#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 h ARG 2 N 0.00 0.04 -6.23 0.03 9.65 -2.04 -3.36 114.38 112.48 1nr3 h ARG 2 Ca 0.00 -0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 1nr3 h ARG 2 Cb 0.00 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1nr3 h ARG 2 CO 0.00 0.03 0.47 -1.21 2.80 0.00 0.00 179.97 182.06 1nr3 s GLU 3 N -5.08 4.43 0.00 0.20 8.01 -1.26 -5.04 118.70 119.96 1nr3 s GLU 3 Ca -0.06 1.31 0.00 0.00 0.01 0.00 0.00 54.97 56.23 1nr3 s GLU 3 Cb 0.28 -3.53 0.00 0.00 -4.31 0.00 0.00 34.13 26.57 1nr3 s GLU 3 CO 0.85 -0.24 0.00 0.54 0.01 0.00 0.00 175.26 176.42 1nr3 n ARG 4 N 4.75 1.77 0.00 1.61 5.12 -1.26 -4.51 116.66 124.14 1nr3 n ARG 4 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1nr3 n ARG 4 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nr3 n GLY 5 N 5.00 2.25 2.61 -0.13 0.00 -1.26 -4.26 105.19 109.41 1nr3 n GLY 5 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.10 0.08 1.61 4.27 -1.26 -4.62 117.44 120.62 1nr3 n TRP 6 Ca 0.00 -2.67 -0.04 0.00 -3.89 0.00 0.00 57.50 50.90 1nr3 n TRP 6 Cb 0.00 -1.25 -0.02 0.00 -1.36 0.00 0.00 31.31 28.68 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 1nr3 h SER 7 N 2.51 -0.24 0.00 -0.67 4.64 -1.79 -3.46 113.55 114.53 1nr3 h SER 7 Ca 0.57 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.75 1nr3 h SER 7 Cb 0.45 0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 62.49 1nr3 h SER 7 CO 1.47 0.17 -0.11 1.67 -0.87 0.00 0.00 176.83 179.16 1nr3 n GLN 8 N -4.72 0.52 0.00 4.77 7.27 -1.26 -4.91 117.38 119.05 1nr3 n GLN 8 Ca -0.04 -1.20 0.00 0.00 0.07 0.00 0.00 57.00 55.84 1nr3 n GLN 8 Cb 0.11 -0.43 0.00 0.00 2.41 0.00 0.00 30.24 32.34 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 0.27 0.00 0.00 3.69 3.00 -1.26 -5.01 118.16 118.85 1nr3 n LYS 9 Ca -0.04 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1nr3 n LYS 9 Cb 0.73 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 35.07 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 -0.76 0.00 0.00 1.64 0.00 -1.26 -4.88 118.16 112.90 1nr3 n LYS 10 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 1nr3 n LYS 10 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 35.03 35.77 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 -0.79 0.01 -0.28 3.15 5.41 -1.26 -3.63 119.36 121.96 1nr3 n ILE 11 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 1nr3 n ILE 11 Cb 0.00 -0.61 0.23 0.00 -0.71 0.00 0.00 39.64 38.54 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 3.54 1.05 -0.45 -1.39 0.00 -1.92 0.43 119.26 120.52 1nr3 h ALA 12 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1nr3 h ALA 12 Cb 0.01 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1nr3 h ALA 12 CO 0.00 -0.43 -0.01 0.07 0.00 0.00 0.00 179.25 178.87 1nr3 h ARG 13 N 0.18 0.09 0.00 0.00 -0.00 -1.91 0.79 114.38 113.54 1nr3 h ARG 13 Ca 0.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 60.43 1nr3 h ARG 13 Cb 0.91 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.86 1nr3 h ARG 13 CO -0.64 0.06 -0.15 1.49 -0.00 0.00 0.00 179.97 180.73 1nr3 h GLU 14 N 0.10 0.00 0.00 0.08 4.81 -0.53 -0.69 114.58 118.34 1nr3 h GLU 14 Ca 0.22 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1nr3 h GLU 14 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1nr3 h GLU 14 CO -0.38 0.15 -0.65 -0.07 -0.73 0.00 0.00 179.01 177.32 1nr3 h LEU 15 N 0.00 0.00 -0.17 1.64 4.07 0.17 -2.58 115.31 118.44 1nr3 h LEU 15 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1nr3 h LEU 15 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1nr3 h LEU 15 CO 0.02 0.56 -0.53 0.11 -1.08 0.00 0.00 178.44 177.53 1nr3 h LYS 16 N 0.00 0.66 0.00 1.13 1.57 0.18 -3.06 116.57 117.05 1nr3 h LYS 16 Ca -0.02 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 1nr3 h LYS 16 Cb 1.45 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1nr3 h LYS 16 CO 0.07 1.10 -0.43 0.00 -0.57 0.00 0.00 179.45 179.62 1nr3 h THR 17 N 0.34 1.08 -4.30 -0.16 1.03 -1.35 -3.44 112.91 106.11 1nr3 h THR 17 Ca -0.02 -1.58 -0.51 0.00 -0.01 0.00 0.00 66.41 64.29 1nr3 h THR 17 Cb 1.15 1.91 0.12 0.00 -1.07 0.00 0.00 68.15 70.26 1nr3 h THR 17 CO 0.11 0.42 0.33 0.28 -0.01 0.00 0.00 175.52 176.65 1nr3 s THR 18 N -3.74 3.51 0.00 0.00 -1.32 -0.97 -4.86 115.64 108.26 1nr3 s THR 18 Ca -0.01 0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1nr3 s THR 18 Cb 0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 1nr3 s THR 18 CO 0.71 -0.64 0.00 -1.14 -2.21 0.00 0.00 174.62 171.34 1nr3 n ARG 19 N -3.40 0.00 -3.38 7.08 0.63 -1.26 -4.94 116.66 111.39 1nr3 n ARG 19 Ca 0.08 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.79 1nr3 n ARG 19 Cb 0.54 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.43 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1nr3 n GLN 20 N 0.00 -2.89 -1.53 -0.14 -0.06 -1.26 0.20 117.38 111.70 1nr3 n GLN 20 Ca 0.00 0.36 -0.13 0.00 -2.00 0.00 0.00 57.00 55.23 1nr3 n GLN 20 Cb 0.00 -5.02 -0.05 0.00 -4.06 0.00 0.00 30.24 21.11 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 -2.18 -3.55 0.00 1.69 3.02 -1.26 -4.88 115.26 108.09 1nr3 n ASN 21 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1nr3 n ASN 21 Cb 0.52 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.09 0.00 0.09 2.41 0.31 0.53 -4.84 118.33 114.74 1nr3 n VAL 22 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1nr3 n VAL 22 Cb 0.46 -0.20 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 1nr3 n VAL 22 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1nr3 h SER 23 N 0.00 0.66 -7.00 4.52 4.64 -1.90 -3.47 113.55 111.00 1nr3 h SER 23 Ca 0.00 -0.93 -0.59 0.00 -0.47 0.00 0.00 61.79 59.80 1nr3 h SER 23 Cb 0.00 -0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 61.66 1nr3 h SER 23 CO 0.00 1.76 -0.92 0.00 -0.87 0.00 0.00 176.83 176.80 1nr3 n ALA 24 N -2.83 -1.88 0.22 5.18 0.00 -1.26 -4.68 120.51 115.26 1nr3 n ALA 24 Ca -0.23 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1nr3 n ALA 24 Cb 1.07 -0.93 0.39 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.58 0.36 0.11 0.00 2.04 -1.97 -0.21 117.51 116.26 1nr3 h ILE 25 Ca -0.62 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1nr3 h ILE 25 Cb 1.34 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1nr3 h ILE 25 CO 0.70 0.17 -0.05 -0.08 0.00 0.00 0.00 178.15 178.88 1nr3 h GLU 26 N 0.00 -0.14 -0.23 2.37 4.81 -1.97 -0.39 114.58 119.04 1nr3 h GLU 26 Ca -0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1nr3 h GLU 26 Cb 0.84 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1nr3 h GLU 26 CO 0.02 0.37 -0.05 0.00 -0.73 0.00 0.00 179.01 178.62 1nr3 h ARG 27 N -0.84 0.44 0.76 1.92 2.47 -1.94 -1.34 114.38 115.85 1nr3 h ARG 27 Ca -0.01 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1nr3 h ARG 27 Cb 0.57 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1nr3 h ARG 27 CO 0.02 0.67 -0.39 0.87 0.56 0.00 0.00 179.97 181.70 1nr3 h LYS 28 N 0.18 -1.02 -0.57 0.04 1.79 -1.15 0.38 116.57 116.22 1nr3 h LYS 28 Ca 0.06 0.07 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 1nr3 h LYS 28 Cb 0.51 0.23 -0.11 0.00 -1.58 0.00 0.00 32.23 31.28 1nr3 h LYS 28 CO 0.02 -0.68 -0.23 0.00 -1.08 0.00 0.00 179.45 177.48 1nr3 h ALA 29 N -0.84 0.19 0.00 3.86 0.00 -1.09 1.25 119.26 122.64 1nr3 h ALA 29 Ca -0.10 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nr3 h ALA 29 Cb 0.83 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1nr3 h ALA 29 CO 0.15 -0.54 0.00 0.52 0.00 0.00 0.00 179.25 179.38 1nr3 h MET 30 N -0.09 0.00 -1.99 0.00 2.86 -0.97 -2.66 114.93 112.08 1nr3 h MET 30 Ca 0.26 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1nr3 h MET 30 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1nr3 h MET 30 CO -0.63 0.00 -0.20 0.39 1.06 0.00 0.00 176.91 177.53 1nr3 n GLU 31 N -3.08 1.64 -3.40 1.72 4.71 0.43 -4.66 120.64 118.00 1nr3 n GLU 31 Ca -0.01 -0.69 -0.22 0.00 -0.01 0.00 0.00 57.16 56.22 1nr3 n GLU 31 Cb 0.19 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 28.97 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nr3 n ASN 32 N 2.02 -2.79 -4.62 1.62 3.02 -1.17 -4.81 115.26 108.54 1nr3 n ASN 32 Ca 0.27 -0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 1nr3 n ASN 32 Cb 0.74 -2.36 0.02 0.00 -0.61 0.00 0.00 39.78 37.58 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr3 n ILE 33 N -3.66 2.81 -1.92 2.41 3.06 -1.01 -4.90 119.36 116.16 1nr3 n ILE 33 Ca 0.01 -0.50 -0.05 0.00 -2.50 0.00 0.00 62.75 59.71 1nr3 n ILE 33 Cb 0.52 -1.20 -0.05 0.00 0.54 0.00 0.00 39.64 39.45 1nr3 n ILE 33 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1nr3 n GLU 34 N -0.21 0.00 -1.41 9.51 1.02 -1.26 -4.98 120.64 123.30 1nr3 n GLU 34 Ca 0.10 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 1nr3 n GLU 34 Cb 0.42 0.43 0.00 0.00 -0.02 0.00 0.00 31.44 32.27 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nr3 n LYS 35 N 0.00 0.00 0.00 3.49 4.81 -1.26 -5.04 118.16 120.16 1nr3 n LYS 35 Ca -0.21 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1nr3 n LYS 35 Cb 0.61 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.50 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 -0.21 0.00 -0.19 3.14 7.64 -1.26 -4.92 113.62 117.82 1nr3 n SER 36 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1nr3 n SER 36 Cb 0.00 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.04 -4.78 1.43 2.47 -2.01 -3.46 114.38 109.07 1nr3 h ARG 37 Ca 0.00 -0.38 -0.39 0.00 -1.26 0.00 0.00 59.98 57.95 1nr3 h ARG 37 Cb 0.00 -0.07 0.09 0.00 -1.65 0.00 0.00 29.97 28.34 1nr3 h ARG 37 CO 0.00 1.07 -0.61 0.09 0.56 0.00 0.00 179.97 181.08 1nr3 n ASN 38 N -4.16 -6.07 0.00 7.04 3.02 -1.26 -4.96 115.26 108.87 1nr3 n ASN 38 Ca 0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1nr3 n ASN 38 Cb 0.40 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 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 -4.63 0.00 -0.41 3.41 -1.04 -1.26 -1.19 114.28 109.15 1nr3 n THR 39 Ca -0.07 0.27 0.40 0.00 -2.04 0.00 0.00 64.05 62.61 1nr3 n THR 39 Cb 0.60 -0.76 0.75 0.00 -1.82 0.00 0.00 70.33 69.09 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 0.17 -4.42 -0.00 -1.90 0.92 115.31 110.08 1nr3 h LEU 40 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 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 -0.08 -0.78 -0.00 0.00 0.00 178.44 177.58 1nr3 h ASP 41 N 0.00 -0.20 0.07 0.17 -0.00 -1.93 0.40 116.42 114.93 1nr3 h ASP 41 Ca 0.66 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.03 57.54 1nr3 h ASP 41 Cb 2.77 0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 42.15 1nr3 h ASP 41 CO -0.01 0.01 -0.07 0.15 -0.00 0.00 0.00 179.24 179.32 1nr3 h PHE 42 N -0.41 0.01 0.00 0.28 3.04 0.23 0.53 116.94 120.63 1nr3 h PHE 42 Ca -0.02 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 1nr3 h PHE 42 Cb 0.32 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1nr3 h PHE 42 CO -0.01 0.08 -0.29 0.28 -2.02 0.00 0.00 178.31 176.35 1nr3 h VAL 43 N 0.01 0.38 -0.00 1.41 2.07 -0.84 -3.15 116.25 116.12 1nr3 h VAL 43 Ca 0.00 -1.54 -0.23 0.00 0.82 0.00 0.00 66.70 65.75 1nr3 h VAL 43 Cb 0.14 2.16 0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1nr3 h VAL 43 CO 0.01 0.21 -0.89 0.07 0.02 0.00 0.00 177.57 176.99 1nr3 h LYS 44 N 0.00 0.61 -0.27 1.57 5.09 0.19 -3.15 116.57 120.61 1nr3 h LYS 44 Ca -0.01 -0.65 -0.00 0.00 0.09 0.00 0.00 60.65 60.08 1nr3 h LYS 44 Cb 1.18 0.18 -0.01 0.00 0.10 0.00 0.00 32.23 33.68 1nr3 h LYS 44 CO 0.03 1.26 0.16 1.03 -2.09 0.00 0.00 179.45 179.83 1nr3 h SER 45 N 0.23 0.31 -0.90 7.07 0.87 -1.20 -2.63 113.55 117.31 1nr3 h SER 45 Ca -0.11 -0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1nr3 h SER 45 Cb 1.57 -0.08 -0.16 0.00 -0.44 0.00 0.00 62.40 63.29 1nr3 h SER 45 CO 0.18 0.25 -0.27 0.18 -0.53 0.00 0.00 176.83 176.64 1nr3 n LEU 46 N -4.48 -0.41 -2.24 2.23 4.77 -1.19 -4.85 117.00 110.84 1nr3 n LEU 46 Ca 0.01 1.56 -0.02 0.00 -0.03 0.00 0.00 56.01 57.53 1nr3 n LEU 46 Cb 0.09 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1nr3 n LEU 46 CO 0.35 -1.47 0.12 1.17 -1.33 0.00 0.00 177.39 176.23 1nr3 n LYS 47 N -5.43 -0.72 -5.15 3.23 4.81 -0.99 -5.05 118.16 108.85 1nr3 n LYS 47 Ca 0.13 0.80 -0.32 0.00 -0.87 0.00 0.00 58.31 58.05 1nr3 n LYS 47 Cb 0.42 -3.46 -0.16 0.00 0.02 0.00 0.00 35.03 31.85 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1nr3 s SER 48 N -2.66 3.30 0.61 3.14 0.01 -1.25 -4.89 113.70 111.97 1nr3 s SER 48 Ca 0.06 -0.46 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 1nr3 s SER 48 Cb -0.01 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1nr3 s SER 48 CO 0.34 0.23 1.05 -2.16 0.41 0.00 0.00 173.24 173.11 1nr3 s PRO 49 N -0.07 3.28 0.13 12.44 0.04 -0.84 -4.20 135.00 145.78 1nr3 s PRO 49 Ca -0.06 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 1nr3 s PRO 49 Cb -0.14 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1nr3 s PRO 49 CO 0.04 -0.83 0.46 0.08 0.04 0.00 0.00 177.00 176.79 1nr3 s VAL 50 N -2.62 0.05 -0.22 -0.36 1.01 -0.03 -4.95 120.40 113.27 1nr3 s VAL 50 Ca 0.62 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1nr3 s VAL 50 Cb -0.15 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.18 1nr3 s VAL 50 CO 0.41 -0.22 0.60 -0.60 0.00 0.00 0.00 175.10 175.29 1nr3 s ARG 51 N -3.72 0.69 -0.12 2.72 3.52 -1.26 -0.94 118.95 119.84 1nr3 s ARG 51 Ca 0.02 0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 1nr3 s ARG 51 Cb 0.01 0.33 0.09 0.00 -1.56 0.00 0.00 34.95 33.82 1nr3 s ARG 51 CO -0.12 -0.09 0.82 0.96 -0.81 0.00 0.00 175.30 176.07 1nr3 s ILE 52 N 0.36 0.00 -0.10 4.11 -4.36 -0.38 -4.67 121.20 116.16 1nr3 s ILE 52 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.32 1nr3 s ILE 52 Cb -0.04 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 1nr3 s ILE 52 CO 0.00 0.00 0.15 -0.22 0.24 0.00 0.00 174.94 175.12 1nr3 s LEU 53 N -0.95 4.39 -0.05 0.37 0.20 -1.26 -1.21 118.68 120.16 1nr3 s LEU 53 Ca -0.06 0.46 0.03 0.00 0.69 0.00 0.00 54.13 55.25 1nr3 s LEU 53 Cb -0.01 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 1nr3 s LEU 53 CO 0.05 0.38 -0.14 0.00 -0.29 0.00 0.00 176.35 176.35 1nr3 n ARG 55 N 2.38 1.76 -1.60 0.00 1.74 -1.26 -1.14 116.66 118.53 1nr3 n ARG 55 Ca -0.17 -0.68 -0.45 0.00 -0.77 0.00 0.00 57.85 55.78 1nr3 n ARG 55 Cb 0.52 0.18 -0.02 0.00 -1.02 0.00 0.00 32.46 32.12 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 -0.25 1.43 0.25 5.56 1.74 -1.26 -4.59 116.66 119.53 1nr3 n ARG 56 Ca -0.04 0.50 0.13 0.00 -0.77 0.00 0.00 57.85 57.67 1nr3 n ARG 56 Cb 0.12 -1.94 0.53 0.00 -1.02 0.00 0.00 32.46 30.15 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 2.56 0.00 0.00 -0.13 0.00 -1.88 0.14 103.07 103.76 1nr3 h GLY 57 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1nr3 h GLY 57 CO 0.64 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.52 1nr3 n ASP 58 N -2.92 0.00 0.00 0.19 4.64 -1.26 -3.18 116.55 114.02 1nr3 n ASP 58 Ca 0.02 0.40 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 1nr3 n ASP 58 Cb 0.70 -0.06 0.01 0.00 -1.04 0.00 0.00 41.12 40.72 1nr3 n ASP 58 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1nr3 n THR 59 N -0.69 1.49 -0.33 5.18 5.66 -0.93 -2.38 114.28 122.29 1nr3 n THR 59 Ca 0.00 0.37 0.17 0.00 -3.05 0.00 0.00 64.05 61.54 1nr3 n THR 59 Cb 0.00 -1.37 0.37 0.00 -1.55 0.00 0.00 70.33 67.78 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 0.00 0.53 -0.30 1.09 5.85 -0.70 1.42 115.31 123.19 1nr3 h LEU 60 Ca 0.00 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1nr3 h LEU 60 Cb 0.00 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1nr3 h LEU 60 CO 0.00 0.04 -0.08 -2.24 -0.34 0.00 0.00 178.44 175.82 1nr3 h ASP 61 N 0.48 -0.29 0.27 1.25 2.03 -1.63 0.49 116.42 119.03 1nr3 h ASP 61 Ca 0.62 0.09 -0.20 0.00 -0.73 0.00 0.00 57.03 56.82 1nr3 h ASP 61 Cb 1.22 0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1nr3 h ASP 61 CO -0.51 -0.10 -0.79 -0.08 -1.03 0.00 0.00 179.24 176.73 1nr3 h GLU 62 N -0.00 0.42 0.00 4.15 4.81 -0.48 -2.88 114.58 120.60 1nr3 h GLU 62 Ca 0.14 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1nr3 h GLU 62 Cb 0.22 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1nr3 h GLU 62 CO -0.31 1.02 -0.06 0.82 -0.73 0.00 0.00 179.01 179.75 1nr3 h ILE 63 N 0.27 0.45 -0.15 2.32 5.03 0.26 -1.50 117.51 124.20 1nr3 h ILE 63 Ca -0.04 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 1nr3 h ILE 63 Cb 1.38 1.19 -0.01 0.00 -3.03 0.00 0.00 36.82 36.36 1nr3 h ILE 63 CO 0.14 0.06 0.03 0.40 -0.68 0.00 0.00 178.15 178.10 1nr3 h ILE 64 N 0.00 1.20 -0.21 -0.67 2.04 0.18 1.16 117.51 121.21 1nr3 h ILE 64 Ca -0.00 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1nr3 h ILE 64 Cb 0.19 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1nr3 h ILE 64 CO 0.01 0.19 -0.26 0.07 0.00 0.00 0.00 178.15 178.15 1nr3 h LYS 65 N 0.04 0.41 -0.05 2.37 2.10 -1.41 0.17 116.57 120.19 1nr3 h LYS 65 Ca 0.05 -0.15 -0.19 0.00 -2.00 0.00 0.00 60.65 58.35 1nr3 h LYS 65 Cb 0.26 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1nr3 h LYS 65 CO 0.00 0.64 -0.80 0.00 -2.00 0.00 0.00 179.45 177.30 1nr3 h ARG 66 N 0.36 0.38 -0.16 0.07 3.08 -0.96 -3.13 114.38 114.02 1nr3 h ARG 66 Ca 0.05 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 1nr3 h ARG 66 Cb 0.66 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1nr3 h ARG 66 CO 0.05 1.00 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.54 1nr3 h LEU 67 N 0.24 0.57 -0.84 3.04 3.38 0.17 -3.11 115.31 118.76 1nr3 h LEU 67 Ca -0.04 -0.56 0.21 0.00 0.09 0.00 0.00 57.88 57.57 1nr3 h LEU 67 Cb 1.39 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 1nr3 h LEU 67 CO 0.13 1.02 0.24 0.17 0.09 0.00 0.00 178.44 180.10 1nr3 h LEU 68 N 0.13 0.05 -2.19 1.67 8.10 -0.69 1.98 115.31 124.36 1nr3 h LEU 68 Ca 0.00 0.18 0.06 0.00 0.11 0.00 0.00 57.88 58.22 1nr3 h LEU 68 Cb 0.94 0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 1nr3 h LEU 68 CO 0.07 -0.10 0.26 -0.33 -4.11 0.00 0.00 178.44 174.24 1nr3 h GLU 69 N 0.26 0.00 0.07 0.17 5.08 -1.49 2.39 114.58 121.06 1nr3 h GLU 69 Ca 0.51 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.51 1nr3 h GLU 69 Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1nr3 h GLU 69 CO -0.59 0.00 -2.04 0.39 -1.00 0.00 0.00 179.01 175.76 1nr3 n GLU 70 N -3.60 0.69 -0.02 2.33 -0.58 0.63 -3.97 120.64 116.12 1nr3 n GLU 70 Ca 0.02 0.29 -0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1nr3 n GLU 70 Cb 0.38 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.20 0.00 -1.96 1.62 0.02 0.97 -3.33 113.55 110.67 1nr3 h SER 71 Ca -0.47 0.00 0.57 0.00 -0.84 0.00 0.00 61.79 61.05 1nr3 h SER 71 Cb 1.86 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.31 1nr3 h SER 71 CO -0.04 0.23 1.41 -1.13 -1.14 0.00 0.00 176.83 176.16 1nr3 h ASN 72 N -0.36 0.01 0.34 3.07 -1.24 0.38 1.41 115.58 119.19 1nr3 h ASN 72 Ca 0.00 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1nr3 h ASN 72 Cb 0.10 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1nr3 h ASN 72 CO 0.00 -0.01 -0.24 0.11 -1.29 0.00 0.00 177.43 176.00 1nr3 h LYS 73 N 0.00 -0.55 -0.05 6.67 1.79 -1.57 -1.22 116.57 121.64 1nr3 h LYS 73 Ca 0.94 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.45 1nr3 h LYS 73 Cb 3.75 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 34.53 1nr3 h LYS 73 CO -0.03 -0.37 0.00 -0.85 -1.08 0.00 0.00 179.45 177.12 1nr3 n GLU 74 N -5.37 1.25 -2.85 3.15 -0.00 0.46 -4.85 120.64 112.44 1nr3 n GLU 74 Ca -0.10 -0.38 -0.10 0.00 -0.00 0.00 0.00 57.16 56.59 1nr3 n GLU 74 Cb 0.27 -1.35 -0.02 0.00 -0.00 0.00 0.00 31.44 30.34 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 0.93 3.90 3.94 -1.84 0.00 0.31 -5.09 105.19 107.34 1nr3 n GLY 75 Ca 0.16 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 1nr3 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr3 s ILE 76 N -1.84 4.24 -0.80 -0.61 -1.09 -1.25 -4.77 121.20 115.08 1nr3 s ILE 76 Ca 0.04 -0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.86 1nr3 s ILE 76 Cb 0.00 -3.59 -0.17 0.00 -1.58 0.00 0.00 42.46 37.12 1nr3 s ILE 76 CO 0.03 -0.46 2.52 1.57 -1.23 0.00 0.00 174.94 177.37 1nr3 n HIS 77 N -2.13 0.86 -4.13 3.97 -0.00 -1.26 -4.80 115.22 107.73 1nr3 n HIS 77 Ca 0.01 0.22 -0.15 0.00 -0.00 0.00 0.00 57.72 57.79 1nr3 n HIS 77 Cb 0.57 -2.30 -0.13 0.00 -0.00 0.00 0.00 29.99 28.13 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nr3 s VAL 78 N 9.74 0.50 -0.50 3.57 1.01 -1.26 -4.82 120.40 128.65 1nr3 s VAL 78 Ca 1.18 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.58 1nr3 s VAL 78 Cb -0.74 -0.49 0.40 0.00 0.00 0.00 0.00 36.38 35.55 1nr3 s VAL 78 CO 0.38 -0.10 1.17 2.30 0.00 0.00 0.00 175.10 178.85 1nr3 n ILE 79 N 2.26 2.64 -2.41 2.22 -5.35 -1.26 -4.87 119.36 112.59 1nr3 n ILE 79 Ca -0.17 -5.00 -0.26 0.00 -0.27 0.00 0.00 62.75 57.05 1nr3 n ILE 79 Cb 0.56 -1.29 0.04 0.00 -1.74 0.00 0.00 39.64 37.21 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 -3.59 3.11 0.32 4.28 3.76 -1.26 -4.52 115.29 117.40 1nr3 s HIS 80 Ca 0.48 0.49 0.10 0.00 -0.15 0.00 0.00 55.06 55.98 1nr3 s HIS 80 Cb 0.38 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 1nr3 s HIS 80 CO -0.20 -0.96 -0.05 -0.51 -0.85 0.00 0.00 174.74 172.17 1nr3 s ASP 81 N -4.37 4.03 0.46 1.40 1.11 -1.26 -4.87 116.67 113.17 1nr3 s ASP 81 Ca 0.56 -0.99 0.13 0.00 0.18 0.00 0.00 52.55 52.43 1nr3 s ASP 81 Cb -0.11 -0.50 1.08 0.00 1.07 0.00 0.00 42.92 44.47 1nr3 s ASP 81 CO 0.44 -0.15 2.06 0.28 1.18 0.00 0.00 175.17 178.98 1nr3 h SER 82 N 1.95 0.26 -0.38 0.27 0.02 -1.92 0.62 113.55 114.36 1nr3 h SER 82 Ca -0.42 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.36 1nr3 h SER 82 Cb 1.25 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1nr3 h SER 82 CO 0.65 0.18 -0.40 0.40 -1.14 0.00 0.00 176.83 176.52 1nr3 h ILE 83 N 0.30 1.27 -0.07 3.27 2.04 -1.95 -2.40 117.51 119.97 1nr3 h ILE 83 Ca 0.15 -1.57 -0.19 0.00 1.00 0.00 0.00 64.86 64.25 1nr3 h ILE 83 Cb 0.22 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1nr3 h ILE 83 CO -0.03 0.53 -0.75 0.74 0.00 0.00 0.00 178.15 178.64 1nr3 h THR 84 N 0.77 1.38 -0.80 -0.27 2.02 -1.41 -3.04 112.91 111.56 1nr3 h THR 84 Ca 0.06 -2.16 0.01 0.00 0.77 0.00 0.00 66.41 65.08 1nr3 h THR 84 Cb 0.99 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 1nr3 h THR 84 CO 0.10 0.65 0.52 -0.07 0.37 0.00 0.00 175.52 177.09 1nr3 h LEU 85 N 0.27 0.92 -0.27 2.58 4.07 0.27 1.19 115.31 124.35 1nr3 h LEU 85 Ca -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1nr3 h LEU 85 Cb 1.33 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1nr3 h LEU 85 CO 0.13 0.67 0.14 0.00 -1.08 0.00 0.00 178.44 178.30 1nr3 h ALA 86 N 1.50 0.34 0.00 1.53 0.00 -1.32 0.72 119.26 122.02 1nr3 h ALA 86 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nr3 h ALA 86 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nr3 h ALA 86 CO -0.06 -0.11 -0.00 0.35 0.00 0.00 0.00 179.25 179.42 1nr3 h PHE 87 N 0.31 -0.01 -0.14 0.00 3.57 -1.25 0.11 116.94 119.54 1nr3 h PHE 87 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1nr3 h PHE 87 Cb 0.09 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1nr3 h PHE 87 CO -0.03 0.55 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.48 1nr3 h LEU 88 N -0.57 -0.20 0.11 0.59 4.07 0.15 -2.46 115.31 117.00 1nr3 h LEU 88 Ca -0.00 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1nr3 h LEU 88 Cb 0.56 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1nr3 h LEU 88 CO 0.00 -0.08 -0.05 0.40 -1.08 0.00 0.00 178.44 177.63 1nr3 h ILE 89 N -0.04 0.91 -1.37 1.22 2.04 0.40 -1.98 117.51 118.70 1nr3 h ILE 89 Ca 0.08 -0.05 0.45 0.00 1.00 0.00 0.00 64.86 66.34 1nr3 h ILE 89 Cb 0.15 0.94 -0.12 0.00 -0.74 0.00 0.00 36.82 37.06 1nr3 h ILE 89 CO -0.17 0.01 0.91 0.54 0.00 0.00 0.00 178.15 179.44 1nr3 n ARG 90 N -5.14 -0.03 -0.05 2.37 1.74 0.38 0.36 116.66 116.29 1nr3 n ARG 90 Ca -0.08 1.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.98 1nr3 n ARG 90 Cb 0.09 -2.25 -0.08 0.00 -1.02 0.00 0.00 32.46 29.20 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 -0.04 5.56 4.39 -1.06 0.66 114.58 124.39 1nr3 h GLU 91 Ca 0.81 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1nr3 h GLU 91 Cb 2.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.42 1nr3 h GLU 91 CO -0.34 0.69 0.00 0.36 -1.16 0.00 0.00 179.01 178.57 1nr3 n LYS 92 N -4.61 1.68 -2.72 2.33 2.85 0.73 -4.47 118.16 113.95 1nr3 n LYS 92 Ca -0.06 -0.99 -0.04 0.00 -1.05 0.00 0.00 58.31 56.16 1nr3 n LYS 92 Cb 0.34 -1.47 0.03 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.20 -2.64 1.97 0.58 0.00 1.12 -4.91 120.51 116.84 1nr3 n ALA 93 Ca 0.19 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 53.07 1nr3 n ALA 93 Cb 0.35 -2.25 0.46 0.00 0.00 0.00 0.00 19.45 18.01 1nr3 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nr3 n SER 94 N 2.50 0.05 0.00 0.00 2.88 0.23 -3.50 113.62 115.78 1nr3 n SER 94 Ca 0.13 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1nr3 n SER 94 Cb 0.61 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1nr3 n HIS 95 N -0.71 0.00 -3.55 0.66 8.25 -1.26 -4.89 115.22 113.71 1nr3 n HIS 95 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 1nr3 n HIS 95 Cb 0.06 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 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 2.94 0.44 -0.41 0.52 -1.26 -5.07 118.95 116.11 1nr3 s ARG 96 Ca 0.00 -1.02 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1nr3 s ARG 96 Cb 0.00 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1nr3 s ARG 96 CO 0.00 -0.68 0.14 0.42 0.02 0.00 0.00 175.30 175.19 1nr3 s ILE 97 N 1.61 1.98 0.10 1.52 1.09 -1.26 -4.88 121.20 121.36 1nr3 s ILE 97 Ca 0.03 -1.79 -0.08 0.00 -1.10 0.00 0.00 60.65 57.71 1nr3 s ILE 97 Cb -0.19 -2.78 -0.06 0.00 -1.06 0.00 0.00 42.46 38.38 1nr3 s ILE 97 CO 0.08 0.00 0.38 0.54 -0.10 0.00 0.00 174.94 175.84 1nr3 s VAL 98 N -2.69 5.13 0.00 2.92 0.11 -1.26 -5.10 120.40 119.52 1nr3 s VAL 98 Ca 0.33 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1nr3 s VAL 98 Cb 0.04 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1nr3 s VAL 98 CO 0.18 0.20 0.00 1.41 -3.33 0.00 0.00 175.10 173.57 1nr3 n HIS 99 N 0.63 -1.24 -3.35 1.54 8.25 -1.26 -4.63 115.22 115.16 1nr3 n HIS 99 Ca -0.06 -0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1nr3 n HIS 99 Cb 0.52 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nr3 s ARG 100 N -2.01 0.17 0.06 -0.41 3.03 -1.26 -4.98 118.95 113.55 1nr3 s ARG 100 Ca 0.00 0.40 0.05 0.00 2.03 0.00 0.00 55.73 58.21 1nr3 s ARG 100 Cb -0.00 0.21 -0.03 0.00 -1.03 0.00 0.00 34.95 34.10 1nr3 s ARG 100 CO 0.00 -0.05 -0.15 0.54 -1.13 0.00 0.00 175.30 174.51 1nr3 s VAL 101 N 2.08 1.18 -1.03 4.99 0.11 -1.26 -4.90 120.40 121.56 1nr3 s VAL 101 Ca -0.02 -1.24 -0.13 0.00 -2.93 0.00 0.00 61.98 57.67 1nr3 s VAL 101 Cb -0.03 -1.11 0.22 0.00 -1.53 0.00 0.00 36.38 33.93 1nr3 s VAL 101 CO -0.16 -0.13 1.09 0.54 -3.33 0.00 0.00 175.10 173.11 1nr3 s VAL 102 N -1.12 5.53 0.11 2.04 0.11 -1.26 -3.63 120.40 122.18 1nr3 s VAL 102 Ca 0.00 -2.77 0.00 0.00 -2.93 0.00 0.00 61.98 56.28 1nr3 s VAL 102 Cb -0.09 -4.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.10 1nr3 s VAL 102 CO 0.02 -1.28 0.00 1.17 -3.33 0.00 0.00 175.10 171.68 1nr3 n LYS 103 N 4.16 0.00 -4.36 1.54 4.81 -1.26 -4.83 118.16 118.22 1nr3 n LYS 103 Ca 0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.47 1nr3 n LYS 103 Cb 0.43 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.40 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nr3 s SER 104 N -2.00 1.85 0.05 3.14 0.15 -1.26 -4.99 113.70 110.65 1nr3 s SER 104 Ca 0.00 -1.64 -0.06 0.00 0.70 0.00 0.00 55.95 54.95 1nr3 s SER 104 Cb 0.00 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1nr3 s SER 104 CO 0.00 -0.95 0.30 -0.62 1.20 0.00 0.00 173.24 173.18 1nr3 s ASP 105 N -3.43 6.50 -0.17 5.45 2.15 -1.26 -4.07 116.67 121.84 1nr3 s ASP 105 Ca 0.34 0.56 -0.15 0.00 0.43 0.00 0.00 52.55 53.74 1nr3 s ASP 105 Cb 0.04 -2.09 0.05 0.00 -0.30 0.00 0.00 42.92 40.62 1nr3 s ASP 105 CO 0.20 0.19 0.45 0.12 -0.17 0.00 0.00 175.17 175.96 1nr3 s PHE 106 N -1.42 -0.53 -0.07 -5.34 2.19 -0.29 -4.50 117.98 108.01 1nr3 s PHE 106 Ca 0.32 1.26 -0.04 0.00 0.33 0.00 0.00 56.93 58.80 1nr3 s PHE 106 Cb -0.13 0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.74 1nr3 s PHE 106 CO 0.20 -0.27 0.14 -1.21 1.83 0.00 0.00 175.22 175.91 1nr3 s GLU 107 N 0.48 3.36 -0.01 10.12 2.02 0.29 0.10 118.70 135.06 1nr3 s GLU 107 Ca -0.02 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1nr3 s GLU 107 Cb -0.04 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1nr3 s GLU 107 CO -0.02 0.73 -0.06 0.42 0.02 0.00 0.00 175.26 176.34 1nr3 s ILE 108 N -1.13 0.49 0.01 -1.63 1.09 -0.35 -1.84 121.20 117.85 1nr3 s ILE 108 Ca 0.20 -0.23 -0.20 0.00 -1.10 0.00 0.00 60.65 59.31 1nr3 s ILE 108 Cb -0.12 -0.44 0.04 0.00 -1.06 0.00 0.00 42.46 40.88 1nr3 s ILE 108 CO 0.10 0.16 0.45 -0.83 -0.10 0.00 0.00 174.94 174.72 1nr3 s GLY 109 N 0.10 -0.33 0.24 6.18 0.00 -0.06 -1.25 107.32 112.19 1nr3 s GLY 109 Ca -0.01 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.26 1nr3 s GLY 109 CO -0.00 0.27 0.15 0.54 0.00 0.00 0.00 173.10 174.06 1nr3 s VAL 110 N -1.96 0.12 -0.01 1.40 0.11 -0.11 0.57 120.40 120.51 1nr3 s VAL 110 Ca -0.08 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 56.98 1nr3 s VAL 110 Cb -0.02 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.29 1nr3 s VAL 110 CO 0.02 0.00 0.01 0.35 -3.33 0.00 0.00 175.10 172.15 1nr3 n THR 111 N -0.38 0.09 0.00 5.04 -2.24 -1.26 -0.85 114.28 114.69 1nr3 n THR 111 Ca 0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1nr3 n THR 111 Cb 0.65 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.99 0.00 0.00 -0.78 1.74 -1.26 -1.99 116.66 112.37 1nr3 n ARG 112 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1nr3 n ARG 112 Cb 0.49 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1nr3 n ARG 112 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nr3 n ASP 113 N -2.13 0.00 0.00 0.55 10.43 -1.26 -4.69 116.55 119.45 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nr3 n GLY 114 N 0.00 -0.00 3.83 0.44 0.00 -1.26 -4.16 105.19 104.04 1nr3 n GLY 114 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nr3 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nr3 s GLU 115 N -0.67 3.87 0.16 1.61 2.12 -1.26 -4.49 118.70 120.05 1nr3 s GLU 115 Ca 0.00 1.05 0.01 0.00 0.36 0.00 0.00 54.97 56.39 1nr3 s GLU 115 Cb 0.00 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1nr3 s GLU 115 CO 0.00 -0.34 0.02 0.96 -0.54 0.00 0.00 175.26 175.36 1nr3 s ILE 116 N -2.48 0.49 -0.00 -3.70 -5.25 -1.26 -4.00 121.20 105.00 1nr3 s ILE 116 Ca 0.61 -1.96 0.02 0.00 -0.99 0.00 0.00 60.65 58.33 1nr3 s ILE 116 Cb -0.11 -2.11 -0.01 0.00 2.95 0.00 0.00 42.46 43.18 1nr3 s ILE 116 CO 0.29 -0.46 -0.07 0.27 -1.79 0.00 0.00 174.94 173.17 1nr3 s ILE 117 N -3.78 0.57 0.09 8.37 -4.36 0.19 -4.97 121.20 117.31 1nr3 s ILE 117 Ca 0.24 -0.35 0.04 0.00 -0.26 0.00 0.00 60.65 60.32 1nr3 s ILE 117 Cb 0.07 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.25 1nr3 s ILE 117 CO 0.04 0.14 -0.11 0.68 0.24 0.00 0.00 174.94 175.92 1nr3 s VAL 118 N -0.23 0.95 -0.30 8.37 -7.23 -1.25 -0.88 120.40 119.83 1nr3 s VAL 118 Ca 0.02 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1nr3 s VAL 118 Cb -0.03 -1.23 0.17 0.00 0.56 0.00 0.00 36.38 35.85 1nr3 s VAL 118 CO -0.00 -0.46 1.06 -0.62 -0.31 0.00 0.00 175.10 174.77 1nr3 s ASP 119 N -2.21 -0.45 -0.31 4.85 2.15 -0.77 -4.92 116.67 115.02 1nr3 s ASP 119 Ca 0.02 0.62 -0.06 0.00 0.43 0.00 0.00 52.55 53.56 1nr3 s ASP 119 Cb -0.05 1.51 -0.18 0.00 -0.30 0.00 0.00 42.92 43.89 1nr3 s ASP 119 CO 0.01 -0.09 3.37 0.18 -0.17 0.00 0.00 175.17 178.47 1nr3 n LEU 120 N 4.84 5.94 -1.61 -1.34 4.32 -1.26 0.10 117.00 128.00 1nr3 n LEU 120 Ca -0.09 -3.52 0.00 0.00 -0.02 0.00 0.00 56.01 52.39 1nr3 n LEU 120 Cb 0.53 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1nr3 n LEU 120 CO -0.04 1.76 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.22 1nr3 n ASN 121 N 2.34 -8.69 -0.03 -1.43 5.15 -1.26 -4.87 115.26 106.46 1nr3 n ASN 121 Ca 0.49 1.36 0.00 0.00 -0.60 0.00 0.00 54.58 55.84 1nr3 n ASN 121 Cb 0.76 -4.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46