#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 s ARG 2 N 0.00 2.52 0.25 0.03 1.70 -1.26 -4.98 118.95 117.21 1nr3 s ARG 2 Ca 0.00 -1.22 0.09 0.00 -0.47 0.00 0.00 55.73 54.14 1nr3 s ARG 2 Cb 0.00 -2.63 -0.05 0.00 -0.57 0.00 0.00 34.95 31.70 1nr3 s ARG 2 CO 0.00 -0.64 -0.15 -1.21 -1.08 0.00 0.00 175.30 172.22 1nr3 s GLU 3 N -4.60 1.52 0.00 3.89 8.01 -1.26 -5.08 118.70 121.18 1nr3 s GLU 3 Ca 0.58 -1.70 0.00 0.00 0.01 0.00 0.00 54.97 53.86 1nr3 s GLU 3 Cb -0.09 -1.41 0.00 0.00 -4.31 0.00 0.00 34.13 28.32 1nr3 s GLU 3 CO 0.37 0.22 0.00 -2.13 0.01 0.00 0.00 175.26 173.73 1nr3 n ARG 4 N -0.52 0.00 0.19 1.61 0.63 -1.26 -5.06 116.66 112.24 1nr3 n ARG 4 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1nr3 n ARG 4 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nr3 n GLY 5 N 0.00 -1.15 2.41 5.14 0.00 -1.26 -4.91 105.19 105.41 1nr3 n GLY 5 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1nr3 n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1nr3 n TRP 6 N -3.41 2.55 -1.96 1.61 4.27 -1.26 -4.70 117.44 114.54 1nr3 n TRP 6 Ca 0.00 -2.46 -0.42 0.00 -3.89 0.00 0.00 57.50 50.74 1nr3 n TRP 6 Cb 0.00 -1.27 -0.00 0.00 -1.36 0.00 0.00 31.31 28.67 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1nr3 n SER 7 N -0.26 5.61 -3.72 -0.67 7.64 -1.26 -4.56 113.62 116.40 1nr3 n SER 7 Ca 0.51 -2.96 -0.28 0.00 1.01 0.00 0.00 58.87 57.16 1nr3 n SER 7 Cb 0.52 -1.53 0.03 0.00 -1.01 0.00 0.00 64.21 62.22 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1nr3 n GLN 8 N 4.21 -2.29 0.00 1.43 7.27 -1.26 -4.93 117.38 121.81 1nr3 n GLN 8 Ca 0.52 0.49 0.00 0.00 0.07 0.00 0.00 57.00 58.08 1nr3 n GLN 8 Cb 0.34 -4.47 0.00 0.00 2.41 0.00 0.00 30.24 28.52 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1nr3 n LYS 9 N -4.19 0.00 0.00 3.69 3.00 -1.26 -4.91 118.16 114.48 1nr3 n LYS 9 Ca -0.17 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1nr3 n LYS 9 Cb 0.63 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.52 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1nr3 n LYS 10 N -1.44 0.00 -0.12 1.64 3.00 -1.26 -4.87 118.16 115.11 1nr3 n LYS 10 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1nr3 n LYS 10 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 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 -0.44 0.34 -0.44 3.15 5.41 -1.26 -4.14 119.36 121.97 1nr3 n ILE 11 Ca 0.00 -0.24 0.38 0.00 1.00 0.00 0.00 62.75 63.89 1nr3 n ILE 11 Cb 0.00 -0.06 0.72 0.00 -0.71 0.00 0.00 39.64 39.58 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 3.03 3.11 0.59 -1.39 0.00 -1.91 0.29 119.26 122.99 1nr3 h ALA 12 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nr3 h ALA 12 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nr3 h ALA 12 CO 0.03 -1.57 -0.43 0.00 0.00 0.00 0.00 179.25 177.29 1nr3 h ARG 13 N 0.07 -0.95 -0.01 0.00 3.08 -1.96 0.44 114.38 115.05 1nr3 h ARG 13 Ca 0.71 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1nr3 h ARG 13 Cb 2.60 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 32.86 1nr3 h ARG 13 CO -0.13 -0.63 0.01 0.93 -1.07 0.00 0.00 179.97 179.07 1nr3 h GLU 14 N -0.98 0.00 -0.11 0.04 5.08 -0.81 -1.47 114.58 116.33 1nr3 h GLU 14 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1nr3 h GLU 14 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1nr3 h GLU 14 CO 0.03 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.86 1nr3 h LEU 15 N 0.00 0.29 -1.28 1.33 4.07 -0.36 -2.13 115.31 117.22 1nr3 h LEU 15 Ca 0.00 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.54 1nr3 h LEU 15 Cb 0.02 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 1nr3 h LEU 15 CO -0.00 0.72 0.52 0.11 -1.08 0.00 0.00 178.44 178.71 1nr3 h LYS 16 N -0.12 0.85 0.00 1.13 6.56 0.82 0.14 116.57 125.94 1nr3 h LYS 16 Ca 0.02 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 1nr3 h LYS 16 Cb 0.64 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1nr3 h LYS 16 CO 0.03 0.56 -0.34 1.15 -2.06 0.00 0.00 179.45 178.79 1nr3 h THR 17 N 0.87 1.13 -3.38 -0.16 2.02 -1.17 -3.41 112.91 108.81 1nr3 h THR 17 Ca 0.34 -1.21 -0.58 0.00 0.77 0.00 0.00 66.41 65.73 1nr3 h THR 17 Cb 0.22 1.67 -0.08 0.00 -1.74 0.00 0.00 68.15 68.23 1nr3 h THR 17 CO -0.12 0.33 0.05 0.28 0.37 0.00 0.00 175.52 176.44 1nr3 s THR 18 N -4.12 5.07 0.00 3.16 -1.32 0.49 -4.81 115.64 114.11 1nr3 s THR 18 Ca -0.02 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 1nr3 s THR 18 Cb 0.14 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 1nr3 s THR 18 CO 0.70 0.21 0.00 -1.14 -2.21 0.00 0.00 174.62 172.18 1nr3 n ARG 19 N 4.32 0.00 -1.00 7.08 0.63 -1.26 -4.88 116.66 121.55 1nr3 n ARG 19 Ca -0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 1nr3 n ARG 19 Cb 0.51 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.34 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nr3 n GLN 20 N 0.00 0.94 -2.85 -0.14 10.64 -1.26 -3.80 117.38 120.91 1nr3 n GLN 20 Ca 0.00 -1.59 -0.19 0.00 -1.83 0.00 0.00 57.00 53.39 1nr3 n GLN 20 Cb 0.00 -2.86 0.00 0.00 -0.86 0.00 0.00 30.24 26.52 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1nr3 n ASN 21 N 8.93 -4.50 -0.61 2.61 3.02 -1.26 -4.94 115.26 118.51 1nr3 n ASN 21 Ca 0.48 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1nr3 n ASN 21 Cb 0.42 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1nr3 n VAL 22 N -3.86 0.00 -0.28 2.41 3.14 -1.25 -4.94 118.33 113.55 1nr3 n VAL 22 Ca -0.11 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.22 1nr3 n VAL 22 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.37 1nr3 n VAL 22 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1nr3 h SER 23 N 0.00 -1.45 -6.88 6.55 0.02 -1.93 -3.44 113.55 106.42 1nr3 h SER 23 Ca 0.00 0.27 -0.57 0.00 -0.84 0.00 0.00 61.79 60.65 1nr3 h SER 23 Cb 0.00 0.71 -0.28 0.00 0.14 0.00 0.00 62.40 62.97 1nr3 h SER 23 CO 0.00 -0.30 -0.86 0.00 -1.14 0.00 0.00 176.83 174.53 1nr3 n ALA 24 N -3.27 -1.49 0.27 3.77 0.00 -1.26 -4.72 120.51 113.81 1nr3 n ALA 24 Ca 0.05 -0.28 0.16 0.00 0.00 0.00 0.00 53.44 53.37 1nr3 n ALA 24 Cb 0.36 -1.55 0.61 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.15 0.04 0.08 0.00 2.04 -1.95 -1.24 117.51 115.33 1nr3 h ILE 25 Ca -0.57 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1nr3 h ILE 25 Cb 1.27 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1nr3 h ILE 25 CO 0.74 0.01 -0.04 1.05 0.00 0.00 0.00 178.15 179.91 1nr3 h GLU 26 N 0.00 -0.11 -0.28 2.37 4.11 -1.98 0.41 114.58 119.10 1nr3 h GLU 26 Ca -0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 1nr3 h GLU 26 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1nr3 h GLU 26 CO 0.00 0.43 0.02 0.00 0.07 0.00 0.00 179.01 179.54 1nr3 h ARG 27 N -0.77 0.48 0.94 1.06 2.47 -1.92 -1.05 114.38 115.59 1nr3 h ARG 27 Ca -0.01 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.52 1nr3 h ARG 27 Cb 0.59 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1nr3 h ARG 27 CO 0.02 0.61 -0.45 -0.22 0.56 0.00 0.00 179.97 180.49 1nr3 h LYS 28 N 0.28 -1.22 -0.59 0.04 1.63 -1.32 0.36 116.57 115.75 1nr3 h LYS 28 Ca 0.08 0.08 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 1nr3 h LYS 28 Cb 0.38 0.28 -0.10 0.00 -0.60 0.00 0.00 32.23 32.18 1nr3 h LYS 28 CO 0.01 -0.81 -0.47 0.00 -3.45 0.00 0.00 179.45 174.73 1nr3 h ALA 29 N -1.38 -0.41 0.00 5.00 0.00 -0.93 1.45 119.26 122.99 1nr3 h ALA 29 Ca -0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nr3 h ALA 29 Cb 0.97 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1nr3 h ALA 29 CO 0.21 -0.87 -0.01 1.98 0.00 0.00 0.00 179.25 180.56 1nr3 h MET 30 N -0.24 0.00 -1.99 0.00 1.85 -1.10 -2.32 114.93 111.13 1nr3 h MET 30 Ca 0.16 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 59.11 1nr3 h MET 30 Cb 0.56 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.54 1nr3 h MET 30 CO -0.70 0.01 -0.21 0.39 -0.40 0.00 0.00 176.91 176.00 1nr3 n GLU 31 N -3.31 1.69 -3.39 0.39 -0.58 0.50 -4.66 120.64 111.29 1nr3 n GLU 31 Ca -0.03 -0.75 -0.22 0.00 -0.42 0.00 0.00 57.16 55.74 1nr3 n GLU 31 Cb 0.11 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 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 2.06 -2.64 -4.47 1.62 4.13 -1.10 -4.82 115.26 110.03 1nr3 n ASN 32 Ca 0.29 -0.35 -0.36 0.00 1.68 0.00 0.00 54.58 55.85 1nr3 n ASN 32 Cb 0.76 -2.25 0.08 0.00 -1.54 0.00 0.00 39.78 36.83 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nr3 n ILE 33 N -3.60 1.59 0.12 2.41 3.06 -0.89 -4.84 119.36 117.21 1nr3 n ILE 33 Ca 0.01 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 1nr3 n ILE 33 Cb 0.51 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 39.94 1nr3 n ILE 33 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1nr3 n GLU 34 N -0.98 0.00 -2.68 9.51 2.13 -1.26 -4.98 120.64 122.38 1nr3 n GLU 34 Ca 0.10 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.89 1nr3 n GLU 34 Cb 0.50 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.25 1nr3 n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1nr3 s LYS 35 N -1.87 0.21 0.00 5.31 2.20 -1.26 -5.08 119.74 119.25 1nr3 s LYS 35 Ca 0.00 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1nr3 s LYS 35 Cb 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1nr3 s LYS 35 CO 0.00 -0.26 0.00 0.43 -0.36 0.00 0.00 175.35 175.16 1nr3 n SER 36 N 2.65 0.00 -0.40 1.43 7.64 -1.26 -4.96 113.62 118.71 1nr3 n SER 36 Ca 0.11 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.92 1nr3 n SER 36 Cb 0.65 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nr3 n ARG 37 N -1.05 -0.35 -3.00 1.43 5.12 -1.26 -4.83 116.66 112.72 1nr3 n ARG 37 Ca 0.00 1.52 -0.12 0.00 -1.93 0.00 0.00 57.85 57.31 1nr3 n ARG 37 Cb 0.00 -2.24 0.06 0.00 -1.16 0.00 0.00 32.46 29.12 1nr3 n ARG 37 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nr3 n ASN 38 N -5.34 -2.88 0.00 0.55 3.02 -1.26 -4.95 115.26 104.40 1nr3 n ASN 38 Ca 0.05 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1nr3 n ASN 38 Cb 0.32 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -3.33 0.00 -0.16 3.41 -1.04 -1.26 -1.28 114.28 110.62 1nr3 n THR 39 Ca -0.13 0.22 0.29 0.00 -2.04 0.00 0.00 64.05 62.39 1nr3 n THR 39 Cb 0.59 -0.49 0.65 0.00 -1.82 0.00 0.00 70.33 69.25 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 0.37 -4.42 -0.00 -1.92 0.43 115.31 109.78 1nr3 h LEU 40 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 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 -0.18 -0.78 -0.00 0.00 0.00 178.44 177.48 1nr3 h ASP 41 N 0.00 -0.43 -0.94 0.17 1.82 -1.97 0.38 116.42 115.46 1nr3 h ASP 41 Ca 0.43 -0.14 0.19 0.00 -0.39 0.00 0.00 57.03 57.12 1nr3 h ASP 41 Cb 2.15 0.11 -0.08 0.00 0.68 0.00 0.00 39.33 42.19 1nr3 h ASP 41 CO -0.00 -0.02 0.60 0.15 -1.61 0.00 0.00 179.24 178.36 1nr3 h PHE 42 N -0.92 0.76 0.00 0.28 3.04 0.12 0.66 116.94 120.88 1nr3 h PHE 42 Ca -0.05 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 1nr3 h PHE 42 Cb 0.54 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1nr3 h PHE 42 CO 0.03 0.20 -0.46 -0.24 -2.02 0.00 0.00 178.31 175.82 1nr3 h VAL 43 N 0.57 0.76 -0.39 1.41 3.04 -1.23 -3.18 116.25 117.24 1nr3 h VAL 43 Ca 0.50 -2.08 -0.10 0.00 -1.01 0.00 0.00 66.70 64.02 1nr3 h VAL 43 Cb 1.01 2.37 -0.02 0.00 -2.01 0.00 0.00 31.29 32.64 1nr3 h VAL 43 CO -0.24 0.43 -0.15 0.11 -1.01 0.00 0.00 177.57 176.70 1nr3 h LYS 44 N 0.00 0.71 -0.79 4.17 1.79 0.47 -2.73 116.57 120.18 1nr3 h LYS 44 Ca -0.01 -0.24 0.13 0.00 -2.18 0.00 0.00 60.65 58.35 1nr3 h LYS 44 Cb 1.35 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 1nr3 h LYS 44 CO 0.06 0.82 0.38 1.03 -1.08 0.00 0.00 179.45 180.66 1nr3 h SER 45 N 0.63 0.45 -0.91 0.86 0.87 -1.11 -1.66 113.55 112.67 1nr3 h SER 45 Ca 0.10 0.09 0.12 0.00 -1.23 0.00 0.00 61.79 60.87 1nr3 h SER 45 Cb 0.62 0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.47 1nr3 h SER 45 CO 0.04 0.20 -0.42 0.18 -0.53 0.00 0.00 176.83 176.30 1nr3 n LEU 46 N -4.90 -0.73 -2.67 2.23 4.77 -1.03 -4.84 117.00 109.82 1nr3 n LEU 46 Ca 0.15 1.61 -0.09 0.00 -0.03 0.00 0.00 56.01 57.65 1nr3 n LEU 46 Cb 0.39 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1nr3 n LEU 46 CO 0.21 -1.40 0.06 1.17 -1.33 0.00 0.00 177.39 176.10 1nr3 n LYS 47 N -5.27 -1.43 -4.12 3.23 0.00 -0.63 -5.03 118.16 104.91 1nr3 n LYS 47 Ca 0.07 0.69 -0.35 0.00 0.00 0.00 0.00 58.31 58.71 1nr3 n LYS 47 Cb 0.32 -4.45 -0.08 0.00 0.00 0.00 0.00 35.03 30.82 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1nr3 s SER 48 N -3.17 5.78 0.70 3.14 0.01 -1.25 -4.79 113.70 114.11 1nr3 s SER 48 Ca 0.26 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.69 1nr3 s SER 48 Cb -0.03 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.46 1nr3 s SER 48 CO 0.51 0.37 1.06 -2.16 0.41 0.00 0.00 173.24 173.42 1nr3 s PRO 49 N -1.14 2.93 0.14 12.44 0.04 -1.04 -4.23 135.00 144.14 1nr3 s PRO 49 Ca 0.16 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1nr3 s PRO 49 Cb -0.12 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1nr3 s PRO 49 CO 0.06 -1.10 0.48 0.08 0.04 0.00 0.00 177.00 176.55 1nr3 s VAL 50 N -3.05 0.04 -0.22 -0.36 1.01 0.77 -4.95 120.40 113.64 1nr3 s VAL 50 Ca 0.58 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1nr3 s VAL 50 Cb -0.14 -1.10 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1nr3 s VAL 50 CO 0.55 -0.20 0.55 -0.60 0.00 0.00 0.00 175.10 175.40 1nr3 s ARG 51 N -3.78 0.55 -0.03 2.72 3.52 -1.26 -0.96 118.95 119.71 1nr3 s ARG 51 Ca 0.02 1.00 -0.12 0.00 -0.13 0.00 0.00 55.73 56.49 1nr3 s ARG 51 Cb 0.01 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 1nr3 s ARG 51 CO -0.12 -0.15 0.27 0.96 -0.81 0.00 0.00 175.30 175.44 1nr3 s ILE 52 N 1.48 0.05 -0.06 4.11 -4.36 0.48 -4.69 121.20 118.23 1nr3 s ILE 52 Ca -0.09 -0.44 -0.03 0.00 -0.26 0.00 0.00 60.65 59.82 1nr3 s ILE 52 Cb -0.07 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 1nr3 s ILE 52 CO -0.16 -0.24 0.10 -0.22 0.24 0.00 0.00 174.94 174.66 1nr3 s LEU 53 N -1.09 4.09 -0.12 0.37 0.20 -1.26 -0.50 118.68 120.37 1nr3 s LEU 53 Ca -0.12 0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.98 1nr3 s LEU 53 Cb -0.05 -2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 43.50 1nr3 s LEU 53 CO 0.03 0.34 -0.05 0.00 -0.29 0.00 0.00 176.35 176.38 1nr3 n ARG 55 N 2.94 1.56 -1.64 0.00 1.74 -1.26 -1.74 116.66 118.25 1nr3 n ARG 55 Ca -0.18 -1.12 -0.50 0.00 -0.77 0.00 0.00 57.85 55.28 1nr3 n ARG 55 Cb 0.53 0.27 -0.05 0.00 -1.02 0.00 0.00 32.46 32.19 1nr3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nr3 n ARG 56 N -0.47 1.62 -0.31 5.56 1.74 -1.26 -4.67 116.66 118.87 1nr3 n ARG 56 Ca -0.06 0.59 0.35 0.00 -0.77 0.00 0.00 57.85 57.96 1nr3 n ARG 56 Cb 0.20 -2.30 0.75 0.00 -1.02 0.00 0.00 32.46 30.08 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nr3 h GLY 57 N 5.91 0.00 1.88 -0.13 0.00 -1.86 1.35 103.07 110.22 1nr3 h GLY 57 Ca -0.47 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1nr3 h GLY 57 CO 0.86 0.00 0.05 -1.80 0.00 0.00 0.00 176.54 175.65 1nr3 h ASP 58 N 0.00 0.00 -0.40 0.19 3.58 -1.92 0.17 116.42 118.04 1nr3 h ASP 58 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1nr3 h ASP 58 Cb 2.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.27 1nr3 h ASP 58 CO -0.01 0.00 0.00 1.07 -2.88 0.00 0.00 179.24 177.42 1nr3 n THR 59 N -4.22 0.87 -0.33 2.25 5.66 0.46 -4.55 114.28 114.43 1nr3 n THR 59 Ca -0.02 -0.93 0.12 0.00 -3.05 0.00 0.00 64.05 60.17 1nr3 n THR 59 Cb 0.15 0.61 0.30 0.00 -1.55 0.00 0.00 70.33 69.83 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 2.71 0.60 -0.18 1.09 5.85 0.13 2.13 115.31 127.65 1nr3 h LEU 60 Ca 0.00 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1nr3 h LEU 60 Cb 0.78 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1nr3 h LEU 60 CO 0.00 0.18 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.02 1nr3 h ASP 61 N 0.62 -0.10 -0.20 1.25 3.04 -1.80 0.16 116.42 119.38 1nr3 h ASP 61 Ca 0.55 0.04 -0.20 0.00 -3.24 0.00 0.00 57.03 54.19 1nr3 h ASP 61 Cb 0.91 0.08 0.01 0.00 -1.04 0.00 0.00 39.33 39.30 1nr3 h ASP 61 CO -0.42 -0.03 -0.65 -0.08 -2.04 0.00 0.00 179.24 176.02 1nr3 h GLU 62 N 0.04 0.80 -0.65 4.15 4.81 -1.01 -2.98 114.58 119.73 1nr3 h GLU 62 Ca 0.08 -0.58 0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1nr3 h GLU 62 Cb 0.11 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1nr3 h GLU 62 CO -0.16 1.20 0.44 0.97 -0.73 0.00 0.00 179.01 180.74 1nr3 h ILE 63 N 0.54 0.82 -0.47 2.32 -0.00 0.37 0.11 117.51 121.20 1nr3 h ILE 63 Ca -0.02 -0.11 0.01 0.00 -0.00 0.00 0.00 64.86 64.73 1nr3 h ILE 63 Cb 1.27 0.46 -0.02 0.00 -0.00 0.00 0.00 36.82 38.52 1nr3 h ILE 63 CO 0.14 0.06 0.30 0.40 -0.00 0.00 0.00 178.15 179.05 1nr3 h ILE 64 N 0.33 1.10 -0.66 2.19 2.04 -0.53 1.15 117.51 123.13 1nr3 h ILE 64 Ca 0.31 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1nr3 h ILE 64 Cb 0.78 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1nr3 h ILE 64 CO -0.08 0.11 0.27 0.50 0.00 0.00 0.00 178.15 178.96 1nr3 h LYS 65 N 0.62 0.96 -0.09 2.37 3.64 -0.86 0.24 116.57 123.45 1nr3 h LYS 65 Ca 0.18 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 1nr3 h LYS 65 Cb -0.05 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1nr3 h LYS 65 CO -0.05 0.77 -0.72 0.00 -2.27 0.00 0.00 179.45 177.19 1nr3 h ARG 66 N 0.95 0.44 0.11 1.90 2.47 -0.40 -3.04 114.38 116.80 1nr3 h ARG 66 Ca 0.22 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1nr3 h ARG 66 Cb 0.17 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1nr3 h ARG 66 CO -0.02 0.98 -0.05 -0.07 0.56 0.00 0.00 179.97 181.37 1nr3 h LEU 67 N 0.30 -0.13 -0.78 3.04 3.38 0.20 -2.72 115.31 118.60 1nr3 h LEU 67 Ca -0.03 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 57.97 1nr3 h LEU 67 Cb 1.29 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.95 1nr3 h LEU 67 CO 0.12 0.08 0.15 0.17 0.09 0.00 0.00 178.44 179.05 1nr3 h LEU 68 N -0.33 -0.07 -2.43 1.67 8.10 -0.99 1.92 115.31 123.18 1nr3 h LEU 68 Ca -0.02 0.17 0.02 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 40.73 1nr3 h LEU 68 CO 0.03 -0.10 0.13 -0.33 -4.11 0.00 0.00 178.44 174.06 1nr3 h GLU 69 N 0.22 0.00 0.08 0.17 4.39 -1.37 2.44 114.58 120.51 1nr3 h GLU 69 Ca 0.45 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.78 1nr3 h GLU 69 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 1nr3 h GLU 69 CO -0.58 0.00 -2.09 0.39 -1.16 0.00 0.00 179.01 175.57 1nr3 n GLU 70 N -3.51 0.71 -0.03 2.33 -0.58 0.58 -4.00 120.64 116.15 1nr3 n GLU 70 Ca -0.01 0.26 -0.01 0.00 -0.42 0.00 0.00 57.16 56.98 1nr3 n GLU 70 Cb 0.22 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 -0.08 0.00 -1.87 1.62 0.02 0.16 -3.32 113.55 110.08 1nr3 h SER 71 Ca -0.47 0.00 0.55 0.00 -0.84 0.00 0.00 61.79 61.03 1nr3 h SER 71 Cb 1.92 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.38 1nr3 h SER 71 CO -0.00 0.29 1.34 -3.20 -1.14 0.00 0.00 176.83 174.12 1nr3 n ASN 72 N -3.24 0.02 0.21 3.07 5.15 0.81 0.21 115.26 121.48 1nr3 n ASN 72 Ca -0.02 0.99 -0.15 0.00 -0.60 0.00 0.00 54.58 54.80 1nr3 n ASN 72 Cb 0.08 -0.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.76 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1nr3 h LYS 73 N 0.00 -0.46 -0.45 1.20 1.57 -1.62 -2.75 116.57 114.07 1nr3 h LYS 73 Ca 0.91 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.72 1nr3 h LYS 73 Cb 3.59 0.10 0.00 0.00 0.08 0.00 0.00 32.23 36.00 1nr3 h LYS 73 CO -0.05 -0.25 0.00 -0.85 -0.57 0.00 0.00 179.45 177.73 1nr3 n GLU 74 N -5.26 2.25 -2.48 3.15 0.28 0.58 -4.92 120.64 114.23 1nr3 n GLU 74 Ca -0.10 -1.92 -0.05 0.00 -0.16 0.00 0.00 57.16 54.93 1nr3 n GLU 74 Cb 0.23 -1.45 -0.01 0.00 1.43 0.00 0.00 31.44 31.64 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nr3 n GLY 75 N 1.37 3.99 3.94 -1.84 0.00 0.56 -5.06 105.19 108.16 1nr3 n GLY 75 Ca 0.18 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.66 4.27 -0.67 -0.61 1.10 -1.26 -4.67 121.20 117.71 1nr3 s ILE 76 Ca 0.03 -0.31 -0.27 0.00 -0.51 0.00 0.00 60.65 59.58 1nr3 s ILE 76 Cb 0.00 -3.60 -0.12 0.00 0.15 0.00 0.00 42.46 38.89 1nr3 s ILE 76 CO 0.02 -0.47 2.48 1.57 -2.11 0.00 0.00 174.94 176.43 1nr3 n HIS 77 N -2.13 1.13 -4.23 3.50 -0.00 -1.26 -4.65 115.22 107.58 1nr3 n HIS 77 Ca 0.01 0.17 -0.18 0.00 0.46 0.00 0.00 57.72 58.18 1nr3 n HIS 77 Cb 0.57 -2.50 -0.15 0.00 -0.12 0.00 0.00 29.99 27.79 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1nr3 s VAL 78 N 11.23 0.53 -0.50 3.57 1.01 -1.26 -4.96 120.40 130.03 1nr3 s VAL 78 Ca 1.09 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1nr3 s VAL 78 Cb -0.47 -0.47 0.41 0.00 0.00 0.00 0.00 36.38 35.85 1nr3 s VAL 78 CO 0.32 0.17 1.30 2.30 0.00 0.00 0.00 175.10 179.18 1nr3 n ILE 79 N 3.14 2.63 -2.38 2.22 -5.35 -1.26 -4.85 119.36 113.51 1nr3 n ILE 79 Ca -0.16 -4.69 -0.26 0.00 -0.27 0.00 0.00 62.75 57.37 1nr3 n ILE 79 Cb 0.56 -1.25 0.04 0.00 -1.74 0.00 0.00 39.64 37.26 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 -3.65 3.09 0.46 4.28 3.76 -1.26 -4.40 115.29 117.58 1nr3 s HIS 80 Ca 0.49 0.49 0.07 0.00 -0.15 0.00 0.00 55.06 55.96 1nr3 s HIS 80 Cb 0.41 -2.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.22 1nr3 s HIS 80 CO -0.20 -1.01 0.37 -0.51 -0.85 0.00 0.00 174.74 172.54 1nr3 s ASP 81 N -4.39 4.80 0.32 1.40 1.01 -1.26 -4.90 116.67 113.65 1nr3 s ASP 81 Ca 0.56 -0.98 0.10 0.00 0.71 0.00 0.00 52.55 52.94 1nr3 s ASP 81 Cb -0.11 -0.19 0.52 0.00 1.01 0.00 0.00 42.92 44.15 1nr3 s ASP 81 CO 0.44 -0.81 1.72 0.28 0.21 0.00 0.00 175.17 177.01 1nr3 h SER 82 N 0.97 0.10 0.15 0.27 0.02 -1.94 0.16 113.55 113.29 1nr3 h SER 82 Ca -0.40 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 60.29 1nr3 h SER 82 Cb 1.28 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.79 1nr3 h SER 82 CO 0.59 0.54 -0.86 0.40 -1.14 0.00 0.00 176.83 176.36 1nr3 h ILE 83 N 0.08 1.35 -0.18 3.27 2.04 -1.96 -2.63 117.51 119.48 1nr3 h ILE 83 Ca 0.00 -2.22 -0.21 0.00 1.00 0.00 0.00 64.86 63.44 1nr3 h ILE 83 Cb 0.83 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1nr3 h ILE 83 CO 0.06 0.68 -0.70 0.74 0.00 0.00 0.00 178.15 178.93 1nr3 h THR 84 N 0.34 1.29 -0.90 -0.27 2.02 -1.83 -2.81 112.91 110.76 1nr3 h THR 84 Ca -0.07 -1.92 0.02 0.00 0.77 0.00 0.00 66.41 65.21 1nr3 h THR 84 Cb 1.48 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 69.74 1nr3 h THR 84 CO 0.16 0.61 0.59 -0.07 0.37 0.00 0.00 175.52 177.18 1nr3 h LEU 85 N 0.53 1.01 -0.31 2.58 4.07 -0.70 1.96 115.31 124.46 1nr3 h LEU 85 Ca -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1nr3 h LEU 85 Cb 1.31 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1nr3 h LEU 85 CO 0.14 0.72 0.21 0.00 -1.08 0.00 0.00 178.44 178.43 1nr3 h ALA 86 N 1.34 0.39 0.03 1.53 0.00 -1.40 0.91 119.26 122.06 1nr3 h ALA 86 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nr3 h ALA 86 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nr3 h ALA 86 CO -0.08 -0.14 -0.01 0.35 0.00 0.00 0.00 179.25 179.36 1nr3 h PHE 87 N 0.42 -0.04 -0.03 0.00 3.57 -1.10 0.16 116.94 119.92 1nr3 h PHE 87 Ca 0.11 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1nr3 h PHE 87 Cb -0.05 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1nr3 h PHE 87 CO -0.06 0.57 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.36 1nr3 h LEU 88 N -0.69 -0.48 0.00 0.59 4.07 0.32 -2.42 115.31 116.71 1nr3 h LEU 88 Ca -0.00 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1nr3 h LEU 88 Cb 0.62 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1nr3 h LEU 88 CO 0.01 -0.22 -0.00 0.40 -1.08 0.00 0.00 178.44 177.55 1nr3 h ILE 89 N -0.25 1.06 -1.38 1.22 2.04 0.78 -2.15 117.51 118.82 1nr3 h ILE 89 Ca 0.06 -0.18 0.45 0.00 1.00 0.00 0.00 64.86 66.20 1nr3 h ILE 89 Cb 0.33 1.18 -0.11 0.00 -0.74 0.00 0.00 36.82 37.48 1nr3 h ILE 89 CO -0.18 0.05 0.92 0.54 0.00 0.00 0.00 178.15 179.48 1nr3 n ARG 90 N -5.06 -0.02 -0.05 2.37 1.74 0.58 0.31 116.66 116.53 1nr3 n ARG 90 Ca -0.07 1.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.95 1nr3 n ARG 90 Cb 0.07 -2.22 -0.08 0.00 -1.02 0.00 0.00 32.46 29.21 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 0.29 -0.05 5.56 4.39 -1.02 0.66 114.58 124.41 1nr3 h GLU 91 Ca 0.80 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.34 1nr3 h GLU 91 Cb 2.77 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.43 1nr3 h GLU 91 CO -0.30 0.71 0.00 0.36 -1.16 0.00 0.00 179.01 178.61 1nr3 n LYS 92 N -4.60 1.62 -2.71 2.33 2.85 0.76 -4.47 118.16 113.94 1nr3 n LYS 92 Ca -0.07 -0.92 -0.04 0.00 -1.05 0.00 0.00 58.31 56.24 1nr3 n LYS 92 Cb 0.35 -1.45 0.03 0.00 -0.65 0.00 0.00 35.03 33.30 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 n ALA 93 N 0.12 -2.98 1.12 0.58 0.00 0.90 -4.99 120.51 115.26 1nr3 n ALA 93 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.23 1nr3 n ALA 93 Cb 0.33 -2.55 0.06 0.00 0.00 0.00 0.00 19.45 17.29 1nr3 n ALA 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nr3 n SER 94 N 2.64 1.26 0.00 0.00 3.41 0.23 -3.52 113.62 117.64 1nr3 n SER 94 Ca 0.13 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1nr3 n SER 94 Cb 0.62 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nr3 n HIS 95 N -0.01 0.00 -3.39 7.33 8.25 -1.26 -4.92 115.22 121.22 1nr3 n HIS 95 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.06 1nr3 n HIS 95 Cb 0.26 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 1nr3 n HIS 95 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nr3 s ARG 96 N 0.00 2.96 0.38 -0.41 0.52 -1.26 -5.05 118.95 116.09 1nr3 s ARG 96 Ca 0.00 -1.40 0.08 0.00 -0.52 0.00 0.00 55.73 53.89 1nr3 s ARG 96 Cb 0.00 -4.13 -0.05 0.00 0.52 0.00 0.00 34.95 31.28 1nr3 s ARG 96 CO 0.00 -1.06 0.13 0.42 0.02 0.00 0.00 175.30 174.81 1nr3 s ILE 97 N 1.63 2.55 0.25 1.52 -1.09 -1.26 -4.90 121.20 119.89 1nr3 s ILE 97 Ca 0.04 -1.77 -0.14 0.00 -2.23 0.00 0.00 60.65 56.55 1nr3 s ILE 97 Cb -0.25 -2.94 -0.08 0.00 -1.58 0.00 0.00 42.46 37.61 1nr3 s ILE 97 CO 0.06 -0.09 0.65 0.54 -1.23 0.00 0.00 174.94 174.87 1nr3 s VAL 98 N -2.54 4.76 0.55 2.92 0.11 -1.26 -5.09 120.40 119.85 1nr3 s VAL 98 Ca 0.39 0.86 0.04 0.00 -2.93 0.00 0.00 61.98 60.34 1nr3 s VAL 98 Cb 0.02 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1nr3 s VAL 98 CO 0.22 -0.01 0.34 -1.00 -3.33 0.00 0.00 175.10 171.31 1nr3 s HIS 99 N -1.77 1.58 -0.27 1.54 3.76 -1.26 -4.64 115.29 114.23 1nr3 s HIS 99 Ca 0.48 -0.89 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1nr3 s HIS 99 Cb -0.12 -1.85 0.10 0.00 1.11 0.00 0.00 32.58 31.82 1nr3 s HIS 99 CO 0.19 -0.39 0.15 1.03 -0.85 0.00 0.00 174.74 174.87 1nr3 s ARG 100 N -4.23 0.19 -0.02 1.40 0.52 -1.26 -4.99 118.95 110.55 1nr3 s ARG 100 Ca 0.28 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 55.07 1nr3 s ARG 100 Cb -0.02 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1nr3 s ARG 100 CO 0.17 -0.96 0.13 0.54 0.02 0.00 0.00 175.30 175.20 1nr3 s VAL 101 N 2.14 5.10 -0.58 3.52 0.11 -1.26 -4.93 120.40 124.50 1nr3 s VAL 101 Ca 0.08 -0.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1nr3 s VAL 101 Cb -0.16 -3.34 0.15 0.00 -1.53 0.00 0.00 36.38 31.50 1nr3 s VAL 101 CO -0.32 0.37 0.36 0.54 -3.33 0.00 0.00 175.10 172.72 1nr3 s VAL 102 N -1.23 2.39 0.00 2.04 0.11 -1.26 -3.38 120.40 119.08 1nr3 s VAL 102 Ca 0.24 -3.58 0.00 0.00 -2.93 0.00 0.00 61.98 55.71 1nr3 s VAL 102 Cb -0.12 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1nr3 s VAL 102 CO 0.15 -0.93 0.00 1.17 -3.33 0.00 0.00 175.10 172.16 1nr3 n LYS 103 N 2.66 0.00 -4.37 1.54 0.00 -1.26 -4.77 118.16 111.96 1nr3 n LYS 103 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.24 1nr3 n LYS 103 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.29 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 -1.19 1.87 -0.13 3.14 0.15 -1.26 -5.01 113.70 111.27 1nr3 s SER 104 Ca 0.00 -1.63 -0.11 0.00 0.70 0.00 0.00 55.95 54.91 1nr3 s SER 104 Cb 0.00 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1nr3 s SER 104 CO 0.00 -0.94 0.22 -0.62 1.20 0.00 0.00 173.24 173.10 1nr3 s ASP 105 N -3.43 6.42 -0.10 5.45 -1.08 -1.26 -4.32 116.67 118.35 1nr3 s ASP 105 Ca 0.34 0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 52.78 1nr3 s ASP 105 Cb 0.04 -2.13 0.03 0.00 -1.46 0.00 0.00 42.92 39.39 1nr3 s ASP 105 CO 0.19 0.25 0.25 0.12 0.52 0.00 0.00 175.17 176.51 1nr3 s PHE 106 N -0.28 -0.28 0.01 -5.34 2.19 -0.71 -4.42 117.98 109.14 1nr3 s PHE 106 Ca 0.15 0.69 -0.00 0.00 0.33 0.00 0.00 56.93 58.10 1nr3 s PHE 106 Cb -0.13 0.09 -0.04 0.00 -1.31 0.00 0.00 43.02 41.63 1nr3 s PHE 106 CO 0.04 -0.15 0.10 -1.21 1.83 0.00 0.00 175.22 175.83 1nr3 s GLU 107 N 0.27 3.10 0.01 10.12 2.02 0.32 0.63 118.70 135.18 1nr3 s GLU 107 Ca -0.01 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1nr3 s GLU 107 Cb -0.03 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1nr3 s GLU 107 CO -0.01 0.64 -0.03 0.42 0.02 0.00 0.00 175.26 176.30 1nr3 s ILE 108 N -1.26 0.19 0.21 -1.63 1.09 0.35 -1.95 121.20 118.21 1nr3 s ILE 108 Ca 0.25 -0.42 -0.22 0.00 -1.10 0.00 0.00 60.65 59.16 1nr3 s ILE 108 Cb -0.12 -0.23 0.05 0.00 -1.06 0.00 0.00 42.46 41.10 1nr3 s ILE 108 CO 0.16 -0.15 0.65 -0.83 -0.10 0.00 0.00 174.94 174.67 1nr3 s GLY 109 N -0.61 -0.37 0.22 6.18 0.00 0.72 -0.38 107.32 113.08 1nr3 s GLY 109 Ca -0.05 0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.68 1nr3 s GLY 109 CO -0.00 0.03 0.38 0.54 0.00 0.00 0.00 173.10 174.05 1nr3 s VAL 110 N -3.83 0.02 -0.03 1.40 0.11 -0.13 0.43 120.40 118.36 1nr3 s VAL 110 Ca 0.06 -1.48 0.06 0.00 -2.93 0.00 0.00 61.98 57.68 1nr3 s VAL 110 Cb -0.03 -2.15 -0.09 0.00 -1.53 0.00 0.00 36.38 32.58 1nr3 s VAL 110 CO -0.04 -0.07 0.08 0.35 -3.33 0.00 0.00 175.10 172.09 1nr3 n THR 111 N -0.32 0.20 0.00 5.04 -2.24 -1.22 -0.17 114.28 115.57 1nr3 n THR 111 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1nr3 n THR 111 Cb 0.63 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.97 0.00 0.00 -0.78 1.74 -1.26 -2.50 116.66 111.90 1nr3 n ARG 112 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1nr3 n ARG 112 Cb 0.42 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 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 -1.98 0.00 0.00 0.55 2.03 -1.26 -4.81 116.55 111.07 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nr3 n GLY 114 N 0.00 0.30 3.76 0.27 0.00 -1.26 -4.23 105.19 104.03 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 -0.64 4.68 0.24 1.61 2.02 -1.26 -4.74 118.70 120.61 1nr3 s GLU 115 Ca 0.00 1.51 0.05 0.00 0.02 0.00 0.00 54.97 56.55 1nr3 s GLU 115 Cb 0.00 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 1nr3 s GLU 115 CO 0.00 0.34 -0.05 0.96 0.02 0.00 0.00 175.26 176.52 1nr3 s ILE 116 N -1.34 1.38 -0.00 -1.63 -0.00 -1.26 -3.41 121.20 114.93 1nr3 s ILE 116 Ca 0.46 -2.09 0.03 0.00 -0.00 0.00 0.00 60.65 59.04 1nr3 s ILE 116 Cb -0.25 -2.31 -0.01 0.00 -0.00 0.00 0.00 42.46 39.90 1nr3 s ILE 116 CO 0.31 -0.38 -0.10 0.27 -0.00 0.00 0.00 174.94 175.04 1nr3 s ILE 117 N -3.19 0.77 0.05 8.37 -5.25 0.17 -4.95 121.20 117.17 1nr3 s ILE 117 Ca 0.27 -0.45 0.01 0.00 -0.99 0.00 0.00 60.65 59.50 1nr3 s ILE 117 Cb 0.04 -0.65 -0.03 0.00 2.95 0.00 0.00 42.46 44.77 1nr3 s ILE 117 CO 0.09 0.19 -0.06 0.68 -1.79 0.00 0.00 174.94 174.05 1nr3 s VAL 118 N -0.27 0.49 -0.30 8.37 -7.23 -1.26 -0.20 120.40 120.00 1nr3 s VAL 118 Ca 0.03 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 58.69 1nr3 s VAL 118 Cb -0.04 -0.93 0.17 0.00 0.56 0.00 0.00 36.38 36.15 1nr3 s VAL 118 CO -0.00 -0.59 1.10 -0.62 -0.31 0.00 0.00 175.10 174.68 1nr3 s ASP 119 N -2.07 -0.34 -0.24 4.85 2.15 -0.82 -4.93 116.67 115.27 1nr3 s ASP 119 Ca -0.04 0.51 -0.06 0.00 0.43 0.00 0.00 52.55 53.40 1nr3 s ASP 119 Cb -0.04 1.22 -0.20 0.00 -0.30 0.00 0.00 42.92 43.61 1nr3 s ASP 119 CO -0.02 -0.08 3.42 0.18 -0.17 0.00 0.00 175.17 178.50 1nr3 n LEU 120 N 3.86 5.80 -1.61 -1.34 4.32 -1.26 0.12 117.00 126.88 1nr3 n LEU 120 Ca -0.15 -3.45 0.00 0.00 -0.02 0.00 0.00 56.01 52.39 1nr3 n LEU 120 Cb 0.56 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1nr3 n LEU 120 CO 0.01 1.75 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.26 1nr3 n ASN 121 N 2.33 -8.71 0.00 -1.43 2.85 -1.26 -4.86 115.26 104.18 1nr3 n ASN 121 Ca 0.47 1.38 0.00 0.00 -0.11 0.00 0.00 54.58 56.32 1nr3 n ASN 121 Cb 0.79 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.86 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91