178 N 0.00 1.34 -3.58 1.61 7.27 -0.87 -4.66 117.38 118.49 1n4c n GLN 178 Ca 0.00 -0.36 -0.14 0.00 0.07 0.00 0.00 57.00 56.57 1n4c n GLN 178 Cb 0.00 -1.37 -0.06 0.00 2.41 0.00 0.00 30.24 31.22 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1n4c s LYS 179 N 0.42 1.00 -0.81 3.69 1.02 -1.26 -4.99 119.74 118.81 1n4c s LYS 179 Ca 0.24 -0.17 -0.34 0.00 0.02 0.00 0.00 55.97 55.72 1n4c s LYS 179 Cb 0.12 0.46 -0.20 0.00 -0.52 0.00 0.00 37.83 37.69 1n4c s LYS 179 CO 0.00 -0.35 2.51 -2.30 -0.92 0.00 0.00 175.35 174.29 1n4c n PRO 180 N 0.55 0.11 -3.17 -1.68 -0.02 -1.26 -4.85 135.00 124.67 1n4c n PRO 180 Ca -0.19 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 60.97 1n4c n PRO 180 Cb 0.59 -1.66 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1n4c n PRO 180 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n4c n LEU 181 N 9.99 5.05 0.00 2.45 0.00 -1.26 -5.16 117.00 128.07 1n4c n LEU 181 Ca 0.60 -5.38 0.00 0.00 0.00 0.00 0.00 56.01 51.23 1n4c n LEU 181 Cb 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.56 1n4c n LEU 181 CO 0.90 1.96 0.00 -1.22 0.00 0.00 0.00 177.39 179.03