#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmm s GLU 2 N 0.00 3.18 0.70 -2.82 2.02 -1.26 -1.38 118.70 119.14 1nmm s GLU 2 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 1nmm s GLU 2 Cb 0.00 -4.11 0.01 0.00 0.10 0.00 0.00 34.13 30.13 1nmm s GLU 2 CO 0.00 -1.40 1.09 -0.51 0.02 0.00 0.00 175.26 174.46 1nmm s LEU 3 N 3.21 2.93 0.48 1.80 1.43 -0.33 -4.98 118.68 123.22 1nmm s LEU 3 Ca 0.20 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1nmm s LEU 3 Cb -0.17 -3.97 -0.00 0.00 0.03 0.00 0.00 46.19 42.07 1nmm s LEU 3 CO 0.14 -1.30 0.72 0.42 0.23 0.00 0.00 176.35 176.56 1nmm s THR 4 N -3.34 4.05 0.23 5.49 -4.23 -1.26 -4.80 115.64 111.79 1nmm s THR 4 Ca 0.58 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1nmm s THR 4 Cb -0.11 -3.52 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1nmm s THR 4 CO 0.52 -0.41 1.88 0.50 -0.54 0.00 0.00 174.62 176.56 1nmm h LYS 5 N 0.28 1.05 -0.40 3.99 3.64 -1.98 -0.70 116.57 122.45 1nmm h LYS 5 Ca -0.46 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.77 1nmm h LYS 5 Cb 1.25 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1nmm h LYS 5 CO 0.59 0.69 -0.10 0.00 -2.27 0.00 0.00 179.45 178.36 1nmm h LYS 7 N 0.58 0.53 -0.06 0.00 1.57 -1.81 -1.86 116.57 115.53 1nmm h LYS 7 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nmm h LYS 7 Cb 0.63 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1nmm h LYS 7 CO 0.04 0.35 0.03 0.28 -0.57 0.00 0.00 179.45 179.59 1nmm h VAL 8 N 0.55 1.06 -0.59 0.50 2.07 -1.00 -1.26 116.25 117.58 1nmm h VAL 8 Ca 0.19 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1nmm h VAL 8 Cb 0.02 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1nmm h VAL 8 CO -0.09 0.05 0.21 0.28 0.02 0.00 0.00 177.57 178.05 1nmm h SER 9 N 0.02 0.20 -0.27 0.57 0.02 -0.72 -1.19 113.55 112.18 1nmm h SER 9 Ca 0.02 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1nmm h SER 9 Cb 0.06 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1nmm h SER 9 CO -0.00 0.12 0.07 -0.74 -1.14 0.00 0.00 176.83 175.13 1nmm h HIS 10 N 0.39 0.44 0.00 3.45 6.17 -1.21 -3.09 115.15 121.30 1nmm h HIS 10 Ca 0.30 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.29 1nmm h HIS 10 Cb 0.37 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 1nmm h HIS 10 CO -0.17 0.50 -0.16 0.00 0.71 0.00 0.00 177.93 178.81 1nmm h ALA 11 N 0.89 1.49 -0.55 5.26 0.00 -0.63 -2.92 119.26 122.81 1nmm h ALA 11 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nmm h ALA 11 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nmm h ALA 11 CO 0.00 0.20 0.00 0.44 0.00 0.00 0.00 179.25 179.89 1nmm n ILE 12 N -3.99 2.17 -0.30 0.00 -5.35 -0.51 -4.65 119.36 106.73 1nmm n ILE 12 Ca -0.02 -1.37 0.12 0.00 -0.27 0.00 0.00 62.75 61.21 1nmm n ILE 12 Cb 0.24 -0.04 0.27 0.00 -1.74 0.00 0.00 39.64 38.37 1nmm n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1nmm h LYS 13 N 3.57 0.13 0.00 6.28 1.79 -1.44 -0.33 116.57 126.58 1nmm h LYS 13 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1nmm h LYS 13 Cb 1.58 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1nmm h LYS 13 CO 0.30 0.09 0.13 -0.44 -1.08 0.00 0.00 179.45 178.45 1nmm h ASP 14 N 0.14 0.00 0.08 0.86 3.32 -1.87 -1.47 116.42 117.48 1nmm h ASP 14 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1nmm h ASP 14 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1nmm h ASP 14 CO -0.72 0.00 -0.36 0.00 -1.72 0.00 0.00 179.24 176.44 1nmm n ILE 15 N -2.51 0.00 -1.69 0.35 3.06 -0.13 -4.89 119.36 113.55 1nmm n ILE 15 Ca -0.02 -0.21 -0.42 0.00 -2.50 0.00 0.00 62.75 59.60 1nmm n ILE 15 Cb 0.17 0.90 -0.03 0.00 0.54 0.00 0.00 39.64 41.22 1nmm n ILE 15 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1nmm s ASP 16 N -2.46 6.41 0.00 9.51 2.15 -0.56 -2.17 116.67 129.56 1nmm s ASP 16 Ca 0.22 2.76 0.00 0.00 0.43 0.00 0.00 52.55 55.96 1nmm s ASP 16 Cb 0.19 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1nmm s ASP 16 CO 0.54 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 1nmm n GLY 17 N 4.32 3.22 3.71 2.66 0.00 0.09 -5.00 105.19 114.18 1nmm n GLY 17 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1nmm n GLY 17 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nmm n TYR 18 N -1.72 2.67 -1.26 1.61 4.02 -0.92 -0.16 117.16 121.40 1nmm n TYR 18 Ca 0.00 0.11 -0.09 0.00 -0.01 0.00 0.00 57.90 57.91 1nmm n TYR 18 Cb 0.00 -2.64 -0.04 0.00 -0.02 0.00 0.00 39.34 36.64 1nmm n TYR 18 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1nmm n GLN 19 N 3.62 -1.27 -1.19 -0.72 -0.06 -1.26 -2.11 117.38 114.39 1nmm n GLN 19 Ca 0.15 0.76 -0.07 0.00 -2.00 0.00 0.00 57.00 55.85 1nmm n GLN 19 Cb 0.34 -4.91 -0.03 0.00 -4.06 0.00 0.00 30.24 21.58 1nmm n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nmm n GLY 20 N -0.59 0.88 3.71 1.69 0.00 0.78 -5.00 105.19 106.66 1nmm n GLY 20 Ca -0.09 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1nmm n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nmm s ILE 21 N -2.19 5.39 0.69 -0.61 -1.09 -0.90 -4.91 121.20 117.58 1nmm s ILE 21 Ca 0.00 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1nmm s ILE 21 Cb 0.00 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.47 1nmm s ILE 21 CO 0.00 0.42 1.00 -0.94 -1.23 0.00 0.00 174.94 174.19 1nmm s SER 22 N 0.53 4.88 0.41 3.58 1.04 -1.26 -0.73 113.70 122.14 1nmm s SER 22 Ca 0.08 0.46 0.15 0.00 0.48 0.00 0.00 55.95 57.12 1nmm s SER 22 Cb -0.12 -1.14 0.89 0.00 0.10 0.00 0.00 66.02 65.75 1nmm s SER 22 CO -0.00 -1.55 1.90 -0.07 0.98 0.00 0.00 173.24 174.50 1nmm h LEU 23 N -0.56 0.00 -0.24 2.42 3.38 -1.94 -0.59 115.31 117.78 1nmm h LEU 23 Ca -0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1nmm h LEU 23 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1nmm h LEU 23 CO 0.60 0.28 -0.19 -0.07 0.09 0.00 0.00 178.44 179.16 1nmm h LEU 24 N 0.00 0.58 -0.57 1.67 3.38 -1.91 0.22 115.31 118.68 1nmm h LEU 24 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1nmm h LEU 24 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1nmm h LEU 24 CO 0.04 0.91 0.31 -0.33 0.09 0.00 0.00 178.44 179.46 1nmm h GLU 25 N 0.26 0.80 -0.68 1.13 5.08 -1.79 -2.51 114.58 116.88 1nmm h GLU 25 Ca 0.04 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1nmm h GLU 25 Cb 0.73 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1nmm h GLU 25 CO 0.05 0.62 0.11 -1.49 -1.00 0.00 0.00 179.01 177.30 1nmm h TRP 26 N 0.77 1.19 -0.79 4.33 4.06 -1.01 0.93 115.95 125.43 1nmm h TRP 26 Ca 0.20 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1nmm h TRP 26 Cb 0.05 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 27.85 1nmm h TRP 26 CO -0.01 0.99 0.50 0.00 -3.56 0.00 0.00 178.44 176.36 1nmm h ALA 27 N 1.06 1.39 -0.12 1.49 0.00 -0.69 0.14 119.26 122.54 1nmm h ALA 27 Ca 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nmm h ALA 27 Cb 0.44 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nmm h ALA 27 CO 0.01 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 1nmm h VAL 29 N -0.11 1.05 -0.11 0.00 2.07 -0.33 -2.68 116.25 116.15 1nmm h VAL 29 Ca 0.02 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1nmm h VAL 29 Cb 0.62 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1nmm h VAL 29 CO 0.03 0.07 -0.43 -0.07 0.02 0.00 0.00 177.57 177.19 1nmm h LEU 30 N 0.38 0.28 -0.58 2.57 3.38 -0.74 -0.54 115.31 120.06 1nmm h LEU 30 Ca 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1nmm h LEU 30 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1nmm h LEU 30 CO -0.04 0.68 0.21 0.15 0.09 0.00 0.00 178.44 179.53 1nmm h PHE 31 N 0.22 0.90 0.00 1.13 3.57 -1.22 -1.72 116.94 119.82 1nmm h PHE 31 Ca 0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1nmm h PHE 31 Cb 0.85 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1nmm h PHE 31 CO 0.02 0.74 -0.02 0.72 -2.23 0.00 0.00 178.31 177.53 1nmm n HIS 32 N -4.46 0.47 -0.05 0.41 8.25 -1.02 -0.33 115.22 118.49 1nmm n HIS 32 Ca 0.03 0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1nmm n HIS 32 Cb 0.18 -0.72 -0.13 0.00 1.12 0.00 0.00 29.99 30.45 1nmm n HIS 32 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1nmm h THR 33 N 0.00 0.97 0.00 1.59 2.02 -0.82 -3.44 112.91 113.23 1nmm h THR 33 Ca 0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1nmm h THR 33 Cb 0.62 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1nmm h THR 33 CO 0.00 0.56 0.00 -1.54 0.37 0.00 0.00 175.52 174.91 1nmm n SER 34 N -4.12 0.31 -1.19 4.18 3.41 -0.67 -4.90 113.62 110.64 1nmm n SER 34 Ca -0.28 -1.04 -0.14 0.00 -0.26 0.00 0.00 58.87 57.14 1nmm n SER 34 Cb 0.80 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 1nmm n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nmm n GLY 35 N -0.02 1.25 2.35 5.00 0.00 0.55 -1.25 105.19 113.08 1nmm n GLY 35 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1nmm n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nmm n TYR 36 N -2.78 -0.15 -3.00 1.61 4.01 -1.22 -4.70 117.16 110.94 1nmm n TYR 36 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 1nmm n TYR 36 Cb 0.50 -2.51 -0.06 0.00 -0.31 0.00 0.00 39.34 36.96 1nmm n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nmm s ASP 37 N -2.76 6.36 0.31 7.72 -1.08 -0.38 -1.18 116.67 125.67 1nmm s ASP 37 Ca 0.00 -0.29 0.24 0.00 -0.52 0.00 0.00 52.55 51.98 1nmm s ASP 37 Cb 0.00 -2.37 1.13 0.00 -1.46 0.00 0.00 42.92 40.23 1nmm s ASP 37 CO 0.00 -0.93 1.72 0.71 0.52 0.00 0.00 175.17 177.19 1nmm h THR 38 N 5.95 0.00 -0.38 1.71 1.35 -1.55 -2.52 112.91 117.47 1nmm h THR 38 Ca -0.25 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1nmm h THR 38 Cb 1.09 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1nmm h THR 38 CO 0.97 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.24 1nmm n GLN 39 N -2.31 3.13 -1.73 4.72 6.02 -1.26 -3.97 117.38 121.97 1nmm n GLN 39 Ca 0.00 -2.57 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 1nmm n GLN 39 Cb 0.14 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 1nmm n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nmm n ALA 40 N 0.22 2.34 -3.79 -1.58 0.00 -0.95 -4.72 120.51 112.03 1nmm n ALA 40 Ca 0.19 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.76 1nmm n ALA 40 Cb 0.73 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.57 1nmm n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nmm s VAL 41 N 0.24 0.61 -0.04 0.00 1.01 -1.26 -0.40 120.40 120.55 1nmm s VAL 41 Ca 0.67 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1nmm s VAL 41 Cb -0.53 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1nmm s VAL 41 CO 0.45 0.05 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 1nmm s VAL 42 N 1.85 0.85 0.19 2.92 1.01 -0.67 -4.98 120.40 121.57 1nmm s VAL 42 Ca 0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1nmm s VAL 42 Cb -0.15 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 1nmm s VAL 42 CO -0.07 0.28 0.87 0.20 0.00 0.00 0.00 175.10 176.38 1nmm s ASN 43 N 0.48 7.51 -0.30 3.32 -0.87 -1.26 -0.52 114.94 123.30 1nmm s ASN 43 Ca -0.08 1.79 -0.01 0.00 -1.57 0.00 0.00 52.86 52.99 1nmm s ASN 43 Cb -0.12 -2.56 0.13 0.00 -0.02 0.00 0.00 41.25 38.68 1nmm s ASN 43 CO 0.01 0.14 0.25 -0.62 -2.57 0.00 0.00 177.10 174.31 1nmm s ASP 44 N -0.95 2.27 -1.23 -1.22 -1.08 0.44 -4.95 116.67 109.95 1nmm s ASP 44 Ca 0.40 -1.07 -0.16 0.00 -0.52 0.00 0.00 52.55 51.20 1nmm s ASP 44 Cb -0.24 0.20 -0.00 0.00 -1.46 0.00 0.00 42.92 41.42 1nmm s ASP 44 CO 0.29 -0.39 0.67 0.59 0.52 0.00 0.00 175.17 176.86 1nmm n ASN 45 N 5.13 -3.68 0.00 -0.34 3.02 -1.26 -1.80 115.26 116.34 1nmm n ASN 45 Ca -0.01 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1nmm n ASN 45 Cb 0.44 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 1nmm n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nmm n GLY 46 N -1.80 3.08 3.90 7.41 0.00 -1.26 -5.02 105.19 111.49 1nmm n GLY 46 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1nmm n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nmm s SER 47 N -0.47 5.07 -0.03 1.61 1.04 -0.74 -5.03 113.70 115.15 1nmm s SER 47 Ca 0.00 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.70 1nmm s SER 47 Cb 0.00 -0.46 -0.00 0.00 0.10 0.00 0.00 66.02 65.66 1nmm s SER 47 CO 0.00 -0.73 -0.14 -0.89 0.98 0.00 0.00 173.24 172.46 1nmm s THR 48 N -2.50 1.16 -0.10 2.02 2.01 -1.26 -0.42 115.64 116.55 1nmm s THR 48 Ca 0.48 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1nmm s THR 48 Cb -0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1nmm s THR 48 CO 0.28 0.34 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.87 1nmm s GLU 49 N -0.01 3.04 -0.06 4.92 2.02 0.32 -1.43 118.70 127.50 1nmm s GLU 49 Ca -0.01 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.47 1nmm s GLU 49 Cb -0.09 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 1nmm s GLU 49 CO 0.01 0.51 -0.20 0.71 0.02 0.00 0.00 175.26 176.31 1nmm s TYR 50 N -0.40 2.57 0.00 1.61 1.51 0.44 -1.67 117.35 121.40 1nmm s TYR 50 Ca 0.06 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1nmm s TYR 50 Cb -0.12 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1nmm s TYR 50 CO 0.02 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.80 1nmm n GLY 51 N 2.79 -1.13 0.29 0.71 0.00 0.46 -1.81 105.19 106.50 1nmm n GLY 51 Ca -0.17 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.79 1nmm n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nmm h LEU 52 N 0.00 -0.36 -0.57 0.99 5.85 -1.68 -0.20 115.31 119.36 1nmm h LEU 52 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1nmm h LEU 52 Cb 0.00 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1nmm h LEU 52 CO 0.00 -0.21 -0.22 0.49 -0.34 0.00 0.00 178.44 178.16 1nmm n PHE 53 N -5.37 0.00 -3.58 1.25 3.72 -1.26 -4.26 117.46 107.97 1nmm n PHE 53 Ca 0.16 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.29 1nmm n PHE 53 Cb 0.54 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 39.03 1nmm n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nmm n GLN 54 N -0.52 -1.60 -2.77 -1.08 1.13 -0.09 -4.94 117.38 107.51 1nmm n GLN 54 Ca 0.13 0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 1nmm n GLN 54 Cb 0.35 -4.57 -0.03 0.00 0.11 0.00 0.00 30.24 26.10 1nmm n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nmm s ILE 55 N -3.46 4.89 0.18 5.09 1.01 -0.75 -4.45 121.20 123.71 1nmm s ILE 55 Ca 0.45 1.94 -0.24 0.00 0.00 0.00 0.00 60.65 62.81 1nmm s ILE 55 Cb -0.14 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 1nmm s ILE 55 CO 0.83 0.15 0.76 -0.55 0.00 0.00 0.00 174.94 176.13 1nmm s SER 56 N 0.99 7.31 0.00 3.58 0.15 -1.26 -0.42 113.70 124.05 1nmm s SER 56 Ca 0.49 1.59 0.31 0.00 0.70 0.00 0.00 55.95 59.04 1nmm s SER 56 Cb -0.20 -2.48 1.68 0.00 -1.71 0.00 0.00 66.02 63.31 1nmm s SER 56 CO 0.24 0.16 2.12 -0.90 1.20 0.00 0.00 173.24 176.06 1nmm n ASP 57 N 1.37 0.14 -0.13 5.45 5.75 -0.52 -2.18 116.55 126.44 1nmm n ASP 57 Ca -0.05 -0.75 -0.11 0.00 -0.01 0.00 0.00 54.79 53.88 1nmm n ASP 57 Cb 0.49 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 1nmm n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nmm h ARG 58 N 0.20 0.71 0.00 0.11 2.43 -1.83 -3.42 114.38 112.58 1nmm h ARG 58 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1nmm h ARG 58 Cb 0.15 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1nmm h ARG 58 CO 0.00 0.85 -0.45 1.19 -1.51 0.00 0.00 179.97 180.04 1nmm n PHE 59 N -4.40 0.00 -0.04 2.20 3.72 -1.25 -4.07 117.46 113.63 1nmm n PHE 59 Ca -0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.17 1nmm n PHE 59 Cb 0.33 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.74 1nmm n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nmm n TRP 60 N -1.13 1.14 -4.49 1.38 7.02 -0.92 -0.63 117.44 119.80 1nmm n TRP 60 Ca 0.00 0.32 -0.23 0.00 -1.02 0.00 0.00 57.50 56.57 1nmm n TRP 60 Cb 0.21 -1.14 -0.11 0.00 -2.42 0.00 0.00 31.31 27.85 1nmm n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nmm s LYS 62 N -3.80 3.91 0.37 0.00 2.20 0.59 -4.46 119.74 118.54 1nmm s LYS 62 Ca 0.34 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1nmm s LYS 62 Cb 0.08 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1nmm s LYS 62 CO 0.15 -0.01 0.09 -1.13 -0.36 0.00 0.00 175.35 174.09 1nmm n SER 63 N 4.45 2.76 0.23 1.43 3.41 -1.26 -1.28 113.62 123.36 1nmm n SER 63 Ca -0.15 -2.50 0.10 0.00 -0.26 0.00 0.00 58.87 56.06 1nmm n SER 63 Cb 0.52 0.16 0.48 0.00 -0.26 0.00 0.00 64.21 65.12 1nmm n SER 63 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1nmm h SER 64 N 0.74 0.00 0.00 4.04 0.87 -1.99 -3.40 113.55 113.80 1nmm h SER 64 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1nmm h SER 64 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1nmm h SER 64 CO 0.46 0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 176.35 1nmm n GLU 65 N -3.40 0.00 -2.03 2.24 4.71 -1.26 -4.71 120.64 116.18 1nmm n GLU 65 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1nmm n GLU 65 Cb 0.41 -0.45 -0.04 0.00 -1.01 0.00 0.00 31.44 30.35 1nmm n GLU 65 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1nmm s PHE 66 N -0.18 1.71 -0.62 -0.32 0.08 -1.26 -4.77 117.98 112.61 1nmm s PHE 66 Ca 0.00 0.75 0.25 0.00 0.12 0.00 0.00 56.93 58.04 1nmm s PHE 66 Cb 0.00 -4.05 0.91 0.00 -0.57 0.00 0.00 43.02 39.31 1nmm s PHE 66 CO 0.00 -2.04 1.74 -2.30 -0.10 0.00 0.00 175.22 172.52 1nmm n PRO 67 N 9.03 0.21 -0.16 0.24 -0.02 -1.26 -2.27 135.00 140.76 1nmm n PRO 67 Ca 0.30 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 1nmm n PRO 67 Cb 0.50 -1.82 0.17 0.00 -0.02 0.00 0.00 33.50 32.33 1nmm n PRO 67 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1nmm n GLU 68 N -2.20 1.77 -2.04 -0.52 0.00 -1.26 -4.91 120.64 111.49 1nmm n GLU 68 Ca 0.04 -1.20 -0.41 0.00 0.00 0.00 0.00 57.16 55.59 1nmm n GLU 68 Cb 0.31 -1.28 -0.02 0.00 0.00 0.00 0.00 31.44 30.46 1nmm n GLU 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1nmm s SER 69 N -1.06 6.68 0.44 -1.84 0.15 -0.96 -4.86 113.70 112.25 1nmm s SER 69 Ca 0.24 2.73 0.30 0.00 0.70 0.00 0.00 55.95 59.91 1nmm s SER 69 Cb 0.12 -2.64 1.27 0.00 -1.71 0.00 0.00 66.02 63.06 1nmm s SER 69 CO 0.16 -0.64 1.89 -0.33 1.20 0.00 0.00 173.24 175.53 1nmm h GLU 70 N 3.92 0.00 -6.71 5.44 3.07 -1.71 -3.47 114.58 115.13 1nmm h GLU 70 Ca -0.48 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.84 1nmm h GLU 70 Cb 1.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1nmm h GLU 70 CO 0.70 0.00 -0.96 -1.71 -1.40 0.00 0.00 179.01 175.63 1nmm n ASN 71 N -2.75 -2.61 -0.25 1.42 4.05 -0.74 -4.82 115.26 109.56 1nmm n ASN 71 Ca 0.01 -1.17 0.11 0.00 0.45 0.00 0.00 54.58 53.98 1nmm n ASN 71 Cb 0.26 -2.36 0.37 0.00 1.23 0.00 0.00 39.78 39.29 1nmm n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nmm h ILE 72 N -2.13 0.88 0.00 -1.44 2.04 -0.66 0.81 117.51 117.01 1nmm h ILE 72 Ca -0.68 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1nmm h ILE 72 Cb 1.39 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1nmm h ILE 72 CO 0.57 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1nmm n GLY 74 N 0.66 -0.24 3.28 0.00 0.00 0.28 -4.94 105.19 104.23 1nmm n GLY 74 Ca 0.04 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1nmm n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nmm s ILE 75 N -3.29 0.07 0.19 -0.61 2.07 -1.26 -5.06 121.20 113.30 1nmm s ILE 75 Ca 0.11 -0.54 -0.30 0.00 -1.41 0.00 0.00 60.65 58.51 1nmm s ILE 75 Cb -0.05 -0.89 -0.08 0.00 0.13 0.00 0.00 42.46 41.57 1nmm s ILE 75 CO 0.61 -0.30 1.11 -0.55 -1.91 0.00 0.00 174.94 173.89 1nmm s SER 76 N -1.90 7.25 0.55 4.50 0.15 -1.26 -0.30 113.70 122.69 1nmm s SER 76 Ca -0.07 2.12 0.24 0.00 0.70 0.00 0.00 55.95 58.94 1nmm s SER 76 Cb -0.02 -2.61 1.55 0.00 -1.71 0.00 0.00 66.02 63.24 1nmm s SER 76 CO -0.01 -0.22 2.19 0.00 1.20 0.00 0.00 173.24 176.39 1nmm h ASP 78 N 0.00 0.00 0.50 0.00 3.32 -1.91 0.20 116.42 118.53 1nmm h ASP 78 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nmm h ASP 78 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1nmm h ASP 78 CO 0.00 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.85 1nmm n LYS 79 N -3.27 0.24 -0.21 3.56 4.01 -0.32 -2.04 118.16 120.13 1nmm n LYS 79 Ca -0.02 0.09 0.12 0.00 -0.51 0.00 0.00 58.31 57.99 1nmm n LYS 79 Cb 0.19 -1.50 0.24 0.00 -0.51 0.00 0.00 35.03 33.46 1nmm n LYS 79 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1nmm n LEU 80 N -1.34 3.37 -0.90 -0.35 4.77 0.06 -4.18 117.00 118.43 1nmm n LEU 80 Ca 0.09 -1.49 0.05 0.00 -0.03 0.00 0.00 56.01 54.63 1nmm n LEU 80 Cb 0.20 -0.27 0.23 0.00 -2.33 0.00 0.00 43.42 41.24 1nmm n LEU 80 CO 0.18 0.74 0.69 0.18 -1.33 0.00 0.00 177.39 177.86 1nmm n LEU 81 N 1.42 3.83 0.00 2.23 4.77 -0.87 -3.60 117.00 124.78 1nmm n LEU 81 Ca 0.20 -3.26 -0.17 0.00 -0.03 0.00 0.00 56.01 52.75 1nmm n LEU 81 Cb 0.58 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1nmm n LEU 81 CO 0.16 0.85 -0.07 -0.90 -1.33 0.00 0.00 177.39 176.10 1nmm n ASP 82 N -0.79 2.49 -0.87 -1.43 5.68 -1.26 -4.61 116.55 115.76 1nmm n ASP 82 Ca 0.25 -2.21 0.10 0.00 -0.50 0.00 0.00 54.79 52.43 1nmm n ASP 82 Cb 0.92 0.11 0.27 0.00 -1.14 0.00 0.00 41.12 41.28 1nmm n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nmm n ASP 83 N -1.47 2.57 -4.36 -1.12 9.92 -1.26 -4.71 116.55 116.12 1nmm n ASP 83 Ca -0.08 -1.91 -0.45 0.00 -0.53 0.00 0.00 54.79 51.82 1nmm n ASP 83 Cb 0.37 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 1nmm n ASP 83 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1nmm s GLU 84 N -1.52 3.19 0.00 -1.24 2.56 -1.26 -4.94 118.70 115.49 1nmm s GLU 84 Ca 0.35 -1.62 0.29 0.00 0.00 0.00 0.00 54.97 53.99 1nmm s GLU 84 Cb 0.19 -4.37 1.34 0.00 2.00 0.00 0.00 34.13 33.29 1nmm s GLU 84 CO 0.26 -1.49 1.94 1.28 -0.56 0.00 0.00 175.26 176.69 1nmm n LEU 85 N 5.79 0.22 -0.35 2.70 7.99 -1.26 -4.28 117.00 127.81 1nmm n LEU 85 Ca -0.03 0.16 -0.03 0.00 -0.01 0.00 0.00 56.01 56.11 1nmm n LEU 85 Cb 0.43 -0.25 0.11 0.00 -0.11 0.00 0.00 43.42 43.60 1nmm n LEU 85 CO 0.53 0.04 1.24 0.44 -1.51 0.00 0.00 177.39 178.13 1nmm h ASP 86 N 0.25 1.13 0.47 -1.43 3.45 -1.92 0.60 116.42 118.97 1nmm h ASP 86 Ca 0.00 -0.06 -0.15 0.00 0.43 0.00 0.00 57.03 57.25 1nmm h ASP 86 Cb 0.33 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1nmm h ASP 86 CO 0.00 0.86 -0.64 -2.24 -1.57 0.00 0.00 179.24 175.65 1nmm h ASP 87 N 1.30 0.18 -0.77 6.45 3.04 -1.93 -1.81 116.42 122.89 1nmm h ASP 87 Ca 0.34 -0.11 -0.05 0.00 -3.24 0.00 0.00 57.03 53.97 1nmm h ASP 87 Cb -0.07 -0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 38.14 1nmm h ASP 87 CO -0.06 0.77 0.30 0.44 -2.04 0.00 0.00 179.24 178.65 1nmm h ASP 88 N 0.11 1.07 -0.58 4.15 3.45 -1.62 -1.75 116.42 121.25 1nmm h ASP 88 Ca -0.01 -0.17 -0.10 0.00 0.43 0.00 0.00 57.03 57.19 1nmm h ASP 88 Cb 1.15 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 1nmm h ASP 88 CO 0.09 0.96 -0.01 0.40 -1.57 0.00 0.00 179.24 179.11 1nmm h ILE 89 N 1.13 1.27 -0.71 0.35 2.04 -0.68 -0.77 117.51 120.14 1nmm h ILE 89 Ca 0.26 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1nmm h ILE 89 Cb 0.22 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1nmm h ILE 89 CO -0.02 0.42 0.25 0.00 0.00 0.00 0.00 178.15 178.79 1nmm h ALA 90 N 0.97 1.11 -0.32 1.87 0.00 -1.07 0.20 119.26 122.02 1nmm h ALA 90 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1nmm h ALA 90 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nmm h ALA 90 CO 0.03 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 1nmm h ALA 92 N 0.76 1.43 -0.89 0.00 0.00 -0.65 -1.46 119.26 118.46 1nmm h ALA 92 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nmm h ALA 92 Cb 0.70 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1nmm h ALA 92 CO 0.05 0.45 0.50 0.87 0.00 0.00 0.00 179.25 181.12 1nmm h LYS 93 N 1.14 1.22 -0.64 0.00 1.57 -0.79 0.32 116.57 119.38 1nmm h LYS 93 Ca 0.39 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1nmm h LYS 93 Cb 0.10 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1nmm h LYS 93 CO -0.14 0.88 0.08 0.87 -0.57 0.00 0.00 179.45 180.57 1nmm h LYS 94 N 1.23 1.08 -0.42 3.15 1.57 -0.98 -0.82 116.57 121.39 1nmm h LYS 94 Ca 0.31 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1nmm h LYS 94 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1nmm h LYS 94 CO -0.05 1.01 0.21 0.82 -0.57 0.00 0.00 179.45 180.87 1nmm h ILE 95 N 1.00 1.17 -0.76 1.86 2.04 -0.86 -1.15 117.51 120.80 1nmm h ILE 95 Ca 0.19 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1nmm h ILE 95 Cb 0.47 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1nmm h ILE 95 CO 0.02 0.18 0.49 -0.07 0.00 0.00 0.00 178.15 178.77 1nmm h LEU 96 N 0.54 0.84 -0.89 1.44 3.38 -0.61 0.48 115.31 120.49 1nmm h LEU 96 Ca 0.14 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1nmm h LEU 96 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nmm h LEU 96 CO -0.02 0.59 -0.38 0.00 0.09 0.00 0.00 178.44 178.72 1nmm h ALA 97 N 1.30 0.98 0.00 1.53 0.00 -0.85 -2.69 119.26 119.53 1nmm h ALA 97 Ca 0.29 -0.35 -0.46 0.00 0.00 0.00 0.00 54.91 54.39 1nmm h ALA 97 Cb -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1nmm h ALA 97 CO -0.09 0.48 -2.54 -0.89 0.00 0.00 0.00 179.25 176.21 1nmm n ILE 98 N -3.52 1.53 -0.10 0.00 5.41 -0.46 -4.80 119.36 117.42 1nmm n ILE 98 Ca -0.00 -0.40 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 1nmm n ILE 98 Cb 0.52 -1.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.49 1nmm n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nmm n LYS 99 N -4.16 0.82 0.00 0.38 3.00 0.15 -5.08 118.16 113.27 1nmm n LYS 99 Ca -0.54 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 57.84 1nmm n LYS 99 Cb 0.90 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1nmm n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nmm n GLY 100 N 2.20 0.88 0.33 3.14 0.00 -0.16 -4.63 105.19 106.95 1nmm n GLY 100 Ca -0.35 -2.08 0.16 0.00 0.00 0.00 0.00 46.02 43.75 1nmm n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nmm h ILE 101 N 0.00 0.66 0.00 -0.61 6.09 -1.87 -2.47 117.51 119.31 1nmm h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nmm h ILE 101 Cb 0.00 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1nmm h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nmm n ASP 102 N -4.11 0.00 -0.14 2.19 10.43 -1.26 -1.39 116.55 122.27 1nmm n ASP 102 Ca 0.02 -0.64 -0.01 0.00 2.57 0.00 0.00 54.79 56.73 1nmm n ASP 102 Cb 0.31 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.52 1nmm n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nmm h TYR 103 N 0.00 0.84 -2.47 1.24 3.20 -1.73 -3.34 116.97 114.70 1nmm h TYR 103 Ca 0.00 -0.03 -0.61 0.00 3.14 0.00 0.00 58.73 61.23 1nmm h TYR 103 Cb 0.00 -0.26 -0.13 0.00 1.54 0.00 0.00 36.73 37.88 1nmm h TYR 103 CO 0.00 0.62 0.76 -1.58 -1.64 0.00 0.00 178.16 176.32 1nmm s TRP 104 N -5.47 2.59 0.27 -3.82 0.51 -0.49 -4.89 118.94 107.64 1nmm s TRP 104 Ca -0.10 -0.48 0.32 0.00 -2.12 0.00 0.00 56.10 53.71 1nmm s TRP 104 Cb 0.17 -4.41 1.72 0.00 -0.81 0.00 0.00 33.47 30.14 1nmm s TRP 104 CO 0.78 -1.78 1.96 0.87 -0.51 0.00 0.00 176.95 178.28 1nmm h LYS 105 N 9.66 0.00 0.00 4.98 1.57 -1.84 -2.24 116.57 128.69 1nmm h LYS 105 Ca -0.23 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1nmm h LYS 105 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1nmm h LYS 105 CO 1.22 0.00 -0.56 0.00 -0.57 0.00 0.00 179.45 179.54 1nmm h ALA 106 N 1.87 0.78 0.10 3.86 0.00 -1.91 -3.39 119.26 120.58 1nmm h ALA 106 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1nmm h ALA 106 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1nmm h ALA 106 CO 0.00 0.70 -0.51 -0.92 0.00 0.00 0.00 179.25 178.52 1nmm h TYR 107 N 0.00 -1.48 0.24 0.00 3.20 -1.73 -1.69 116.97 115.50 1nmm h TYR 107 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nmm h TYR 107 Cb 1.23 0.63 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 1nmm h TYR 107 CO 0.00 -0.57 -0.23 0.87 -1.64 0.00 0.00 178.16 176.59 1nmm h LYS 108 N -0.71 -0.48 0.00 1.82 1.57 -1.79 -0.86 116.57 116.11 1nmm h LYS 108 Ca -0.00 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1nmm h LYS 108 Cb 0.72 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1nmm h LYS 108 CO -0.29 -0.32 -0.57 -1.00 -0.57 0.00 0.00 179.45 176.70 1nmm h PRO 109 N -0.50 0.00 -0.00 3.15 0.13 -1.77 -3.33 132.00 129.69 1nmm h PRO 109 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nmm h PRO 109 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1nmm h PRO 109 CO -0.05 0.57 -0.26 -1.33 -0.23 0.00 0.00 178.00 176.69 1nmm n MET 110 N -3.81 4.50 -1.01 0.86 2.81 -0.64 -4.69 117.12 115.14 1nmm n MET 110 Ca -0.01 -0.09 0.04 0.00 -1.81 0.00 0.00 57.70 55.84 1nmm n MET 110 Cb 0.58 -0.82 0.13 0.00 -0.71 0.00 0.00 33.22 32.40 1nmm n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nmm n SER 112 N -0.49 1.54 -3.44 0.00 7.64 -1.23 -4.90 113.62 112.73 1nmm n SER 112 Ca 0.15 -1.23 -0.08 0.00 1.01 0.00 0.00 58.87 58.72 1nmm n SER 112 Cb 0.87 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1nmm n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nmm s GLU 113 N -2.41 1.95 -1.27 1.43 -1.05 -1.26 -5.00 118.70 111.09 1nmm s GLU 113 Ca 0.24 -1.17 -0.08 0.00 -0.15 0.00 0.00 54.97 53.82 1nmm s GLU 113 Cb 0.19 0.60 -0.01 0.00 -0.44 0.00 0.00 34.13 34.48 1nmm s GLU 113 CO 0.51 -0.90 0.65 1.63 0.95 0.00 0.00 175.26 178.10 1nmm n LYS 114 N -0.50 -2.97 0.09 -4.83 5.02 -1.26 -4.92 118.16 108.79 1nmm n LYS 114 Ca -0.06 0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 56.71 1nmm n LYS 114 Cb 0.59 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 30.93 1nmm n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nmm h LEU 115 N -1.84 0.00 -1.90 -0.35 3.38 -1.94 -3.35 115.31 109.31 1nmm h LEU 115 Ca -0.64 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1nmm h LEU 115 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1nmm h LEU 115 CO 0.55 0.77 0.12 -0.08 0.09 0.00 0.00 178.44 179.89 1nmm h GLU 116 N 0.00 0.13 0.00 1.13 4.57 -1.96 -1.14 114.58 117.31 1nmm h GLU 116 Ca -0.02 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1nmm h GLU 116 Cb 1.61 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.17 1nmm h GLU 116 CO 0.10 0.08 -0.01 -0.56 -1.18 0.00 0.00 179.01 177.45 1nmm h GLN 117 N 0.13 0.00 -0.05 1.92 3.07 -1.98 -2.06 115.11 116.13 1nmm h GLN 117 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1nmm h GLN 117 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1nmm h GLN 117 CO -0.01 0.01 0.00 0.91 0.09 0.00 0.00 178.83 179.82 1nmm n TRP 118 N -3.49 0.06 -2.50 0.06 7.02 -0.43 -4.88 117.44 113.28 1nmm n TRP 118 Ca -0.03 -0.03 -0.40 0.00 -1.02 0.00 0.00 57.50 56.02 1nmm n TRP 118 Cb 0.09 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 1nmm n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nmm s ARG 119 N -1.94 4.65 -0.24 -0.99 3.52 -0.78 -4.81 118.95 118.37 1nmm s ARG 119 Ca 0.36 1.77 -0.25 0.00 -0.13 0.00 0.00 55.73 57.48 1nmm s ARG 119 Cb 0.18 -3.21 -0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1nmm s ARG 119 CO 0.29 0.22 0.85 0.00 -0.81 0.00 0.00 175.30 175.85 1nmm h GLU 121 N 7.64 -0.01 -2.31 0.00 4.39 -1.97 -3.47 114.58 118.86 1nmm h GLU 121 Ca -0.23 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.18 1nmm h GLU 121 Cb 1.09 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1nmm h GLU 121 CO 0.88 0.82 -0.03 1.17 -1.16 0.00 0.00 179.01 180.69 1nmm n LYS 122 N -4.68 0.00 0.00 2.33 0.00 -1.26 -5.24 118.16 109.31 1nmm n LYS 122 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 1nmm n LYS 122 Cb 0.40 -0.53 0.00 0.00 0.00 0.00 0.00 35.03 34.90 1nmm n LYS 122 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10