#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 -4.15 0.03 5.12 -1.26 -5.14 116.66 111.26 1nr3 n ARG 2 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1nr3 n ARG 2 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 1nr3 n ARG 2 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1nr3 s GLU 3 N 0.00 2.56 0.00 5.56 2.12 -1.26 -5.00 118.70 122.68 1nr3 s GLU 3 Ca 0.00 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1nr3 s GLU 3 Cb 0.00 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.84 1nr3 s GLU 3 CO 0.00 0.55 0.00 2.89 -0.54 0.00 0.00 175.26 178.16 1nr3 n ARG 4 N 0.66 0.00 0.00 4.30 1.85 -1.26 -5.04 116.66 117.17 1nr3 n ARG 4 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1nr3 n ARG 4 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 0.00 -0.98 2.57 2.89 0.00 -1.26 -4.92 105.19 103.49 1nr3 n GLY 5 Ca 0.00 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.48 3.13 0.07 1.61 4.27 -1.26 -4.59 117.44 118.19 1nr3 n TRP 6 Ca 0.00 -2.74 -0.12 0.00 -3.89 0.00 0.00 57.50 50.75 1nr3 n TRP 6 Cb 0.00 -1.35 -0.08 0.00 -1.36 0.00 0.00 31.31 28.52 1nr3 n TRP 6 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1nr3 h SER 7 N 2.42 -0.20 0.00 -0.67 0.87 -1.96 -3.45 113.55 110.55 1nr3 h SER 7 Ca 0.59 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1nr3 h SER 7 Cb 0.48 0.05 -0.13 0.00 -0.44 0.00 0.00 62.40 62.37 1nr3 h SER 7 CO 1.53 0.29 -0.07 1.67 -0.53 0.00 0.00 176.83 179.73 1nr3 n GLN 8 N -4.97 0.19 0.00 2.24 7.27 -1.26 -5.04 117.38 115.81 1nr3 n GLN 8 Ca -0.08 -0.80 0.00 0.00 0.07 0.00 0.00 57.00 56.19 1nr3 n GLN 8 Cb 0.26 -0.33 0.00 0.00 2.41 0.00 0.00 30.24 32.58 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 1.36 0.00 0.00 3.69 3.00 -1.26 -5.05 118.16 119.90 1nr3 n LYS 9 Ca 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1nr3 n LYS 9 Cb 0.71 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 35.19 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 -1.21 0.00 0.00 1.64 4.81 -1.26 -4.89 118.16 117.25 1nr3 n LYS 10 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1nr3 n LYS 10 Cb 0.00 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.26 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1nr3 n ILE 11 N -0.80 1.14 -0.46 3.15 5.41 -1.26 -3.01 119.36 123.54 1nr3 n ILE 11 Ca 0.00 0.28 0.39 0.00 1.00 0.00 0.00 62.75 64.42 1nr3 n ILE 11 Cb 0.00 -1.13 0.66 0.00 -0.71 0.00 0.00 39.64 38.47 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 2.37 2.77 0.72 -1.39 0.00 -1.93 0.72 119.26 122.51 1nr3 h ALA 12 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nr3 h ALA 12 Cb 0.13 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nr3 h ALA 12 CO 0.00 -1.44 -0.35 0.00 0.00 0.00 0.00 179.25 177.46 1nr3 h ARG 13 N 0.04 -0.93 -0.25 0.00 3.08 -1.92 0.45 114.38 114.84 1nr3 h ARG 13 Ca 0.86 0.06 0.07 0.00 0.07 0.00 0.00 59.98 61.04 1nr3 h ARG 13 Cb 2.71 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 32.96 1nr3 h ARG 13 CO -0.46 -0.61 0.26 1.49 -1.07 0.00 0.00 179.97 179.58 1nr3 h GLU 14 N -0.99 0.00 0.07 0.04 4.81 0.11 0.27 114.58 118.90 1nr3 h GLU 14 Ca -0.10 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1nr3 h GLU 14 Cb 0.75 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.14 1nr3 h GLU 14 CO 0.16 0.00 -0.69 -0.07 -0.73 0.00 0.00 179.01 177.68 1nr3 h LEU 15 N 0.00 0.49 -1.91 1.64 4.07 -0.38 -2.77 115.31 116.44 1nr3 h LEU 15 Ca 0.12 -0.86 0.10 0.00 0.08 0.00 0.00 57.88 57.33 1nr3 h LEU 15 Cb 0.63 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1nr3 h LEU 15 CO -0.00 1.29 0.30 0.07 -1.08 0.00 0.00 178.44 179.02 1nr3 h LYS 16 N -0.26 0.09 0.00 1.13 5.09 0.19 0.35 116.57 123.17 1nr3 h LYS 16 Ca -0.11 -0.01 -0.14 0.00 0.09 0.00 0.00 60.65 60.49 1nr3 h LYS 16 Cb 1.46 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.75 1nr3 h LYS 16 CO 0.13 0.06 -0.68 1.15 -2.09 0.00 0.00 179.45 178.03 1nr3 h THR 17 N 0.10 1.29 -3.37 0.07 2.02 -1.26 -3.45 112.91 108.31 1nr3 h THR 17 Ca 0.20 -2.50 -0.50 0.00 0.77 0.00 0.00 66.41 64.38 1nr3 h THR 17 Cb 0.66 2.43 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 1nr3 h THR 17 CO -0.02 0.67 -0.02 0.28 0.37 0.00 0.00 175.52 176.80 1nr3 s THR 18 N -3.12 4.94 0.00 3.16 -1.32 0.12 -4.89 115.64 114.54 1nr3 s THR 18 Ca 0.01 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1nr3 s THR 18 Cb 0.10 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 1nr3 s THR 18 CO 0.76 -0.55 0.00 -2.11 -2.21 0.00 0.00 174.62 170.52 1nr3 n ARG 19 N -1.50 0.00 -1.54 7.08 1.85 -1.26 -4.81 116.66 116.48 1nr3 n ARG 19 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 1nr3 n ARG 19 Cb 0.55 0.00 -0.02 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 -2.10 -1.51 -1.61 2.89 -0.06 -1.26 -0.05 117.38 113.68 1nr3 n GLN 20 Ca 0.00 0.43 -0.07 0.00 -2.00 0.00 0.00 57.00 55.35 1nr3 n GLN 20 Cb 0.00 -4.67 -0.02 0.00 -4.06 0.00 0.00 30.24 21.49 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 -0.33 -2.13 -0.00 1.69 4.13 -1.26 -4.60 115.26 112.76 1nr3 n ASN 21 Ca -0.08 0.22 0.01 0.00 1.68 0.00 0.00 54.58 56.42 1nr3 n ASN 21 Cb 0.33 -2.09 -0.02 0.00 -1.54 0.00 0.00 39.78 36.45 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1nr3 n VAL 22 N -1.97 0.01 -1.77 2.41 0.31 0.93 -4.73 118.33 113.53 1nr3 n VAL 22 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1nr3 n VAL 22 Cb 0.34 0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 1nr3 n VAL 22 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nr3 n SER 23 N -1.62 0.00 -3.12 4.52 7.64 -0.31 -4.96 113.62 115.77 1nr3 n SER 23 Ca -0.01 -1.43 -0.22 0.00 1.01 0.00 0.00 58.87 58.23 1nr3 n SER 23 Cb 0.09 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr3 n ALA 24 N 0.00 4.90 0.09 -0.43 0.00 -1.17 -4.37 120.51 119.53 1nr3 n ALA 24 Ca 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 53.44 51.35 1nr3 n ALA 24 Cb 0.59 -2.98 0.12 0.00 0.00 0.00 0.00 19.45 17.18 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 3.33 1.39 -0.15 0.00 2.04 -1.92 -0.05 117.51 122.16 1nr3 h ILE 25 Ca 0.50 -2.01 -0.21 0.00 1.00 0.00 0.00 64.86 64.14 1nr3 h ILE 25 Cb 0.22 2.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1nr3 h ILE 25 CO 1.40 0.59 -0.72 1.05 0.00 0.00 0.00 178.15 180.47 1nr3 h GLU 26 N 0.16 0.75 -0.00 2.37 9.09 -1.97 -0.29 114.58 124.69 1nr3 h GLU 26 Ca -0.01 -0.61 -0.00 0.00 0.05 0.00 0.00 59.36 58.79 1nr3 h GLU 26 Cb 1.12 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1nr3 h GLU 26 CO 0.09 1.22 -0.00 -0.09 0.05 0.00 0.00 179.01 180.28 1nr3 h ARG 27 N 0.46 0.01 0.71 1.06 9.65 -1.89 -1.65 114.38 122.73 1nr3 h ARG 27 Ca -0.05 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1nr3 h ARG 27 Cb 1.36 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.94 1nr3 h ARG 27 CO 0.15 0.42 -0.34 0.87 2.80 0.00 0.00 179.97 183.86 1nr3 h LYS 28 N -0.41 -0.92 -0.63 0.20 6.56 -1.07 0.29 116.57 120.59 1nr3 h LYS 28 Ca 0.00 0.06 0.10 0.00 -1.06 0.00 0.00 60.65 59.75 1nr3 h LYS 28 Cb 0.42 0.21 -0.11 0.00 -0.57 0.00 0.00 32.23 32.17 1nr3 h LYS 28 CO 0.00 -0.62 -0.40 0.00 -2.06 0.00 0.00 179.45 176.37 1nr3 h ALA 29 N -0.67 -0.21 0.00 3.86 0.00 -1.10 1.46 119.26 122.61 1nr3 h ALA 29 Ca -0.10 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nr3 h ALA 29 Cb 0.74 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1nr3 h ALA 29 CO 0.16 -0.77 -0.03 0.52 0.00 0.00 0.00 179.25 179.14 1nr3 h MET 30 N -0.18 0.00 -2.01 0.00 2.86 -1.11 -2.49 114.93 111.99 1nr3 h MET 30 Ca 0.21 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.72 1nr3 h MET 30 Cb 0.56 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 1nr3 h MET 30 CO -0.72 0.03 -0.26 0.39 1.06 0.00 0.00 176.91 177.41 1nr3 n GLU 31 N -3.26 1.66 -3.13 1.72 -0.58 0.50 -4.64 120.64 112.92 1nr3 n GLU 31 Ca -0.02 -0.67 -0.17 0.00 -0.42 0.00 0.00 57.16 55.87 1nr3 n GLU 31 Cb 0.17 -1.68 -0.01 0.00 -0.57 0.00 0.00 31.44 29.35 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 2.19 -2.69 -4.49 1.62 3.02 -1.16 -4.80 115.26 108.95 1nr3 n ASN 32 Ca 0.29 -0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1nr3 n ASN 32 Cb 0.78 -2.30 0.03 0.00 -0.61 0.00 0.00 39.78 37.67 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 -3.45 2.21 0.03 2.41 3.06 -0.95 -4.90 119.36 117.77 1nr3 n ILE 33 Ca -0.01 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.74 1nr3 n ILE 33 Cb 0.53 -0.72 0.00 0.00 0.54 0.00 0.00 39.64 39.99 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 0.10 0.00 -0.03 9.51 4.71 -1.26 -4.89 120.64 128.79 1nr3 n GLU 34 Ca 0.11 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.29 1nr3 n GLU 34 Cb 0.44 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.91 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1nr3 n LYS 35 N -2.66 0.73 -1.21 3.49 4.01 -1.26 -4.95 118.16 116.30 1nr3 n LYS 35 Ca 0.00 -1.12 -0.07 0.00 -0.51 0.00 0.00 58.31 56.60 1nr3 n LYS 35 Cb 0.00 -1.12 -0.03 0.00 -0.51 0.00 0.00 35.03 33.37 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1nr3 n SER 36 N 0.24 -5.22 -2.32 4.39 7.64 -1.26 -2.25 113.62 114.83 1nr3 n SER 36 Ca 0.04 0.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 1nr3 n SER 36 Cb 0.20 -3.37 -0.01 0.00 -1.01 0.00 0.00 64.21 60.02 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 -1.00 -2.23 -2.43 1.43 5.12 -1.26 0.86 116.66 117.14 1nr3 n ARG 37 Ca -0.07 0.51 -0.13 0.00 -1.93 0.00 0.00 57.85 56.22 1nr3 n ARG 37 Cb 0.46 -5.05 -0.01 0.00 -1.16 0.00 0.00 32.46 26.71 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 -1.58 -4.17 0.00 0.55 4.13 -0.95 -4.89 115.26 108.35 1nr3 n ASN 38 Ca -0.12 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1nr3 n ASN 38 Cb 0.56 -3.53 0.00 0.00 -1.54 0.00 0.00 39.78 35.27 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1nr3 n THR 39 N -3.47 0.00 -0.44 3.41 -1.04 0.25 -1.37 114.28 111.62 1nr3 n THR 39 Ca -0.16 0.23 0.40 0.00 -2.04 0.00 0.00 64.05 62.48 1nr3 n THR 39 Cb 0.62 -0.54 0.76 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.04 0.60 -4.42 -0.00 -1.91 0.45 115.31 110.06 1nr3 h LEU 40 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1nr3 h LEU 40 Cb 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1nr3 h LEU 40 CO 0.00 -0.01 -0.29 -0.78 -0.00 0.00 0.00 178.44 177.37 1nr3 h ASP 41 N 0.02 -0.68 -0.93 0.17 3.58 -1.88 0.51 116.42 117.21 1nr3 h ASP 41 Ca 0.69 -0.03 0.22 0.00 0.42 0.00 0.00 57.03 58.34 1nr3 h ASP 41 Cb 2.70 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 43.85 1nr3 h ASP 41 CO -0.05 -0.36 0.62 0.15 -2.88 0.00 0.00 179.24 176.73 1nr3 h PHE 42 N -1.01 0.49 0.00 0.28 3.57 0.11 1.03 116.94 121.42 1nr3 h PHE 42 Ca -0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1nr3 h PHE 42 Cb 0.67 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1nr3 h PHE 42 CO -0.00 0.11 -0.43 -0.24 -2.23 0.00 0.00 178.31 175.51 1nr3 h VAL 43 N 0.35 0.39 -0.44 1.41 3.04 -1.04 -3.25 116.25 116.71 1nr3 h VAL 43 Ca 0.49 -1.58 -0.12 0.00 -1.01 0.00 0.00 66.70 64.48 1nr3 h VAL 43 Cb 1.31 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 32.70 1nr3 h VAL 43 CO -0.18 0.22 -0.19 0.07 -1.01 0.00 0.00 177.57 176.49 1nr3 h LYS 44 N 0.00 0.91 -0.86 4.17 5.09 0.62 -2.92 116.57 123.59 1nr3 h LYS 44 Ca -0.02 -0.39 0.19 0.00 0.09 0.00 0.00 60.65 60.53 1nr3 h LYS 44 Cb 1.21 -0.03 -0.11 0.00 0.10 0.00 0.00 32.23 33.39 1nr3 h LYS 44 CO 0.03 1.04 0.37 1.03 -2.09 0.00 0.00 179.45 179.83 1nr3 h SER 45 N 0.74 0.33 -0.95 7.07 0.87 -1.20 -0.54 113.55 119.87 1nr3 h SER 45 Ca 0.10 0.14 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 1nr3 h SER 45 Cb 0.75 0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 62.68 1nr3 h SER 45 CO 0.06 0.05 -0.41 0.18 -0.53 0.00 0.00 176.83 176.18 1nr3 n LEU 46 N -5.02 -0.69 -3.43 2.23 4.77 -1.10 -4.81 117.00 108.94 1nr3 n LEU 46 Ca 0.19 1.66 -0.18 0.00 -0.03 0.00 0.00 56.01 57.66 1nr3 n LEU 46 Cb 0.56 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1nr3 n LEU 46 CO 0.15 -1.46 0.05 0.29 -1.33 0.00 0.00 177.39 175.09 1nr3 n LYS 47 N -5.36 -4.93 -3.12 3.23 5.02 -0.21 -4.97 118.16 107.82 1nr3 n LYS 47 Ca 0.08 0.80 -0.36 0.00 -2.02 0.00 0.00 58.31 56.82 1nr3 n LYS 47 Cb 0.35 -5.68 -0.06 0.00 -0.02 0.00 0.00 35.03 29.63 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nr3 s SER 48 N -4.06 7.02 0.51 4.39 1.04 -1.26 -4.45 113.70 116.89 1nr3 s SER 48 Ca 0.15 1.38 -0.19 0.00 0.48 0.00 0.00 55.95 57.76 1nr3 s SER 48 Cb -0.02 -2.41 -0.08 0.00 0.10 0.00 0.00 66.02 63.61 1nr3 s SER 48 CO 0.75 0.02 1.04 -2.16 0.98 0.00 0.00 173.24 173.87 1nr3 s PRO 49 N -2.04 3.72 0.07 4.02 0.04 -1.05 -4.30 135.00 135.46 1nr3 s PRO 49 Ca 0.43 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1nr3 s PRO 49 Cb -0.16 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1nr3 s PRO 49 CO 0.21 -0.49 0.36 0.08 0.04 0.00 0.00 177.00 177.19 1nr3 s VAL 50 N -2.08 0.07 -0.16 -0.36 1.01 0.80 -4.96 120.40 114.72 1nr3 s VAL 50 Ca 0.66 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1nr3 s VAL 50 Cb -0.16 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.21 1nr3 s VAL 50 CO 0.23 -0.34 0.49 0.00 0.00 0.00 0.00 175.10 175.48 1nr3 s ARG 51 N -3.04 0.61 -0.06 2.72 3.03 -1.26 -0.49 118.95 120.46 1nr3 s ARG 51 Ca -0.02 0.59 -0.28 0.00 2.03 0.00 0.00 55.73 58.05 1nr3 s ARG 51 Cb 0.01 0.30 0.06 0.00 -1.03 0.00 0.00 34.95 34.28 1nr3 s ARG 51 CO -0.06 -0.09 0.63 0.96 -1.13 0.00 0.00 175.30 175.60 1nr3 s ILE 52 N 0.04 0.01 0.03 4.99 -4.36 -0.34 -4.46 121.20 117.10 1nr3 s ILE 52 Ca -0.02 -0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.28 1nr3 s ILE 52 Cb -0.03 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1nr3 s ILE 52 CO 0.02 -0.03 0.22 -0.22 0.24 0.00 0.00 174.94 175.16 1nr3 s LEU 53 N -1.09 4.36 -0.14 0.37 0.20 -1.26 -1.00 118.68 120.11 1nr3 s LEU 53 Ca -0.11 0.37 -0.01 0.00 0.69 0.00 0.00 54.13 55.07 1nr3 s LEU 53 Cb -0.01 -2.80 -0.02 0.00 -0.43 0.00 0.00 46.19 42.93 1nr3 s LEU 53 CO 0.09 0.21 -0.09 0.00 -0.29 0.00 0.00 176.35 176.26 1nr3 n ARG 55 N 3.48 1.55 -1.64 0.00 5.12 -1.26 -1.67 116.66 122.24 1nr3 n ARG 55 Ca -0.18 -1.33 -0.49 0.00 -1.93 0.00 0.00 57.85 53.91 1nr3 n ARG 55 Cb 0.53 0.35 -0.05 0.00 -1.16 0.00 0.00 32.46 32.13 1nr3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nr3 n ARG 56 N -0.47 1.66 -0.23 5.56 1.74 -1.26 -4.50 116.66 119.17 1nr3 n ARG 56 Ca -0.07 0.60 0.26 0.00 -0.77 0.00 0.00 57.85 57.87 1nr3 n ARG 56 Cb 0.23 -2.31 0.65 0.00 -1.02 0.00 0.00 32.46 30.00 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 5.64 0.38 2.00 -0.13 0.00 -1.81 1.34 103.07 110.49 1nr3 h GLY 57 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1nr3 h GLY 57 CO 0.85 -0.02 0.00 -1.80 0.00 0.00 0.00 176.54 175.57 1nr3 h ASP 58 N 0.15 0.00 -0.11 0.19 3.58 -1.90 0.21 116.42 118.54 1nr3 h ASP 58 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1nr3 h ASP 58 Cb 1.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1nr3 h ASP 58 CO -0.09 0.00 0.00 1.07 -2.88 0.00 0.00 179.24 177.34 1nr3 n THR 59 N -2.59 0.83 -0.30 2.25 5.66 0.45 -4.65 114.28 115.94 1nr3 n THR 59 Ca -0.02 -0.92 0.05 0.00 -3.05 0.00 0.00 64.05 60.12 1nr3 n THR 59 Cb 0.08 0.60 0.19 0.00 -1.55 0.00 0.00 70.33 69.65 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 0.81 0.64 -0.34 1.09 5.85 0.14 1.72 115.31 125.21 1nr3 h LEU 60 Ca 0.00 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1nr3 h LEU 60 Cb 0.52 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1nr3 h LEU 60 CO 0.00 0.33 -0.03 -2.24 -0.34 0.00 0.00 178.44 176.16 1nr3 h ASP 61 N 0.74 -0.20 -0.13 1.25 3.04 -1.83 0.70 116.42 120.00 1nr3 h ASP 61 Ca 0.43 0.09 -0.20 0.00 -3.24 0.00 0.00 57.03 54.11 1nr3 h ASP 61 Cb 0.48 0.16 0.01 0.00 -1.04 0.00 0.00 39.33 38.95 1nr3 h ASP 61 CO -0.29 -0.06 -0.69 -0.08 -2.04 0.00 0.00 179.24 176.08 1nr3 h GLU 62 N 0.06 0.70 -0.11 4.15 4.81 -1.41 -2.98 114.58 119.80 1nr3 h GLU 62 Ca 0.17 -0.58 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1nr3 h GLU 62 Cb 0.24 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1nr3 h GLU 62 CO -0.30 1.19 0.09 0.97 -0.73 0.00 0.00 179.01 180.23 1nr3 h ILE 63 N 0.39 0.78 0.18 2.32 -0.00 0.32 -1.31 117.51 120.19 1nr3 h ILE 63 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.80 1nr3 h ILE 63 Cb 1.33 0.93 0.00 0.00 -0.00 0.00 0.00 36.82 39.08 1nr3 h ILE 63 CO 0.14 0.00 -0.09 0.40 -0.00 0.00 0.00 178.15 178.61 1nr3 h ILE 64 N 0.00 0.87 -0.39 2.19 2.04 0.57 0.82 117.51 123.61 1nr3 h ILE 64 Ca 0.05 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1nr3 h ILE 64 Cb 0.23 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1nr3 h ILE 64 CO -0.00 0.05 0.24 0.07 0.00 0.00 0.00 178.15 178.51 1nr3 h LYS 65 N -0.34 0.52 -0.08 2.37 2.10 -1.29 -0.89 116.57 118.96 1nr3 h LYS 65 Ca -0.02 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.41 1nr3 h LYS 65 Cb 0.27 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1nr3 h LYS 65 CO 0.04 0.37 -0.72 0.00 -2.00 0.00 0.00 179.45 177.14 1nr3 h ARG 66 N 0.54 0.39 -0.10 0.07 2.47 -0.72 -3.20 114.38 113.83 1nr3 h ARG 66 Ca 0.14 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1nr3 h ARG 66 Cb -0.02 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1nr3 h ARG 66 CO -0.03 0.96 0.06 -0.07 0.56 0.00 0.00 179.97 181.45 1nr3 h LEU 67 N 0.27 0.12 -0.71 3.04 3.38 0.20 -2.55 115.31 119.06 1nr3 h LEU 67 Ca -0.03 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1nr3 h LEU 67 Cb 1.29 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 1nr3 h LEU 67 CO 0.12 0.12 -0.22 -0.07 0.09 0.00 0.00 178.44 178.49 1nr3 h LEU 68 N 0.11 -0.81 -2.34 1.67 3.38 -1.32 2.40 115.31 118.40 1nr3 h LEU 68 Ca 0.04 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1nr3 h LEU 68 Cb 0.02 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nr3 h LEU 68 CO -0.01 -0.26 0.18 -0.33 0.09 0.00 0.00 178.44 178.12 1nr3 h GLU 69 N -0.04 0.00 0.10 1.13 4.39 -1.48 3.75 114.58 122.44 1nr3 h GLU 69 Ca 0.33 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.69 1nr3 h GLU 69 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1nr3 h GLU 69 CO -0.75 0.00 -1.81 0.93 -1.16 0.00 0.00 179.01 176.23 1nr3 h GLU 70 N 0.00 0.22 0.00 2.33 4.39 0.38 -3.33 114.58 118.57 1nr3 h GLU 70 Ca 0.05 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1nr3 h GLU 70 Cb 0.42 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1nr3 h GLU 70 CO -0.00 1.18 -0.43 0.43 -1.16 0.00 0.00 179.01 179.03 1nr3 n SER 71 N -3.71 1.32 -0.46 1.42 7.64 0.36 -4.08 113.62 116.11 1nr3 n SER 71 Ca -0.31 0.48 0.40 0.00 1.01 0.00 0.00 58.87 60.44 1nr3 n SER 71 Cb 0.97 -0.75 0.67 0.00 -1.01 0.00 0.00 64.21 64.09 1nr3 n SER 71 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1nr3 n ASN 72 N -3.95 0.22 -0.00 6.43 5.15 1.23 0.22 115.26 124.55 1nr3 n ASN 72 Ca -0.06 1.39 -0.09 0.00 -0.60 0.00 0.00 54.58 55.22 1nr3 n ASN 72 Cb 0.22 -0.68 -0.03 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 -0.15 -0.38 1.20 6.56 -1.53 -1.41 116.57 120.86 1nr3 h LYS 73 Ca 0.87 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.48 1nr3 h LYS 73 Cb 2.79 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 34.49 1nr3 h LYS 73 CO -0.48 -0.10 0.00 -0.85 -2.06 0.00 0.00 179.45 175.96 1nr3 n GLU 74 N -5.28 2.32 -1.92 3.15 0.28 0.57 -4.94 120.64 114.83 1nr3 n GLU 74 Ca -0.03 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.97 1nr3 n GLU 74 Cb 0.19 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 1.42 4.26 3.95 -1.84 0.00 0.58 -5.05 105.19 108.51 1nr3 n GLY 75 Ca 0.19 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.27 4.33 -0.64 -0.61 -1.09 -1.26 -4.66 121.20 116.01 1nr3 s ILE 76 Ca 0.00 -0.43 -0.27 0.00 -2.23 0.00 0.00 60.65 57.72 1nr3 s ILE 76 Cb 0.00 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.16 1nr3 s ILE 76 CO 0.00 -0.43 2.48 1.41 -1.23 0.00 0.00 174.94 177.17 1nr3 n HIS 77 N -2.02 1.17 -4.20 3.97 8.25 -1.26 -4.63 115.22 116.50 1nr3 n HIS 77 Ca -0.00 0.17 -0.18 0.00 -0.26 0.00 0.00 57.72 57.45 1nr3 n HIS 77 Cb 0.57 -2.53 -0.15 0.00 1.12 0.00 0.00 29.99 29.00 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nr3 s VAL 78 N 11.38 0.51 -0.67 1.59 1.01 -1.26 -4.90 120.40 128.07 1nr3 s VAL 78 Ca 1.08 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1nr3 s VAL 78 Cb -0.45 -0.49 0.39 0.00 0.00 0.00 0.00 36.38 35.83 1nr3 s VAL 78 CO 0.31 0.18 1.66 2.30 0.00 0.00 0.00 175.10 179.55 1nr3 n ILE 79 N 3.48 3.11 -2.39 2.22 -5.35 -1.26 -4.86 119.36 114.31 1nr3 n ILE 79 Ca -0.20 -4.45 -0.25 0.00 -0.27 0.00 0.00 62.75 57.58 1nr3 n ILE 79 Cb 0.54 -1.24 0.05 0.00 -1.74 0.00 0.00 39.64 37.24 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 -3.85 3.06 0.33 4.28 3.76 -1.26 -4.42 115.29 117.19 1nr3 s HIS 80 Ca 0.51 0.44 0.08 0.00 -0.15 0.00 0.00 55.06 55.94 1nr3 s HIS 80 Cb 0.43 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 31.16 1nr3 s HIS 80 CO -0.29 -1.04 -0.05 0.16 -0.85 0.00 0.00 174.74 172.67 1nr3 s ASP 81 N -4.40 3.30 0.55 1.40 1.47 -1.26 -4.83 116.67 112.90 1nr3 s ASP 81 Ca 0.56 -1.24 0.26 0.00 1.18 0.00 0.00 52.55 53.32 1nr3 s ASP 81 Cb -0.11 -0.27 1.45 0.00 -0.34 0.00 0.00 42.92 43.65 1nr3 s ASP 81 CO 0.43 -0.32 2.01 -1.28 0.68 0.00 0.00 175.17 176.69 1nr3 h SER 82 N 2.08 0.00 -0.21 2.11 0.87 -1.92 1.20 113.55 117.67 1nr3 h SER 82 Ca -0.41 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 1nr3 h SER 82 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1nr3 h SER 82 CO 0.71 0.00 -0.19 0.40 -0.53 0.00 0.00 176.83 177.22 1nr3 h ILE 83 N 0.00 1.32 0.01 2.23 2.04 -1.96 -1.93 117.51 119.23 1nr3 h ILE 83 Ca 0.21 -1.33 -0.21 0.00 1.00 0.00 0.00 64.86 64.53 1nr3 h ILE 83 Cb 0.90 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1nr3 h ILE 83 CO -0.00 0.41 -0.91 0.74 0.00 0.00 0.00 178.15 178.38 1nr3 h THR 84 N 0.18 1.49 -0.92 -0.27 2.02 -1.14 -3.04 112.91 111.24 1nr3 h THR 84 Ca 0.04 -2.66 0.01 0.00 0.77 0.00 0.00 66.41 64.56 1nr3 h THR 84 Cb 0.72 2.51 -0.05 0.00 -1.74 0.00 0.00 68.15 69.59 1nr3 h THR 84 CO 0.05 0.78 0.60 -0.07 0.37 0.00 0.00 175.52 177.24 1nr3 h LEU 85 N 0.12 1.06 -0.50 2.58 4.07 0.14 1.51 115.31 124.29 1nr3 h LEU 85 Ca -0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1nr3 h LEU 85 Cb 1.56 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1nr3 h LEU 85 CO 0.14 0.78 0.19 0.00 -1.08 0.00 0.00 178.44 178.47 1nr3 h ALA 86 N 1.33 0.64 0.05 1.53 0.00 -1.33 0.70 119.26 122.19 1nr3 h ALA 86 Ca 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nr3 h ALA 86 Cb -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1nr3 h ALA 86 CO -0.07 0.26 -0.02 0.35 0.00 0.00 0.00 179.25 179.76 1nr3 h PHE 87 N 0.66 -0.06 -0.16 0.00 3.04 -1.23 0.25 116.94 119.44 1nr3 h PHE 87 Ca 0.16 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.13 1nr3 h PHE 87 Cb 0.20 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1nr3 h PHE 87 CO 0.01 0.46 0.03 -0.07 -2.02 0.00 0.00 178.31 176.71 1nr3 h LEU 88 N -0.63 0.00 -0.07 0.59 4.07 0.22 -2.54 115.31 116.95 1nr3 h LEU 88 Ca -0.01 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1nr3 h LEU 88 Cb 0.55 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1nr3 h LEU 88 CO 0.01 0.03 0.03 0.40 -1.08 0.00 0.00 178.44 177.83 1nr3 h ILE 89 N 0.09 1.09 -1.35 1.22 2.04 0.37 -2.19 117.51 118.78 1nr3 h ILE 89 Ca 0.07 -0.25 0.46 0.00 1.00 0.00 0.00 64.86 66.14 1nr3 h ILE 89 Cb 0.07 1.14 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 1nr3 h ILE 89 CO -0.10 0.07 0.87 0.54 0.00 0.00 0.00 178.15 179.54 1nr3 n ARG 90 N -4.99 -0.03 -0.01 2.37 1.74 0.89 0.32 116.66 116.95 1nr3 n ARG 90 Ca -0.06 1.20 -0.17 0.00 -0.77 0.00 0.00 57.85 58.05 1nr3 n ARG 90 Cb 0.07 -2.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.03 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 0.48 -0.02 5.56 5.08 -1.13 0.79 114.58 125.34 1nr3 h GLU 91 Ca 0.85 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1nr3 h GLU 91 Cb 2.77 0.11 0.00 0.00 0.50 0.00 0.00 28.75 32.13 1nr3 h GLU 91 CO -0.44 1.09 0.00 1.63 -1.00 0.00 0.00 179.01 180.29 1nr3 n LYS 92 N -4.21 1.35 -2.67 2.33 4.01 0.69 -4.46 118.16 115.21 1nr3 n LYS 92 Ca -0.09 -0.52 -0.03 0.00 -0.51 0.00 0.00 58.31 57.16 1nr3 n LYS 92 Cb 0.65 -1.46 0.03 0.00 -0.51 0.00 0.00 35.03 33.74 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nr3 s ALA 93 N -1.98 -4.74 -2.00 7.82 0.00 0.97 -4.85 121.76 116.98 1nr3 s ALA 93 Ca 0.40 0.76 0.21 0.00 0.00 0.00 0.00 51.96 53.33 1nr3 s ALA 93 Cb 0.20 -3.02 1.23 0.00 0.00 0.00 0.00 23.12 21.54 1nr3 s ALA 93 CO 0.33 -2.56 1.76 0.45 0.00 0.00 0.00 175.76 175.74 1nr3 n SER 94 N 2.65 0.00 0.00 0.00 2.88 0.27 -3.73 113.62 115.69 1nr3 n SER 94 Ca 0.10 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1nr3 n SER 94 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 -0.84 0.00 -3.65 0.66 8.25 -1.26 -4.87 115.22 113.50 1nr3 n HIS 95 Ca 0.15 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.22 1nr3 n HIS 95 Cb 0.07 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.12 2.81 0.44 -0.41 0.52 -1.26 -5.07 118.95 115.86 1nr3 s ARG 96 Ca 0.00 -1.08 0.06 0.00 -0.52 0.00 0.00 55.73 54.19 1nr3 s ARG 96 Cb 0.00 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1nr3 s ARG 96 CO 0.00 -0.66 0.13 0.42 0.02 0.00 0.00 175.30 175.21 1nr3 s ILE 97 N 1.51 1.95 -0.03 1.52 1.09 -1.26 -4.92 121.20 121.06 1nr3 s ILE 97 Ca 0.01 -1.80 -0.12 0.00 -1.10 0.00 0.00 60.65 57.64 1nr3 s ILE 97 Cb -0.19 -2.75 -0.05 0.00 -1.06 0.00 0.00 42.46 38.41 1nr3 s ILE 97 CO 0.05 0.00 0.33 0.54 -0.10 0.00 0.00 174.94 175.76 1nr3 s VAL 98 N -2.70 5.18 0.06 2.92 0.11 -1.26 -5.09 120.40 119.62 1nr3 s VAL 98 Ca 0.32 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 60.00 1nr3 s VAL 98 Cb 0.04 -3.62 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1nr3 s VAL 98 CO 0.18 0.57 0.06 1.57 -3.33 0.00 0.00 175.10 174.15 1nr3 n HIS 99 N 1.79 -1.97 -3.63 1.54 -0.00 -1.26 -4.62 115.22 107.07 1nr3 n HIS 99 Ca -0.15 -0.26 -0.14 0.00 0.46 0.00 0.00 57.72 57.63 1nr3 n HIS 99 Cb 0.53 -0.06 -0.13 0.00 -0.12 0.00 0.00 29.99 30.21 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1nr3 s ARG 100 N -2.27 0.14 0.10 1.57 1.70 -1.26 -4.99 118.95 113.94 1nr3 s ARG 100 Ca 0.05 0.65 0.07 0.00 -0.47 0.00 0.00 55.73 56.02 1nr3 s ARG 100 Cb -0.00 -0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 1nr3 s ARG 100 CO 0.03 -0.35 -0.09 0.54 -1.08 0.00 0.00 175.30 174.36 1nr3 s VAL 101 N 2.40 3.46 -0.53 4.99 0.11 -1.26 -4.96 120.40 124.60 1nr3 s VAL 101 Ca 0.03 -1.21 0.07 0.00 -2.93 0.00 0.00 61.98 57.94 1nr3 s VAL 101 Cb -0.13 -2.61 0.29 0.00 -1.53 0.00 0.00 36.38 32.40 1nr3 s VAL 101 CO -0.09 0.13 0.75 0.52 -3.33 0.00 0.00 175.10 173.09 1nr3 n VAL 102 N 0.74 1.51 0.00 2.04 0.31 -1.26 -2.64 118.33 119.03 1nr3 n VAL 102 Ca -0.13 -4.97 0.00 0.00 -0.01 0.00 0.00 64.34 59.23 1nr3 n VAL 102 Cb 0.52 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1nr3 n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1nr3 n LYS 103 N 0.57 0.00 -4.49 5.55 0.00 -1.26 -4.79 118.16 113.74 1nr3 n LYS 103 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.34 1nr3 n LYS 103 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.41 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 -1.30 2.63 -0.14 3.14 0.15 -1.26 -5.02 113.70 111.90 1nr3 s SER 104 Ca 0.00 -1.61 -0.07 0.00 0.70 0.00 0.00 55.95 54.97 1nr3 s SER 104 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1nr3 s SER 104 CO 0.00 -0.87 0.10 -0.62 1.20 0.00 0.00 173.24 173.05 1nr3 s ASP 105 N -3.57 6.06 -0.12 5.45 -1.08 -1.26 -4.42 116.67 117.72 1nr3 s ASP 105 Ca 0.27 0.31 -0.09 0.00 -0.52 0.00 0.00 52.55 52.52 1nr3 s ASP 105 Cb 0.04 -1.96 0.04 0.00 -1.46 0.00 0.00 42.92 39.57 1nr3 s ASP 105 CO 0.15 0.32 0.31 0.12 0.52 0.00 0.00 175.17 176.59 1nr3 s PHE 106 N -0.52 -0.39 -0.01 -5.34 2.19 -0.67 -4.42 117.98 108.82 1nr3 s PHE 106 Ca 0.11 0.91 -0.00 0.00 0.33 0.00 0.00 56.93 58.28 1nr3 s PHE 106 Cb -0.12 0.13 -0.04 0.00 -1.31 0.00 0.00 43.02 41.68 1nr3 s PHE 106 CO 0.02 -0.22 0.07 -1.21 1.83 0.00 0.00 175.22 175.71 1nr3 s GLU 107 N 0.72 3.05 0.00 10.12 2.02 0.36 0.95 118.70 135.91 1nr3 s GLU 107 Ca -0.05 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1nr3 s GLU 107 Cb -0.06 -2.85 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 1nr3 s GLU 107 CO -0.05 0.65 -0.01 0.42 0.02 0.00 0.00 175.26 176.29 1nr3 s ILE 108 N -1.17 0.07 0.21 -1.63 1.09 -0.17 -1.84 121.20 117.75 1nr3 s ILE 108 Ca 0.22 -0.11 -0.19 0.00 -1.10 0.00 0.00 60.65 59.47 1nr3 s ILE 108 Cb -0.12 -0.08 0.03 0.00 -1.06 0.00 0.00 42.46 41.23 1nr3 s ILE 108 CO 0.13 -0.03 0.57 -0.83 -0.10 0.00 0.00 174.94 174.68 1nr3 s GLY 109 N -0.15 -0.16 0.17 6.18 0.00 0.37 -1.20 107.32 112.52 1nr3 s GLY 109 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 1nr3 s GLY 109 CO -0.00 -0.17 0.22 0.54 0.00 0.00 0.00 173.10 173.68 1nr3 s VAL 110 N -3.87 0.06 -0.04 1.40 0.11 0.36 0.25 120.40 118.68 1nr3 s VAL 110 Ca 0.09 -1.62 0.05 0.00 -2.93 0.00 0.00 61.98 57.56 1nr3 s VAL 110 Cb -0.02 -2.02 -0.07 0.00 -1.53 0.00 0.00 36.38 32.74 1nr3 s VAL 110 CO -0.02 -0.28 0.05 0.35 -3.33 0.00 0.00 175.10 171.87 1nr3 n THR 111 N -0.20 0.25 0.00 5.04 -2.24 -1.25 -0.14 114.28 115.73 1nr3 n THR 111 Ca -0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1nr3 n THR 111 Cb 0.63 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.04 0.00 0.00 -0.78 1.74 -1.26 -2.53 116.66 111.79 1nr3 n ARG 112 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1nr3 n ARG 112 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 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 -2.51 0.00 0.00 0.55 2.03 -1.26 -4.69 116.55 110.67 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 -0.13 3.83 0.27 0.00 -1.26 -4.34 105.19 103.56 1nr3 n GLY 114 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.82 3.91 0.21 1.61 2.12 -1.26 -4.67 118.70 119.79 1nr3 s GLU 115 Ca 0.00 1.07 0.01 0.00 0.36 0.00 0.00 54.97 56.41 1nr3 s GLU 115 Cb 0.00 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 1nr3 s GLU 115 CO 0.00 -0.31 0.05 0.96 -0.54 0.00 0.00 175.26 175.43 1nr3 s ILE 116 N -2.44 0.55 -0.01 -3.70 -5.25 -1.26 -3.88 121.20 105.21 1nr3 s ILE 116 Ca 0.61 -1.99 0.03 0.00 -0.99 0.00 0.00 60.65 58.32 1nr3 s ILE 116 Cb -0.11 -2.35 -0.01 0.00 2.95 0.00 0.00 42.46 42.94 1nr3 s ILE 116 CO 0.27 -0.25 -0.10 0.27 -1.79 0.00 0.00 174.94 173.34 1nr3 s ILE 117 N -3.76 0.78 0.08 8.37 -5.25 0.14 -4.96 121.20 116.61 1nr3 s ILE 117 Ca 0.31 -0.44 0.03 0.00 -0.99 0.00 0.00 60.65 59.56 1nr3 s ILE 117 Cb 0.07 -0.65 -0.03 0.00 2.95 0.00 0.00 42.46 44.79 1nr3 s ILE 117 CO 0.08 0.20 -0.10 0.54 -1.79 0.00 0.00 174.94 173.88 1nr3 s VAL 118 N -0.26 0.85 -0.30 8.37 0.11 -1.26 -0.48 120.40 127.43 1nr3 s VAL 118 Ca 0.03 -1.54 -0.16 0.00 -2.93 0.00 0.00 61.98 57.38 1nr3 s VAL 118 Cb -0.04 -1.23 0.18 0.00 -1.53 0.00 0.00 36.38 33.75 1nr3 s VAL 118 CO -0.00 -0.53 1.10 -0.62 -3.33 0.00 0.00 175.10 171.71 1nr3 s ASP 119 N -2.30 -0.35 -0.24 3.54 -1.08 -0.77 -4.93 116.67 110.54 1nr3 s ASP 119 Ca 0.03 0.52 -0.06 0.00 -0.52 0.00 0.00 52.55 52.51 1nr3 s ASP 119 Cb -0.04 1.29 -0.21 0.00 -1.46 0.00 0.00 42.92 42.51 1nr3 s ASP 119 CO -0.00 -0.08 3.44 0.18 0.52 0.00 0.00 175.17 179.23 1nr3 n LEU 120 N 4.18 5.80 -1.62 -1.34 4.32 -1.26 0.13 117.00 127.20 1nr3 n LEU 120 Ca -0.13 -3.44 0.00 0.00 -0.02 0.00 0.00 56.01 52.43 1nr3 n LEU 120 Cb 0.55 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1nr3 n LEU 120 CO -0.01 1.75 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.25 1nr3 n ASN 121 N 2.41 -8.77 0.00 -1.43 5.15 -1.26 -4.84 115.26 106.51 1nr3 n ASN 121 Ca 0.48 1.30 0.00 0.00 -0.60 0.00 0.00 54.58 55.76 1nr3 n ASN 121 Cb 0.79 -4.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.10 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46