#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 n ARG 2 N 0.00 0.00 -3.86 0.03 0.00 -1.26 -5.10 116.66 106.47 1nr3 n ARG 2 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1nr3 n ARG 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1nr3 s GLU 3 N -2.00 3.92 -0.07 -0.14 1.03 -1.26 -4.88 118.70 115.30 1nr3 s GLU 3 Ca 0.00 -0.36 0.00 0.00 0.03 0.00 0.00 54.97 54.64 1nr3 s GLU 3 Cb 0.00 -3.33 0.01 0.00 -0.80 0.00 0.00 34.13 30.01 1nr3 s GLU 3 CO 0.00 0.10 0.63 2.89 -1.33 0.00 0.00 175.26 177.55 1nr3 n ARG 4 N 4.09 0.03 -1.98 -4.83 1.85 -1.26 -5.10 116.66 109.45 1nr3 n ARG 4 Ca -0.16 -0.13 -0.06 0.00 -1.00 0.00 0.00 57.85 56.50 1nr3 n ARG 4 Cb 0.52 0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nr3 n GLY 5 N -0.13 2.91 0.00 2.89 0.00 -1.25 -2.71 105.19 106.89 1nr3 n GLY 5 Ca -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1nr3 n GLY 5 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nr3 n TRP 6 N -0.83 0.00 -4.03 1.61 8.01 -1.26 -4.50 117.44 116.44 1nr3 n TRP 6 Ca -0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.81 1nr3 n TRP 6 Cb 0.14 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1nr3 n SER 7 N -0.83 -2.83 -3.72 -0.99 2.88 -1.26 -1.21 113.62 105.66 1nr3 n SER 7 Ca 0.00 -1.09 -0.29 0.00 -1.33 0.00 0.00 58.87 56.16 1nr3 n SER 7 Cb 0.00 -1.31 0.01 0.00 -0.75 0.00 0.00 64.21 62.16 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nr3 n GLN 8 N -4.34 -1.65 0.00 -1.46 7.27 -1.26 -4.93 117.38 111.01 1nr3 n GLN 8 Ca -0.11 0.93 0.00 0.00 0.07 0.00 0.00 57.00 57.88 1nr3 n GLN 8 Cb 0.48 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nr3 n LYS 9 N -1.96 0.00 0.00 3.69 4.76 -0.35 -4.95 118.16 119.36 1nr3 n LYS 9 Ca -0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1nr3 n LYS 9 Cb 0.70 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nr3 n LYS 10 N -0.48 0.00 -0.15 1.97 3.00 -1.26 -4.84 118.16 116.39 1nr3 n LYS 10 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1nr3 n LYS 10 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nr3 n ILE 11 N -1.14 0.44 -0.42 3.15 5.41 -1.26 -4.19 119.36 121.34 1nr3 n ILE 11 Ca 0.00 -0.30 0.34 0.00 1.00 0.00 0.00 62.75 63.79 1nr3 n ILE 11 Cb 0.00 -0.08 0.63 0.00 -0.71 0.00 0.00 39.64 39.48 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 h ALA 12 N 3.05 2.70 0.41 -1.39 0.00 -1.92 0.36 119.26 122.48 1nr3 h ALA 12 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nr3 h ALA 12 Cb 0.50 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nr3 h ALA 12 CO 0.05 -1.26 -0.43 -0.09 0.00 0.00 0.00 179.25 177.51 1nr3 h ARG 13 N 0.14 -0.83 0.00 0.00 1.12 -1.98 0.45 114.38 113.28 1nr3 h ARG 13 Ca 0.76 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.68 1nr3 h ARG 13 Cb 2.38 0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 32.52 1nr3 h ARG 13 CO -0.34 -0.56 -0.02 1.49 -3.11 0.00 0.00 179.97 177.43 1nr3 h GLU 14 N -0.87 0.00 0.36 0.20 4.81 -0.69 -1.57 114.58 116.81 1nr3 h GLU 14 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1nr3 h GLU 14 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1nr3 h GLU 14 CO -0.08 0.02 -0.17 -0.07 -0.73 0.00 0.00 179.01 177.99 1nr3 h LEU 15 N 0.00 -0.40 -1.47 1.64 4.07 0.10 -1.70 115.31 117.55 1nr3 h LEU 15 Ca -0.00 -0.15 0.19 0.00 0.08 0.00 0.00 57.88 57.99 1nr3 h LEU 15 Cb 0.05 0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 1nr3 h LEU 15 CO 0.00 0.01 0.58 0.11 -1.08 0.00 0.00 178.44 178.07 1nr3 h LYS 16 N -0.92 0.45 0.00 1.13 6.56 0.29 0.85 116.57 124.94 1nr3 h LYS 16 Ca -0.05 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.44 1nr3 h LYS 16 Cb 0.53 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1nr3 h LYS 16 CO 0.08 0.30 -0.35 1.15 -2.06 0.00 0.00 179.45 178.57 1nr3 h THR 17 N 0.46 0.96 -3.98 -0.16 2.02 -1.17 -3.44 112.91 107.61 1nr3 h THR 17 Ca 0.46 -1.32 -0.44 0.00 0.77 0.00 0.00 66.41 65.87 1nr3 h THR 17 Cb 1.05 1.78 0.16 0.00 -1.74 0.00 0.00 68.15 69.41 1nr3 h THR 17 CO -0.18 0.34 0.37 0.28 0.37 0.00 0.00 175.52 176.70 1nr3 s THR 18 N -3.86 1.93 0.00 3.16 -1.32 0.30 -4.94 115.64 110.90 1nr3 s THR 18 Ca -0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1nr3 s THR 18 Cb 0.12 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1nr3 s THR 18 CO 0.68 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.98 1nr3 n ARG 19 N -3.91 0.00 -3.36 7.08 1.85 -1.26 -4.98 116.66 112.08 1nr3 n ARG 19 Ca 0.14 0.36 -0.26 0.00 -1.00 0.00 0.00 57.85 57.09 1nr3 n ARG 19 Cb 0.60 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.93 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1nr3 n GLN 20 N 0.79 2.07 -2.31 2.89 -0.06 -1.26 -4.82 117.38 114.68 1nr3 n GLN 20 Ca 0.00 -4.30 -0.21 0.00 -2.00 0.00 0.00 57.00 50.49 1nr3 n GLN 20 Cb 0.00 -1.99 -0.02 0.00 -4.06 0.00 0.00 30.24 24.17 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1nr3 n ASN 21 N 0.98 -5.89 0.00 1.69 3.02 -1.26 -4.92 115.26 108.88 1nr3 n ASN 21 Ca 0.28 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1nr3 n ASN 21 Cb 0.44 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1nr3 n VAL 22 N -3.83 0.00 0.07 2.41 0.31 -1.26 -4.94 118.33 111.08 1nr3 n VAL 22 Ca -0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 1nr3 n VAL 22 Cb 0.69 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.59 1nr3 n VAL 22 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1nr3 h SER 23 N 0.00 -0.50 -7.00 4.52 0.02 -1.97 -3.45 113.55 105.16 1nr3 h SER 23 Ca 0.00 0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 60.41 1nr3 h SER 23 Cb 0.00 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 1nr3 h SER 23 CO 0.00 -0.20 -0.96 0.00 -1.14 0.00 0.00 176.83 174.52 1nr3 n ALA 24 N -2.53 -2.35 0.09 3.77 0.00 -1.26 -4.79 120.51 113.43 1nr3 n ALA 24 Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 1nr3 n ALA 24 Cb 0.15 -1.87 0.22 0.00 0.00 0.00 0.00 19.45 17.94 1nr3 n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nr3 h ILE 25 N -2.20 1.31 -0.50 0.00 2.04 -1.95 -1.78 117.51 114.42 1nr3 h ILE 25 Ca -0.67 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 63.59 1nr3 h ILE 25 Cb 1.35 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1nr3 h ILE 25 CO 0.56 0.46 0.02 1.05 0.00 0.00 0.00 178.15 180.24 1nr3 h GLU 26 N 0.22 0.88 0.66 2.37 4.11 -1.97 0.48 114.58 121.33 1nr3 h GLU 26 Ca 0.02 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 59.15 1nr3 h GLU 26 Cb 0.82 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1nr3 h GLU 26 CO 0.06 0.90 -0.32 0.00 0.07 0.00 0.00 179.01 179.73 1nr3 h ARG 27 N 0.75 -0.86 -0.80 1.06 2.47 -1.87 0.29 114.38 115.41 1nr3 h ARG 27 Ca 0.14 0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.98 1nr3 h ARG 27 Cb 0.50 0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 1nr3 h ARG 27 CO 0.02 -0.54 0.49 1.57 0.56 0.00 0.00 179.97 182.06 1nr3 h LYS 28 N -1.16 0.86 0.39 0.04 2.10 -1.36 0.30 116.57 117.75 1nr3 h LYS 28 Ca -0.09 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1nr3 h LYS 28 Cb 0.71 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1nr3 h LYS 28 CO 0.15 0.57 -0.21 0.00 -2.00 0.00 0.00 179.45 177.96 1nr3 h ALA 29 N 1.39 -1.12 0.00 0.07 0.00 0.02 -1.88 119.26 117.74 1nr3 h ALA 29 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nr3 h ALA 29 Cb 0.17 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nr3 h ALA 29 CO -0.17 -1.09 0.18 1.98 0.00 0.00 0.00 179.25 180.15 1nr3 h MET 30 N -0.55 0.00 -2.17 0.00 4.05 -0.23 -0.45 114.93 115.59 1nr3 h MET 30 Ca -0.05 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 1nr3 h MET 30 Cb 0.43 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1nr3 h MET 30 CO 0.08 0.00 -0.12 0.39 0.23 0.00 0.00 176.91 177.49 1nr3 n GLU 31 N -2.33 1.28 -3.30 0.39 -0.58 0.10 -4.56 120.64 111.64 1nr3 n GLU 31 Ca -0.01 -0.53 -0.22 0.00 -0.42 0.00 0.00 57.16 55.98 1nr3 n GLU 31 Cb 0.22 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nr3 n ASN 32 N 2.32 -3.58 -4.42 1.62 3.02 -1.13 -4.89 115.26 108.20 1nr3 n ASN 32 Ca 0.23 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.15 1nr3 n ASN 32 Cb 0.60 -2.98 0.25 0.00 -0.61 0.00 0.00 39.78 37.04 1nr3 n ASN 32 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1nr3 s ILE 33 N -2.88 1.94 -0.00 2.41 2.07 -0.19 -4.98 121.20 119.56 1nr3 s ILE 33 Ca 0.37 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1nr3 s ILE 33 Cb -0.20 -2.11 0.00 0.00 0.13 0.00 0.00 42.46 40.29 1nr3 s ILE 33 CO 0.45 0.00 0.47 1.21 -1.91 0.00 0.00 174.94 175.16 1nr3 n GLU 34 N -4.95 0.01 -3.74 3.50 2.13 -1.26 -5.00 120.64 111.34 1nr3 n GLU 34 Ca 0.03 -0.01 -0.33 0.00 0.66 0.00 0.00 57.16 57.51 1nr3 n GLU 34 Cb 0.55 0.04 0.04 0.00 0.27 0.00 0.00 31.44 32.34 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nr3 n LYS 35 N -0.01 -1.06 -0.01 5.31 4.81 -1.26 -4.90 118.16 121.05 1nr3 n LYS 35 Ca -0.00 0.43 -0.01 0.00 -0.87 0.00 0.00 58.31 57.86 1nr3 n LYS 35 Cb 0.48 -3.82 -0.01 0.00 0.02 0.00 0.00 35.03 31.71 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nr3 n SER 36 N -2.56 3.80 -0.03 3.14 7.64 -1.26 -4.86 113.62 119.49 1nr3 n SER 36 Ca -0.10 -0.01 -0.00 0.00 1.01 0.00 0.00 58.87 59.77 1nr3 n SER 36 Cb 0.59 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1nr3 n SER 36 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nr3 h ARG 37 N -0.00 0.00 -2.82 1.43 3.08 -2.02 -3.49 114.38 110.56 1nr3 h ARG 37 Ca -0.04 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1nr3 h ARG 37 Cb 1.06 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.16 1nr3 h ARG 37 CO -0.01 0.00 -0.23 0.09 -1.07 0.00 0.00 179.97 178.75 1nr3 n ASN 38 N -3.72 -2.78 0.00 7.04 3.02 -1.26 -4.97 115.26 112.59 1nr3 n ASN 38 Ca -0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1nr3 n ASN 38 Cb 0.01 -1.96 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1nr3 n THR 39 N -2.72 0.00 0.29 3.41 -1.04 -1.26 -1.32 114.28 111.65 1nr3 n THR 39 Ca -0.04 0.14 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 1nr3 n THR 39 Cb 0.53 -0.45 0.67 0.00 -1.82 0.00 0.00 70.33 69.27 1nr3 n THR 39 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1nr3 h LEU 40 N 0.00 0.00 0.01 -4.42 -0.00 -1.95 0.22 115.31 109.17 1nr3 h LEU 40 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1nr3 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1nr3 h LEU 40 CO 0.00 0.00 -0.00 -0.78 -0.00 0.00 0.00 178.44 177.66 1nr3 h ASP 41 N 0.00 -0.01 -1.01 0.17 1.82 -1.90 0.79 116.42 116.28 1nr3 h ASP 41 Ca 0.04 -0.60 0.22 0.00 -0.39 0.00 0.00 57.03 56.30 1nr3 h ASP 41 Cb 0.99 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.89 1nr3 h ASP 41 CO -0.00 0.78 0.61 0.15 -1.61 0.00 0.00 179.24 179.17 1nr3 h PHE 42 N -0.99 0.96 0.19 0.28 3.57 0.72 0.36 116.94 122.04 1nr3 h PHE 42 Ca -0.00 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 1nr3 h PHE 42 Cb 0.61 -0.28 0.03 0.00 2.79 0.00 0.00 35.95 39.09 1nr3 h PHE 42 CO 0.17 0.14 -1.20 -0.24 -2.23 0.00 0.00 178.31 174.94 1nr3 h VAL 43 N 0.62 1.35 -1.02 1.41 3.04 -1.38 -3.23 116.25 117.04 1nr3 h VAL 43 Ca 0.60 -2.60 0.30 0.00 -1.01 0.00 0.00 66.70 63.99 1nr3 h VAL 43 Cb 1.13 3.08 -0.04 0.00 -2.01 0.00 0.00 31.29 33.45 1nr3 h VAL 43 CO -0.39 0.77 0.75 0.11 -1.01 0.00 0.00 177.57 177.79 1nr3 h LYS 44 N -0.11 0.00 -0.12 4.17 1.79 0.11 1.08 116.57 123.49 1nr3 h LYS 44 Ca -0.22 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1nr3 h LYS 44 Cb 1.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.56 1nr3 h LYS 44 CO 0.20 0.00 0.29 1.03 -1.08 0.00 0.00 179.45 179.90 1nr3 h SER 45 N 0.00 0.00 -0.08 0.86 0.87 -1.07 1.60 113.55 115.73 1nr3 h SER 45 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1nr3 h SER 45 Cb 1.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 1nr3 h SER 45 CO -0.01 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.47 1nr3 n LEU 46 N -3.26 0.63 -0.33 2.23 4.77 0.37 -3.97 117.00 117.44 1nr3 n LEU 46 Ca 0.01 -0.28 0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1nr3 n LEU 46 Cb 0.39 -0.05 0.39 0.00 -2.33 0.00 0.00 43.42 41.81 1nr3 n LEU 46 CO 0.20 0.14 1.13 0.11 -1.33 0.00 0.00 177.39 177.63 1nr3 h LYS 47 N 0.79 0.47 0.00 3.23 1.79 0.22 -3.47 116.57 119.61 1nr3 h LYS 47 Ca 0.00 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1nr3 h LYS 47 Cb 0.18 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1nr3 h LYS 47 CO 0.00 0.31 -0.01 0.45 -1.08 0.00 0.00 179.45 179.13 1nr3 n SER 48 N -4.96 -0.19 -4.69 0.86 2.88 -1.26 -4.81 113.62 101.46 1nr3 n SER 48 Ca 0.27 0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.41 1nr3 n SER 48 Cb 0.78 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 64.14 1nr3 n SER 48 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nr3 s PRO 49 N -0.69 4.34 0.15 -1.46 0.04 -0.75 -4.17 135.00 132.47 1nr3 s PRO 49 Ca 0.00 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1nr3 s PRO 49 Cb 0.00 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1nr3 s PRO 49 CO 0.00 -0.46 -0.05 0.08 0.04 0.00 0.00 177.00 176.61 1nr3 s VAL 50 N 2.23 0.89 -0.23 -0.36 1.01 0.17 -4.94 120.40 119.17 1nr3 s VAL 50 Ca 0.57 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.38 1nr3 s VAL 50 Cb -0.25 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1nr3 s VAL 50 CO 0.22 -0.64 0.58 -0.60 0.00 0.00 0.00 175.10 174.67 1nr3 s ARG 51 N -3.83 0.63 -0.05 2.72 6.06 -1.26 -0.42 118.95 122.79 1nr3 s ARG 51 Ca 0.19 0.94 -0.19 0.00 -2.50 0.00 0.00 55.73 54.17 1nr3 s ARG 51 Cb 0.05 0.20 0.04 0.00 0.06 0.00 0.00 34.95 35.29 1nr3 s ARG 51 CO 0.01 -0.12 0.43 0.96 -2.50 0.00 0.00 175.30 174.09 1nr3 s ILE 52 N 0.96 0.03 0.04 4.11 -4.36 -0.36 -4.78 121.20 116.83 1nr3 s ILE 52 Ca -0.05 -0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1nr3 s ILE 52 Cb -0.05 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 1nr3 s ILE 52 CO -0.08 -0.15 0.16 -0.22 0.24 0.00 0.00 174.94 174.88 1nr3 s LEU 53 N -1.08 4.20 -0.09 0.37 0.20 -1.26 -0.86 118.68 120.16 1nr3 s LEU 53 Ca -0.11 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 54.91 1nr3 s LEU 53 Cb -0.04 -2.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.00 1nr3 s LEU 53 CO 0.05 0.21 -0.00 0.00 -0.29 0.00 0.00 176.35 176.32 1nr3 n ARG 55 N 2.19 1.45 -1.65 0.00 5.12 -1.26 -1.44 116.66 121.07 1nr3 n ARG 55 Ca -0.19 -1.60 -0.49 0.00 -1.93 0.00 0.00 57.85 53.65 1nr3 n ARG 55 Cb 0.54 0.44 -0.05 0.00 -1.16 0.00 0.00 32.46 32.23 1nr3 n ARG 55 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1nr3 n ARG 56 N -0.54 1.75 0.09 5.56 1.85 -1.26 -4.51 116.66 119.60 1nr3 n ARG 56 Ca -0.09 0.63 0.20 0.00 -1.00 0.00 0.00 57.85 57.60 1nr3 n ARG 56 Cb 0.28 -2.37 0.70 0.00 -1.05 0.00 0.00 32.46 30.02 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nr3 h GLY 57 N 5.92 0.00 1.99 2.89 0.00 -1.85 0.91 103.07 112.93 1nr3 h GLY 57 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1nr3 h GLY 57 CO 0.86 0.00 -0.12 -1.80 0.00 0.00 0.00 176.54 175.48 1nr3 h ASP 58 N 0.00 0.01 -0.41 0.19 1.82 -1.91 -0.64 116.42 115.47 1nr3 h ASP 58 Ca 0.20 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1nr3 h ASP 58 Cb 1.29 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1nr3 h ASP 58 CO -0.00 0.13 0.00 1.07 -1.61 0.00 0.00 179.24 178.83 1nr3 n THR 59 N -4.39 0.75 -0.34 2.25 5.66 0.31 -4.51 114.28 114.01 1nr3 n THR 59 Ca -0.03 -0.87 0.15 0.00 -3.05 0.00 0.00 64.05 60.26 1nr3 n THR 59 Cb 0.20 0.72 0.35 0.00 -1.55 0.00 0.00 70.33 70.05 1nr3 n THR 59 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1nr3 h LEU 60 N 3.25 0.65 -0.14 1.09 5.85 -0.41 2.47 115.31 128.08 1nr3 h LEU 60 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1nr3 h LEU 60 Cb 0.83 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1nr3 h LEU 60 CO 0.00 0.13 0.01 -2.24 -0.34 0.00 0.00 178.44 176.00 1nr3 h ASP 61 N 0.60 -0.03 -0.15 1.25 2.03 -1.79 0.13 116.42 118.45 1nr3 h ASP 61 Ca 0.61 0.03 -0.22 0.00 -0.73 0.00 0.00 57.03 56.72 1nr3 h ASP 61 Cb 1.11 0.05 0.01 0.00 -0.83 0.00 0.00 39.33 39.66 1nr3 h ASP 61 CO -0.46 0.00 -0.77 -0.08 -1.03 0.00 0.00 179.24 176.91 1nr3 h GLU 62 N 0.06 0.79 -0.23 4.15 4.22 -0.78 -2.95 114.58 119.85 1nr3 h GLU 62 Ca 0.06 -0.65 0.07 0.00 0.08 0.00 0.00 59.36 58.92 1nr3 h GLU 62 Cb 0.07 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nr3 h GLU 62 CO -0.10 1.25 0.20 0.97 -2.18 0.00 0.00 179.01 179.16 1nr3 h ILE 63 N 0.53 0.63 -0.01 2.32 -0.00 0.44 -0.27 117.51 121.15 1nr3 h ILE 63 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1nr3 h ILE 63 Cb 1.40 0.85 -0.00 0.00 -0.00 0.00 0.00 36.82 39.07 1nr3 h ILE 63 CO 0.16 0.00 0.00 0.40 -0.00 0.00 0.00 178.15 178.71 1nr3 h ILE 64 N 0.00 1.15 -0.26 2.19 2.04 -0.57 0.94 117.51 123.01 1nr3 h ILE 64 Ca 0.11 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1nr3 h ILE 64 Cb 0.51 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1nr3 h ILE 64 CO -0.00 0.12 -0.00 0.07 0.00 0.00 0.00 178.15 178.33 1nr3 h LYS 65 N -0.18 0.38 -0.03 2.37 2.10 -1.14 -0.47 116.57 119.60 1nr3 h LYS 65 Ca 0.00 -0.07 -0.20 0.00 -2.00 0.00 0.00 60.65 58.38 1nr3 h LYS 65 Cb 0.19 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1nr3 h LYS 65 CO -0.00 0.41 -0.84 0.00 -2.00 0.00 0.00 179.45 177.02 1nr3 h ARG 66 N 0.37 0.35 0.02 0.07 2.47 -0.77 -3.12 114.38 113.78 1nr3 h ARG 66 Ca 0.08 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1nr3 h ARG 66 Cb 0.25 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1nr3 h ARG 66 CO 0.01 1.01 -0.01 -0.07 0.56 0.00 0.00 179.97 181.47 1nr3 h LEU 67 N 0.22 -0.02 -0.81 3.04 3.38 0.18 -2.82 115.31 118.47 1nr3 h LEU 67 Ca -0.05 -0.25 0.20 0.00 0.09 0.00 0.00 57.88 57.87 1nr3 h LEU 67 Cb 1.45 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 42.08 1nr3 h LEU 67 CO 0.14 0.24 0.18 0.17 0.09 0.00 0.00 178.44 179.26 1nr3 h LEU 68 N -0.29 -0.04 -2.58 1.67 8.10 -1.16 2.22 115.31 123.24 1nr3 h LEU 68 Ca -0.00 0.18 0.01 0.00 0.11 0.00 0.00 57.88 58.17 1nr3 h LEU 68 Cb 0.27 0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1nr3 h LEU 68 CO 0.00 -0.11 0.05 -0.33 -4.11 0.00 0.00 178.44 173.95 1nr3 h GLU 69 N 0.22 0.00 0.09 0.17 5.08 -1.44 2.65 114.58 121.35 1nr3 h GLU 69 Ca 0.48 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.47 1nr3 h GLU 69 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1nr3 h GLU 69 CO -0.60 0.00 -2.10 0.39 -1.00 0.00 0.00 179.01 175.70 1nr3 n GLU 70 N -3.53 0.73 -0.03 2.33 -0.58 0.68 -3.95 120.64 116.29 1nr3 n GLU 70 Ca -0.02 0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.94 1nr3 n GLU 70 Cb 0.14 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.34 1nr3 n GLU 70 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1nr3 h SER 71 N 0.02 0.00 -1.59 1.62 0.02 0.15 -3.37 113.55 110.40 1nr3 h SER 71 Ca -0.46 0.00 0.51 0.00 -0.84 0.00 0.00 61.79 61.00 1nr3 h SER 71 Cb 1.98 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.40 1nr3 h SER 71 CO 0.04 0.36 1.07 -3.20 -1.14 0.00 0.00 176.83 173.95 1nr3 n ASN 72 N -3.38 0.14 -0.11 3.07 5.15 0.88 0.20 115.26 121.21 1nr3 n ASN 72 Ca -0.03 1.24 -0.05 0.00 -0.60 0.00 0.00 54.58 55.14 1nr3 n ASN 72 Cb 0.12 -0.61 0.01 0.00 -0.53 0.00 0.00 39.78 38.77 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1nr3 h LYS 73 N 0.00 -0.02 -0.38 1.20 3.11 -1.56 -1.65 116.57 117.27 1nr3 h LYS 73 Ca 0.90 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.74 1nr3 h LYS 73 Cb 3.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 34.40 1nr3 h LYS 73 CO -0.31 -0.01 0.00 -0.85 -2.81 0.00 0.00 179.45 175.47 1nr3 n GLU 74 N -5.31 3.09 -1.78 1.90 -0.00 0.54 -4.99 120.64 114.08 1nr3 n GLU 74 Ca 0.02 -2.52 0.00 0.00 -0.00 0.00 0.00 57.16 54.66 1nr3 n GLU 74 Cb 0.22 -1.62 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nr3 n GLY 75 N 0.27 4.47 3.92 -1.84 0.00 0.37 -5.03 105.19 107.34 1nr3 n GLY 75 Ca 0.18 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 1nr3 n GLY 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nr3 s ILE 76 N -1.12 5.04 -0.52 -0.61 1.10 -1.26 -4.69 121.20 119.14 1nr3 s ILE 76 Ca 0.00 -0.13 -0.26 0.00 -0.51 0.00 0.00 60.65 59.75 1nr3 s ILE 76 Cb 0.00 -3.81 -0.07 0.00 0.15 0.00 0.00 42.46 38.74 1nr3 s ILE 76 CO 0.00 -0.50 2.35 -2.28 -2.11 0.00 0.00 174.94 172.40 1nr3 s HIS 77 N -2.28 1.14 -0.02 3.50 2.46 -1.26 -4.65 115.29 114.18 1nr3 s HIS 77 Ca 0.43 1.50 0.02 0.00 0.47 0.00 0.00 55.06 57.48 1nr3 s HIS 77 Cb -0.10 -3.63 0.01 0.00 -0.13 0.00 0.00 32.58 28.72 1nr3 s HIS 77 CO 0.35 -2.46 -0.06 0.08 -2.47 0.00 0.00 174.74 170.18 1nr3 s VAL 78 N 12.00 0.53 -0.61 0.89 1.01 -1.26 -4.94 120.40 128.02 1nr3 s VAL 78 Ca 0.94 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1nr3 s VAL 78 Cb -0.16 -0.49 0.40 0.00 0.00 0.00 0.00 36.38 36.13 1nr3 s VAL 78 CO 0.25 0.18 1.62 2.30 0.00 0.00 0.00 175.10 179.44 1nr3 n ILE 79 N 3.35 3.06 -2.48 2.22 -5.35 -1.26 -4.94 119.36 113.96 1nr3 n ILE 79 Ca -0.18 -4.26 -0.26 0.00 -0.27 0.00 0.00 62.75 57.77 1nr3 n ILE 79 Cb 0.55 -1.22 0.02 0.00 -1.74 0.00 0.00 39.64 37.25 1nr3 n ILE 79 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1nr3 s HIS 80 N -3.80 3.31 0.36 4.28 3.76 -1.26 -4.46 115.29 117.48 1nr3 s HIS 80 Ca 0.53 0.65 0.07 0.00 -0.15 0.00 0.00 55.06 56.16 1nr3 s HIS 80 Cb 0.43 -2.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 1nr3 s HIS 80 CO -0.21 -0.68 0.36 -0.51 -0.85 0.00 0.00 174.74 172.84 1nr3 s ASP 81 N -4.26 5.35 0.43 1.40 -0.00 -1.26 -4.92 116.67 113.41 1nr3 s ASP 81 Ca 0.52 -0.51 0.15 0.00 -0.00 0.00 0.00 52.55 52.71 1nr3 s ASP 81 Cb -0.10 -0.89 0.95 0.00 -0.00 0.00 0.00 42.92 42.87 1nr3 s ASP 81 CO 0.45 -0.46 1.95 -1.28 -0.00 0.00 0.00 175.17 175.82 1nr3 h SER 82 N 1.10 0.00 0.02 0.27 0.87 -1.95 0.48 113.55 114.35 1nr3 h SER 82 Ca -0.44 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.89 1nr3 h SER 82 Cb 1.26 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1nr3 h SER 82 CO 0.56 0.24 -0.87 0.40 -0.53 0.00 0.00 176.83 176.63 1nr3 h ILE 83 N 0.00 1.31 -0.05 2.23 2.04 -1.90 -2.79 117.51 118.34 1nr3 h ILE 83 Ca -0.00 -2.14 -0.20 0.00 1.00 0.00 0.00 64.86 63.52 1nr3 h ILE 83 Cb 0.43 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1nr3 h ILE 83 CO 0.03 0.66 -0.81 0.74 0.00 0.00 0.00 178.15 178.77 1nr3 h THR 84 N 0.42 1.39 -0.91 -0.27 2.02 -1.61 -3.01 112.91 110.95 1nr3 h THR 84 Ca -0.08 -2.28 0.02 0.00 0.77 0.00 0.00 66.41 64.84 1nr3 h THR 84 Cb 1.50 2.24 -0.05 0.00 -1.74 0.00 0.00 68.15 70.10 1nr3 h THR 84 CO 0.17 0.68 0.60 -0.07 0.37 0.00 0.00 175.52 177.27 1nr3 h LEU 85 N 0.25 1.02 -0.31 2.58 4.07 -0.06 1.85 115.31 124.71 1nr3 h LEU 85 Ca -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1nr3 h LEU 85 Cb 1.41 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1nr3 h LEU 85 CO 0.14 0.72 0.18 0.00 -1.08 0.00 0.00 178.44 178.40 1nr3 h ALA 86 N 1.35 0.39 -0.01 1.53 0.00 -1.44 0.69 119.26 121.77 1nr3 h ALA 86 Ca 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nr3 h ALA 86 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1nr3 h ALA 86 CO -0.09 -0.10 -0.03 0.35 0.00 0.00 0.00 179.25 179.38 1nr3 h PHE 87 N 0.39 0.06 -0.08 0.00 3.57 -1.15 0.14 116.94 119.87 1nr3 h PHE 87 Ca 0.11 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1nr3 h PHE 87 Cb 0.03 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1nr3 h PHE 87 CO -0.04 0.61 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.48 1nr3 h LEU 88 N -0.51 -0.32 0.18 0.59 4.07 0.29 -2.43 115.31 117.18 1nr3 h LEU 88 Ca 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1nr3 h LEU 88 Cb 0.61 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1nr3 h LEU 88 CO 0.01 -0.14 -0.08 0.40 -1.08 0.00 0.00 178.44 177.54 1nr3 h ILE 89 N -0.14 0.85 -1.45 1.22 2.04 0.35 -2.06 117.51 118.32 1nr3 h ILE 89 Ca 0.07 -0.11 0.48 0.00 1.00 0.00 0.00 64.86 66.29 1nr3 h ILE 89 Cb 0.23 0.92 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 1nr3 h ILE 89 CO -0.16 0.03 0.97 0.54 0.00 0.00 0.00 178.15 179.52 1nr3 n ARG 90 N -5.17 -0.03 -0.04 2.37 1.74 0.50 0.43 116.66 116.46 1nr3 n ARG 90 Ca -0.09 1.16 -0.14 0.00 -0.77 0.00 0.00 57.85 58.01 1nr3 n ARG 90 Cb 0.14 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.13 1nr3 n ARG 90 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nr3 h GLU 91 N 0.00 0.31 -0.04 5.56 4.39 -0.91 0.41 114.58 124.30 1nr3 h GLU 91 Ca 0.85 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 60.34 1nr3 h GLU 91 Cb 2.92 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.60 1nr3 h GLU 91 CO -0.34 0.82 0.00 0.36 -1.16 0.00 0.00 179.01 178.68 1nr3 n LYS 92 N -4.52 1.67 -2.71 2.33 2.85 0.65 -4.57 118.16 113.86 1nr3 n LYS 92 Ca -0.08 -0.98 -0.01 0.00 -1.05 0.00 0.00 58.31 56.20 1nr3 n LYS 92 Cb 0.43 -1.47 0.02 0.00 -0.65 0.00 0.00 35.03 33.36 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 s ALA 93 N -1.96 -4.49 -1.39 0.58 0.00 1.45 -4.87 121.76 111.08 1nr3 s ALA 93 Ca 0.37 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.38 1nr3 s ALA 93 Cb 0.20 -3.00 0.65 0.00 0.00 0.00 0.00 23.12 20.98 1nr3 s ALA 93 CO 0.32 -2.52 1.35 0.43 0.00 0.00 0.00 175.76 175.34 1nr3 n SER 94 N 3.09 0.00 0.00 0.00 7.64 0.14 -3.10 113.62 121.40 1nr3 n SER 94 Ca 0.09 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1nr3 n SER 94 Cb 0.64 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nr3 n HIS 95 N -1.31 0.00 -1.97 1.43 8.25 -1.26 -4.85 115.22 115.50 1nr3 n HIS 95 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 1nr3 n HIS 95 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1nr3 n HIS 95 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nr3 s ARG 96 N -0.27 3.04 0.13 -0.41 1.04 -1.24 -4.95 118.95 116.29 1nr3 s ARG 96 Ca 0.00 1.20 0.04 0.00 -1.04 0.00 0.00 55.73 55.93 1nr3 s ARG 96 Cb 0.00 -4.28 -0.04 0.00 -2.04 0.00 0.00 34.95 28.59 1nr3 s ARG 96 CO 0.00 -2.21 -0.09 0.42 -0.04 0.00 0.00 175.30 173.38 1nr3 s ILE 97 N 7.91 1.03 -0.18 4.99 1.01 -1.26 -4.66 121.20 130.03 1nr3 s ILE 97 Ca 0.78 -2.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.38 1nr3 s ILE 97 Cb -0.19 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1nr3 s ILE 97 CO 0.29 -0.78 -0.06 0.54 0.00 0.00 0.00 174.94 174.94 1nr3 s VAL 98 N -3.38 3.44 0.20 2.92 0.11 -1.26 -5.00 120.40 117.42 1nr3 s VAL 98 Ca 0.15 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1nr3 s VAL 98 Cb 0.03 -2.52 0.03 0.00 -1.53 0.00 0.00 36.38 32.39 1nr3 s VAL 98 CO -0.01 0.46 0.25 1.41 -3.33 0.00 0.00 175.10 173.89 1nr3 n HIS 99 N 4.16 -2.55 -3.64 1.54 -0.00 -1.26 -4.40 115.22 109.07 1nr3 n HIS 99 Ca -0.18 -0.73 -0.04 0.00 -0.00 0.00 0.00 57.72 56.77 1nr3 n HIS 99 Cb 0.52 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.99 30.26 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1nr3 s ARG 100 N -2.88 0.48 0.12 -0.41 1.04 -1.26 -4.93 118.95 111.11 1nr3 s ARG 100 Ca 0.19 0.82 0.09 0.00 -1.04 0.00 0.00 55.73 55.80 1nr3 s ARG 100 Cb -0.02 0.10 -0.04 0.00 -2.04 0.00 0.00 34.95 32.95 1nr3 s ARG 100 CO 0.12 -0.10 -0.20 0.54 -0.04 0.00 0.00 175.30 175.62 1nr3 s VAL 101 N 1.40 2.69 -0.77 4.99 0.11 -1.26 -4.95 120.40 122.62 1nr3 s VAL 101 Ca -0.09 -1.57 0.03 0.00 -2.93 0.00 0.00 61.98 57.42 1nr3 s VAL 101 Cb -0.04 -2.22 0.19 0.00 -1.53 0.00 0.00 36.38 32.77 1nr3 s VAL 101 CO -0.16 0.10 0.59 0.54 -3.33 0.00 0.00 175.10 172.84 1nr3 s VAL 102 N -1.12 3.40 0.00 2.04 0.11 -1.26 -3.28 120.40 120.29 1nr3 s VAL 102 Ca 0.17 -4.12 0.00 0.00 -2.93 0.00 0.00 61.98 55.10 1nr3 s VAL 102 Cb -0.10 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1nr3 s VAL 102 CO 0.09 -1.03 0.00 1.17 -3.33 0.00 0.00 175.10 172.00 1nr3 n LYS 103 N 2.12 0.00 -4.38 1.54 0.00 -1.26 -4.77 118.16 111.41 1nr3 n LYS 103 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.30 1nr3 n LYS 103 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.30 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nr3 s SER 104 N -0.83 1.97 0.05 3.14 0.15 -1.26 -5.05 113.70 111.87 1nr3 s SER 104 Ca 0.00 -1.65 -0.22 0.00 0.70 0.00 0.00 55.95 54.78 1nr3 s SER 104 Cb 0.00 0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1nr3 s SER 104 CO 0.00 -0.95 0.65 -0.62 1.20 0.00 0.00 173.24 173.52 1nr3 s ASP 105 N -3.45 7.11 0.25 5.45 -1.08 -1.26 -4.45 116.67 119.24 1nr3 s ASP 105 Ca 0.33 1.32 0.02 0.00 -0.52 0.00 0.00 52.55 53.70 1nr3 s ASP 105 Cb 0.03 -2.41 -0.05 0.00 -1.46 0.00 0.00 42.92 39.04 1nr3 s ASP 105 CO 0.19 0.14 0.07 0.12 0.52 0.00 0.00 175.17 176.22 1nr3 s PHE 106 N -0.54 1.52 -0.14 -5.34 5.36 -0.52 -4.20 117.98 114.12 1nr3 s PHE 106 Ca 0.33 -1.13 -0.16 0.00 -0.96 0.00 0.00 56.93 55.01 1nr3 s PHE 106 Cb -0.20 -0.90 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1nr3 s PHE 106 CO 0.20 -0.28 0.44 -1.21 -1.46 0.00 0.00 175.22 172.92 1nr3 s GLU 107 N -4.00 0.57 -0.06 10.12 2.02 0.28 0.33 118.70 127.97 1nr3 s GLU 107 Ca 0.35 0.50 -0.07 0.00 0.02 0.00 0.00 54.97 55.77 1nr3 s GLU 107 Cb 0.08 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.60 1nr3 s GLU 107 CO 0.12 -0.09 0.19 0.42 0.02 0.00 0.00 175.26 175.92 1nr3 s ILE 108 N -0.04 0.02 0.29 -1.63 1.09 -0.04 -1.52 121.20 119.37 1nr3 s ILE 108 Ca -0.02 -0.16 -0.19 0.00 -1.10 0.00 0.00 60.65 59.17 1nr3 s ILE 108 Cb -0.03 -0.33 0.05 0.00 -1.06 0.00 0.00 42.46 41.09 1nr3 s ILE 108 CO 0.02 -0.09 0.85 -0.83 -0.10 0.00 0.00 174.94 174.78 1nr3 s GLY 109 N -0.27 0.13 0.18 6.18 0.00 -0.39 -1.22 107.32 111.94 1nr3 s GLY 109 Ca -0.04 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.09 1nr3 s GLY 109 CO 0.01 0.33 0.45 0.54 0.00 0.00 0.00 173.10 174.42 1nr3 s VAL 110 N -2.78 0.04 -0.05 1.40 0.11 0.43 -1.18 120.40 118.38 1nr3 s VAL 110 Ca 0.15 -0.95 0.07 0.00 -2.93 0.00 0.00 61.98 58.32 1nr3 s VAL 110 Cb -0.04 -1.64 -0.10 0.00 -1.53 0.00 0.00 36.38 33.07 1nr3 s VAL 110 CO 0.08 -0.18 0.07 0.35 -3.33 0.00 0.00 175.10 172.09 1nr3 n THR 111 N -0.30 0.32 0.00 5.04 -2.24 -1.25 0.42 114.28 116.27 1nr3 n THR 111 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1nr3 n THR 111 Cb 0.63 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1nr3 n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nr3 n ARG 112 N -2.09 0.00 0.00 -0.78 1.74 -1.26 -1.81 116.66 112.46 1nr3 n ARG 112 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1nr3 n ARG 112 Cb 0.55 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1nr3 n ARG 112 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nr3 n ASP 113 N -2.48 0.00 0.00 0.55 -0.08 -1.26 -4.49 116.55 108.78 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nr3 n GLY 114 N 0.00 -0.88 3.76 0.27 0.00 -1.26 -4.27 105.19 102.81 1nr3 n GLY 114 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1nr3 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nr3 s GLU 115 N -1.32 4.40 0.32 1.61 2.02 -1.26 -4.76 118.70 119.71 1nr3 s GLU 115 Ca 0.00 0.90 0.09 0.00 0.02 0.00 0.00 54.97 55.98 1nr3 s GLU 115 Cb 0.00 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1nr3 s GLU 115 CO 0.00 0.39 0.00 0.96 0.02 0.00 0.00 175.26 176.63 1nr3 s ILE 116 N -0.34 2.79 -0.01 -1.63 -5.25 -1.26 -3.86 121.20 111.64 1nr3 s ILE 116 Ca 0.34 -1.98 0.03 0.00 -0.99 0.00 0.00 60.65 58.05 1nr3 s ILE 116 Cb -0.20 -2.77 -0.01 0.00 2.95 0.00 0.00 42.46 42.43 1nr3 s ILE 116 CO 0.20 -0.25 -0.11 0.27 -1.79 0.00 0.00 174.94 173.27 1nr3 s ILE 117 N -2.48 0.86 0.05 8.37 -5.25 -0.32 -4.99 121.20 117.44 1nr3 s ILE 117 Ca 0.34 -0.46 0.01 0.00 -0.99 0.00 0.00 60.65 59.55 1nr3 s ILE 117 Cb -0.02 -0.72 -0.03 0.00 2.95 0.00 0.00 42.46 44.64 1nr3 s ILE 117 CO 0.19 0.25 -0.05 0.68 -1.79 0.00 0.00 174.94 174.22 1nr3 s VAL 118 N -0.22 0.38 0.20 8.37 -7.23 -1.26 -1.26 120.40 119.38 1nr3 s VAL 118 Ca 0.04 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.59 1nr3 s VAL 118 Cb -0.05 -0.96 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1nr3 s VAL 118 CO -0.00 -0.67 0.89 -0.62 -0.31 0.00 0.00 175.10 174.39 1nr3 s ASP 119 N -2.18 -0.18 -0.04 4.85 -1.08 -0.58 -4.95 116.67 112.52 1nr3 s ASP 119 Ca -0.03 -0.51 0.12 0.00 -0.52 0.00 0.00 52.55 51.61 1nr3 s ASP 119 Cb -0.02 0.57 0.36 0.00 -1.46 0.00 0.00 42.92 42.36 1nr3 s ASP 119 CO -0.04 -1.06 1.29 0.00 0.52 0.00 0.00 175.17 175.88 1nr3 n LEU 120 N -0.49 3.15 -1.64 -1.34 -0.00 -1.26 0.10 117.00 115.53 1nr3 n LEU 120 Ca -0.05 -2.24 0.00 0.00 -0.00 0.00 0.00 56.01 53.72 1nr3 n LEU 120 Cb 0.60 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1nr3 n LEU 120 CO 0.15 0.72 -0.48 -3.20 -0.00 0.00 0.00 177.39 174.58 1nr3 n ASN 121 N 0.27 -8.81 0.00 1.45 5.15 -1.26 -4.26 115.26 107.80 1nr3 n ASN 121 Ca 0.14 1.45 0.06 0.00 -0.60 0.00 0.00 54.58 55.63 1nr3 n ASN 121 Cb 0.53 -5.06 0.34 0.00 -0.53 0.00 0.00 39.78 35.07 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46