#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 0.42 0.07 2.12 0.52 -1.26 -5.17 118.95 115.65 1nr3 s ARG 2 Ca 0.00 -0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1nr3 s ARG 2 Cb 0.00 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1nr3 s ARG 2 CO 0.00 -0.17 -0.25 -1.83 0.02 0.00 0.00 175.30 173.07 1nr3 s GLU 3 N -2.04 1.58 0.00 3.54 -1.05 -1.26 -5.02 118.70 114.45 1nr3 s GLU 3 Ca 0.06 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 1nr3 s GLU 3 Cb -0.01 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 1nr3 s GLU 3 CO -0.05 0.46 0.00 -2.13 0.95 0.00 0.00 175.26 174.50 1nr3 n ARG 4 N 1.51 0.00 -0.77 -4.83 0.63 -1.26 -5.15 116.66 106.78 1nr3 n ARG 4 Ca -0.17 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.78 1nr3 n ARG 4 Cb 0.53 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.42 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 -0.15 -3.32 4.27 5.14 0.00 -1.26 -4.77 105.19 105.10 1nr3 n GLY 5 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.38 -1.20 -0.82 1.61 4.27 -1.26 -4.65 117.44 113.02 1nr3 n TRP 6 Ca -0.01 0.59 -0.25 0.00 -3.89 0.00 0.00 57.50 53.94 1nr3 n TRP 6 Cb 0.27 -2.58 -0.02 0.00 -1.36 0.00 0.00 31.31 27.62 1nr3 n TRP 6 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1nr3 n SER 7 N -2.71 4.79 -4.14 -0.67 3.41 -1.26 -4.47 113.62 108.56 1nr3 n SER 7 Ca -0.27 -2.38 -0.33 0.00 -0.26 0.00 0.00 58.87 55.64 1nr3 n SER 7 Cb 0.64 -1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1nr3 n GLN 8 N 4.52 -0.76 0.03 4.33 0.00 -1.26 -4.86 117.38 119.38 1nr3 n GLN 8 Ca 0.46 0.06 -0.01 0.00 -0.00 0.00 0.00 57.00 57.51 1nr3 n GLN 8 Cb 0.17 -2.98 -0.01 0.00 0.00 0.00 0.00 30.24 27.42 1nr3 n GLN 8 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1nr3 h LYS 9 N -1.74 -0.09 0.00 3.69 1.63 -1.94 -3.47 116.57 114.65 1nr3 h LYS 9 Ca -0.62 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.18 1nr3 h LYS 9 Cb 1.29 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1nr3 h LYS 9 CO 0.61 -0.06 0.00 1.63 -3.45 0.00 0.00 179.45 178.18 1nr3 n LYS 10 N -2.32 0.00 0.00 1.90 5.02 -1.26 -4.87 118.16 116.63 1nr3 n LYS 10 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1nr3 n LYS 10 Cb 0.03 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.77 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1nr3 n ILE 11 N -0.03 0.01 -0.35 -0.18 5.41 -1.26 -3.61 119.36 119.34 1nr3 n ILE 11 Ca 0.00 0.00 0.27 0.00 1.00 0.00 0.00 62.75 64.02 1nr3 n ILE 11 Cb 0.00 -0.62 0.52 0.00 -0.71 0.00 0.00 39.64 38.83 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 3.53 2.16 0.24 -1.39 0.00 -1.90 0.28 119.26 122.18 1nr3 h ALA 12 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1nr3 h ALA 12 Cb 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1nr3 h ALA 12 CO 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 179.25 178.07 1nr3 h ARG 13 N 0.27 -0.70 -0.73 0.00 3.08 -1.91 0.93 114.38 115.31 1nr3 h ARG 13 Ca 0.74 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.97 1nr3 h ARG 13 Cb 1.87 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 32.03 1nr3 h ARG 13 CO -0.54 -0.47 0.49 0.93 -1.07 0.00 0.00 179.97 179.30 1nr3 h GLU 14 N -0.73 0.48 0.35 0.04 5.08 -0.78 -1.22 114.58 117.80 1nr3 h GLU 14 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nr3 h GLU 14 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nr3 h GLU 14 CO -0.17 0.32 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.92 1nr3 h LEU 15 N 0.49 -0.40 -1.42 1.33 3.38 -0.12 0.58 115.31 119.17 1nr3 h LEU 15 Ca 0.35 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.46 1nr3 h LEU 15 Cb 0.69 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1nr3 h LEU 15 CO -0.12 -0.21 0.58 0.11 0.09 0.00 0.00 178.44 178.90 1nr3 h LYS 16 N -0.57 0.50 0.00 1.13 1.57 0.25 0.59 116.57 120.04 1nr3 h LYS 16 Ca -0.05 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1nr3 h LYS 16 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1nr3 h LYS 16 CO 0.08 0.33 -0.65 1.15 -0.57 0.00 0.00 179.45 179.79 1nr3 h THR 17 N 0.51 1.20 -3.56 -0.16 2.02 -0.67 -3.46 112.91 108.79 1nr3 h THR 17 Ca 0.46 -2.45 -0.46 0.00 0.77 0.00 0.00 66.41 64.74 1nr3 h THR 17 Cb 1.00 2.43 0.11 0.00 -1.74 0.00 0.00 68.15 69.96 1nr3 h THR 17 CO -0.20 0.63 0.29 0.28 0.37 0.00 0.00 175.52 176.90 1nr3 s THR 18 N -3.08 2.11 0.00 3.16 -1.32 0.21 -4.91 115.64 111.81 1nr3 s THR 18 Ca 0.02 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1nr3 s THR 18 Cb 0.10 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.19 1nr3 s THR 18 CO 0.76 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 171.06 1nr3 n ARG 19 N -3.27 0.00 -3.12 7.08 1.85 -1.26 -4.90 116.66 113.04 1nr3 n ARG 19 Ca 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.83 1nr3 n ARG 19 Cb 0.60 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.99 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1nr3 n GLN 20 N 0.00 -2.41 -1.64 2.89 -0.06 -1.26 0.21 117.38 115.12 1nr3 n GLN 20 Ca 0.00 0.13 -0.09 0.00 -2.00 0.00 0.00 57.00 55.05 1nr3 n GLN 20 Cb 0.00 -4.68 -0.03 0.00 -4.06 0.00 0.00 30.24 21.47 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 -1.86 -2.53 -3.60 1.69 3.02 -1.26 -4.78 115.26 105.95 1nr3 n ASN 21 Ca 0.02 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 1nr3 n ASN 21 Cb 0.50 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 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 -2.07 5.43 0.00 2.41 0.31 0.57 -4.66 118.33 120.33 1nr3 n VAL 22 Ca -0.09 -4.93 0.00 0.00 -0.01 0.00 0.00 64.34 59.31 1nr3 n VAL 22 Cb 0.38 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1nr3 n VAL 22 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nr3 n SER 23 N 1.37 0.00 -3.86 4.52 2.88 -1.26 -4.65 113.62 112.61 1nr3 n SER 23 Ca 0.53 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.82 1nr3 n SER 23 Cb 0.27 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nr3 n ALA 24 N 0.00 -1.83 0.10 -1.46 0.00 -1.26 -4.59 120.51 111.48 1nr3 n ALA 24 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 53.44 53.30 1nr3 n ALA 24 Cb 0.00 -0.84 0.63 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.04 0.18 0.28 0.00 2.04 -1.94 0.50 117.51 117.52 1nr3 h ILE 25 Ca -0.49 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1nr3 h ILE 25 Cb 1.02 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1nr3 h ILE 25 CO 0.49 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 178.17 1nr3 h GLU 26 N 0.00 -0.37 -0.35 2.37 3.07 -1.95 -0.69 114.58 116.66 1nr3 h GLU 26 Ca 0.20 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1nr3 h GLU 26 Cb 1.47 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 1nr3 h GLU 26 CO -0.00 -0.11 0.07 0.00 -1.40 0.00 0.00 179.01 177.57 1nr3 h ARG 27 N -1.03 0.51 0.53 2.33 2.47 -1.16 -1.02 114.38 117.01 1nr3 h ARG 27 Ca -0.04 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1nr3 h ARG 27 Cb 0.43 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1nr3 h ARG 27 CO 0.06 0.48 -0.25 0.87 0.56 0.00 0.00 179.97 181.69 1nr3 h LYS 28 N 0.50 -0.68 -1.02 0.04 1.79 -0.20 0.56 116.57 117.56 1nr3 h LYS 28 Ca 0.12 0.05 0.28 0.00 -2.18 0.00 0.00 60.65 58.91 1nr3 h LYS 28 Cb 0.21 0.16 -0.13 0.00 -1.58 0.00 0.00 32.23 30.89 1nr3 h LYS 28 CO -0.00 -0.45 0.60 0.00 -1.08 0.00 0.00 179.45 178.52 1nr3 h ALA 29 N -1.48 1.92 0.00 3.86 0.00 -1.03 1.72 119.26 124.25 1nr3 h ALA 29 Ca -0.07 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1nr3 h ALA 29 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1nr3 h ALA 29 CO 0.12 -0.43 -0.26 1.98 0.00 0.00 0.00 179.25 180.66 1nr3 h MET 30 N 0.47 0.00 -1.98 0.00 4.05 -1.05 -3.20 114.93 113.23 1nr3 h MET 30 Ca 0.67 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.94 1nr3 h MET 30 Cb 1.44 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.18 1nr3 h MET 30 CO -0.50 0.26 -0.17 0.39 0.23 0.00 0.00 176.91 177.12 1nr3 n GLU 31 N -3.26 1.70 -3.37 0.39 -0.58 0.58 -4.66 120.64 111.44 1nr3 n GLU 31 Ca 0.02 -0.80 -0.22 0.00 -0.42 0.00 0.00 57.16 55.73 1nr3 n GLU 31 Cb 0.55 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.95 -2.99 -4.71 1.62 3.02 -1.24 -4.72 115.26 108.19 1nr3 n ASN 32 Ca 0.29 -0.36 -0.58 0.00 -0.03 0.00 0.00 54.58 53.90 1nr3 n ASN 32 Cb 0.74 -2.52 -0.07 0.00 -0.61 0.00 0.00 39.78 37.32 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 -3.70 0.28 0.00 2.41 3.06 -1.07 -4.34 119.36 115.99 1nr3 n ILE 33 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1nr3 n ILE 33 Cb 0.52 -1.17 0.00 0.00 0.54 0.00 0.00 39.64 39.54 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 5.25 0.00 -0.43 9.51 2.13 -1.26 -4.94 120.64 130.90 1nr3 n GLU 34 Ca 0.27 0.00 0.03 0.00 0.66 0.00 0.00 57.16 58.12 1nr3 n GLU 34 Cb 0.12 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.87 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1nr3 n LYS 35 N -0.63 0.37 -2.24 5.31 5.02 -1.26 -4.77 118.16 119.97 1nr3 n LYS 35 Ca 0.00 -1.51 -0.03 0.00 -2.02 0.00 0.00 58.31 54.74 1nr3 n LYS 35 Cb 0.00 -0.77 0.05 0.00 -0.02 0.00 0.00 35.03 34.29 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nr3 n SER 36 N -0.38 2.11 -2.58 4.39 2.88 -1.26 -5.07 113.62 113.70 1nr3 n SER 36 Ca 0.05 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1nr3 n SER 36 Cb 0.71 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nr3 n ARG 37 N -0.43 3.14 -0.66 -1.46 1.74 -1.26 -4.70 116.66 113.02 1nr3 n ARG 37 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1nr3 n ARG 37 Cb 0.90 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.34 1nr3 n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nr3 n ASN 38 N 0.00 -0.34 0.00 0.55 2.85 -1.26 -4.97 115.26 112.09 1nr3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1nr3 n ASN 38 Cb 0.00 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 40.96 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1nr3 n THR 39 N -2.11 0.00 -0.03 -0.44 -1.04 -1.26 -1.23 114.28 108.16 1nr3 n THR 39 Ca 0.00 0.04 0.23 0.00 -2.04 0.00 0.00 64.05 62.28 1nr3 n THR 39 Cb 0.00 -0.10 0.57 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.15 -4.42 -0.00 -1.93 0.56 115.31 109.66 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 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.59 1nr3 h ASP 41 N 0.00 -0.17 -1.01 0.17 3.58 -1.92 0.50 116.42 117.57 1nr3 h ASP 41 Ca 0.32 -0.36 0.26 0.00 0.42 0.00 0.00 57.03 57.67 1nr3 h ASP 41 Cb 1.98 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 42.94 1nr3 h ASP 41 CO -0.00 0.41 0.59 0.15 -2.88 0.00 0.00 179.24 177.51 1nr3 h PHE 42 N -0.89 0.99 0.08 0.28 3.57 0.15 0.56 116.94 121.67 1nr3 h PHE 42 Ca -0.02 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 1nr3 h PHE 42 Cb 0.52 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1nr3 h PHE 42 CO 0.09 0.01 -1.11 -0.24 -2.23 0.00 0.00 178.31 174.84 1nr3 h VAL 43 N 0.52 1.47 -0.85 1.41 3.04 -1.39 -3.17 116.25 117.28 1nr3 h VAL 43 Ca 0.66 -2.82 0.19 0.00 -1.01 0.00 0.00 66.70 63.73 1nr3 h VAL 43 Cb 1.33 2.73 -0.06 0.00 -2.01 0.00 0.00 31.29 33.28 1nr3 h VAL 43 CO -0.50 0.83 0.57 0.50 -1.01 0.00 0.00 177.57 177.96 1nr3 h LYS 44 N 0.13 0.36 -0.68 4.17 3.64 0.24 0.55 116.57 124.99 1nr3 h LYS 44 Ca -0.11 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1nr3 h LYS 44 Cb 1.80 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 33.42 1nr3 h LYS 44 CO 0.18 0.24 0.07 1.03 -2.27 0.00 0.00 179.45 178.70 1nr3 h SER 45 N 0.37 -0.18 -0.98 4.20 0.87 -1.21 -0.88 113.55 115.74 1nr3 h SER 45 Ca 0.43 0.16 0.11 0.00 -1.23 0.00 0.00 61.79 61.26 1nr3 h SER 45 Cb 1.11 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 63.19 1nr3 h SER 45 CO -0.15 -0.10 -0.52 0.18 -0.53 0.00 0.00 176.83 175.72 1nr3 n LEU 46 N -5.24 -0.92 -3.26 2.23 4.77 0.19 -4.83 117.00 109.93 1nr3 n LEU 46 Ca 0.12 1.74 -0.15 0.00 -0.03 0.00 0.00 56.01 57.68 1nr3 n LEU 46 Cb 0.41 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1nr3 n LEU 46 CO 0.10 -1.46 0.06 0.29 -1.33 0.00 0.00 177.39 175.05 1nr3 n LYS 47 N -5.30 -3.96 -3.35 3.23 5.02 -0.34 -4.99 118.16 108.47 1nr3 n LYS 47 Ca 0.05 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.83 1nr3 n LYS 47 Cb 0.30 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.52 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 -3.77 6.78 0.46 4.39 1.04 -1.26 -4.61 113.70 116.72 1nr3 s SER 48 Ca 0.26 1.06 -0.22 0.00 0.48 0.00 0.00 55.95 57.53 1nr3 s SER 48 Cb -0.03 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 1nr3 s SER 48 CO 0.71 0.04 1.04 -2.16 0.98 0.00 0.00 173.24 173.85 1nr3 s PRO 49 N -2.24 3.92 0.12 4.02 0.04 -0.92 -4.26 135.00 135.67 1nr3 s PRO 49 Ca 0.41 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 1nr3 s PRO 49 Cb -0.14 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1nr3 s PRO 49 CO 0.20 -0.33 0.25 0.08 0.04 0.00 0.00 177.00 177.23 1nr3 s VAL 50 N -1.87 0.11 -0.21 -0.36 1.01 0.56 -4.96 120.40 114.68 1nr3 s VAL 50 Ca 0.64 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1nr3 s VAL 50 Cb -0.18 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.81 1nr3 s VAL 50 CO 0.23 -0.50 0.66 -0.60 0.00 0.00 0.00 175.10 174.88 1nr3 s ARG 51 N -3.88 0.81 -0.12 2.72 3.52 -1.26 -0.66 118.95 120.08 1nr3 s ARG 51 Ca 0.08 0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 56.18 1nr3 s ARG 51 Cb 0.04 0.39 0.09 0.00 -1.56 0.00 0.00 34.95 33.91 1nr3 s ARG 51 CO -0.08 -0.13 0.80 0.96 -0.81 0.00 0.00 175.30 176.04 1nr3 s ILE 52 N 0.09 0.00 0.04 4.11 -4.36 -0.30 -4.66 121.20 116.12 1nr3 s ILE 52 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.35 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 0.02 0.00 0.21 -0.22 0.24 0.00 0.00 174.94 175.20 1nr3 s LEU 53 N -0.90 4.36 -0.18 0.37 0.20 -1.26 -1.28 118.68 119.99 1nr3 s LEU 53 Ca -0.06 0.34 -0.04 0.00 0.69 0.00 0.00 54.13 55.05 1nr3 s LEU 53 Cb -0.01 -2.83 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 1nr3 s LEU 53 CO 0.06 0.20 -0.02 0.00 -0.29 0.00 0.00 176.35 176.30 1nr3 n ARG 55 N 3.89 1.37 -1.64 0.00 5.12 -1.26 -1.71 116.66 122.43 1nr3 n ARG 55 Ca -0.17 -1.35 -0.49 0.00 -1.93 0.00 0.00 57.85 53.91 1nr3 n ARG 55 Cb 0.52 0.26 -0.05 0.00 -1.16 0.00 0.00 32.46 32.04 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 -0.71 1.72 -0.29 5.56 1.74 -1.26 -4.73 116.66 118.68 1nr3 n ARG 56 Ca -0.05 0.62 0.24 0.00 -0.77 0.00 0.00 57.85 57.90 1nr3 n ARG 56 Cb 0.24 -2.35 0.56 0.00 -1.02 0.00 0.00 32.46 29.90 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 5.84 0.85 1.75 -0.13 0.00 -1.86 1.26 103.07 110.77 1nr3 h GLY 57 Ca -0.46 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1nr3 h GLY 57 CO 0.86 -0.08 0.13 -1.80 0.00 0.00 0.00 176.54 175.65 1nr3 h ASP 58 N 0.30 0.00 -0.17 0.19 1.82 -1.93 0.54 116.42 117.17 1nr3 h ASP 58 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1nr3 h ASP 58 Cb 1.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1nr3 h ASP 58 CO -0.20 0.00 0.00 1.07 -1.61 0.00 0.00 179.24 178.50 1nr3 n THR 59 N -3.04 0.82 -0.33 2.25 5.66 0.43 -4.63 114.28 115.44 1nr3 n THR 59 Ca -0.03 -0.91 0.09 0.00 -3.05 0.00 0.00 64.05 60.15 1nr3 n THR 59 Cb 0.19 0.61 0.26 0.00 -1.55 0.00 0.00 70.33 69.84 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 1.23 0.71 -0.31 1.09 5.85 0.87 2.29 115.31 127.04 1nr3 h LEU 60 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1nr3 h LEU 60 Cb 0.58 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1nr3 h LEU 60 CO 0.00 0.30 0.13 -2.24 -0.34 0.00 0.00 178.44 176.29 1nr3 h ASP 61 N 0.76 0.18 -0.11 1.25 -0.00 -1.82 0.11 116.42 116.78 1nr3 h ASP 61 Ca 0.51 0.02 -0.20 0.00 -0.00 0.00 0.00 57.03 57.37 1nr3 h ASP 61 Cb 0.70 -0.01 0.01 0.00 -0.00 0.00 0.00 39.33 40.04 1nr3 h ASP 61 CO -0.35 0.14 -0.69 -0.08 -0.00 0.00 0.00 179.24 178.26 1nr3 h GLU 62 N 0.28 0.67 -0.22 4.15 4.81 -1.16 -2.97 114.58 120.14 1nr3 h GLU 62 Ca 0.13 -0.57 0.06 0.00 -0.13 0.00 0.00 59.36 58.86 1nr3 h GLU 62 Cb 0.07 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1nr3 h GLU 62 CO -0.11 1.18 0.22 0.97 -0.73 0.00 0.00 179.01 180.54 1nr3 h ILE 63 N 0.34 0.53 -0.07 2.32 -0.00 0.41 0.14 117.51 121.18 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 1.34 0.83 -0.00 0.00 -0.00 0.00 0.00 36.82 38.98 1nr3 h ILE 63 CO 0.14 0.00 0.01 0.40 -0.00 0.00 0.00 178.15 178.71 1nr3 h ILE 64 N 0.00 1.21 -0.35 2.19 2.04 -0.61 0.88 117.51 122.86 1nr3 h ILE 64 Ca 0.10 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1nr3 h ILE 64 Cb 0.55 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1nr3 h ILE 64 CO -0.00 0.18 0.10 0.07 0.00 0.00 0.00 178.15 178.50 1nr3 h LYS 65 N -0.11 0.51 -0.01 2.37 2.10 -1.05 0.47 116.57 120.85 1nr3 h LYS 65 Ca 0.02 -0.07 -0.22 0.00 -2.00 0.00 0.00 60.65 58.38 1nr3 h LYS 65 Cb 0.27 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1nr3 h LYS 65 CO 0.00 0.46 -0.90 0.00 -2.00 0.00 0.00 179.45 177.01 1nr3 h ARG 66 N 0.50 0.39 -0.22 0.07 2.47 -0.90 -3.21 114.38 113.49 1nr3 h ARG 66 Ca 0.12 -0.40 -0.14 0.00 -1.26 0.00 0.00 59.98 58.30 1nr3 h ARG 66 Cb 0.17 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1nr3 h ARG 66 CO -0.01 1.07 -0.41 -0.07 0.56 0.00 0.00 179.97 181.12 1nr3 h LEU 67 N 0.23 0.74 -0.86 3.04 3.38 0.16 -3.08 115.31 118.92 1nr3 h LEU 67 Ca -0.07 -0.54 0.22 0.00 0.09 0.00 0.00 57.88 57.58 1nr3 h LEU 67 Cb 1.52 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 1nr3 h LEU 67 CO 0.15 1.14 0.25 0.17 0.09 0.00 0.00 178.44 180.24 1nr3 h LEU 68 N 0.36 0.05 -2.05 1.67 8.10 -0.11 2.00 115.31 125.34 1nr3 h LEU 68 Ca 0.01 0.18 0.10 0.00 0.11 0.00 0.00 57.88 58.29 1nr3 h LEU 68 Cb 1.01 0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.45 1nr3 h LEU 68 CO 0.09 -0.12 0.37 -0.33 -4.11 0.00 0.00 178.44 174.34 1nr3 h GLU 69 N 0.25 0.00 0.06 0.17 4.39 -1.54 2.48 114.58 120.39 1nr3 h GLU 69 Ca 0.53 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.86 1nr3 h GLU 69 Cb 1.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 1nr3 h GLU 69 CO -0.61 0.00 -2.15 0.39 -1.16 0.00 0.00 179.01 175.47 1nr3 n GLU 70 N -3.83 0.69 -0.02 2.33 -0.58 0.62 -4.00 120.64 115.85 1nr3 n GLU 70 Ca 0.06 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1nr3 n GLU 70 Cb 0.53 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.14 0.00 -1.75 1.62 0.02 0.13 -3.11 113.55 110.33 1nr3 h SER 71 Ca -0.50 0.00 0.51 0.00 -0.84 0.00 0.00 61.79 60.96 1nr3 h SER 71 Cb 1.88 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.35 1nr3 h SER 71 CO -0.05 0.22 1.36 -1.13 -1.14 0.00 0.00 176.83 176.10 1nr3 h ASN 72 N -0.37 0.00 0.14 3.07 -1.24 0.40 2.22 115.58 119.80 1nr3 h ASN 72 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1nr3 h ASN 72 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1nr3 h ASN 72 CO 0.00 0.00 -0.06 0.11 -1.29 0.00 0.00 177.43 176.19 1nr3 h LYS 73 N 0.00 -0.17 -0.08 6.67 1.79 -1.57 -3.27 116.57 119.94 1nr3 h LYS 73 Ca 0.83 0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 59.13 1nr3 h LYS 73 Cb 3.55 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 34.23 1nr3 h LYS 73 CO -0.01 0.26 -0.71 0.93 -1.08 0.00 0.00 179.45 178.84 1nr3 h GLU 74 N -0.71 0.37 0.00 3.15 4.39 0.25 -3.46 114.58 118.58 1nr3 h GLU 74 Ca -0.02 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1nr3 h GLU 74 Cb 0.52 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1nr3 h GLU 74 CO 0.03 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.23 1nr3 n GLY 75 N 0.52 2.39 3.94 -3.84 0.00 0.62 -5.09 105.19 103.73 1nr3 n GLY 75 Ca -0.04 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 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 0.89 4.46 -0.76 -0.61 -1.09 -1.26 -4.60 121.20 118.24 1nr3 s ILE 76 Ca 0.00 -0.31 -0.28 0.00 -2.23 0.00 0.00 60.65 57.83 1nr3 s ILE 76 Cb 0.00 -3.66 -0.15 0.00 -1.58 0.00 0.00 42.46 37.07 1nr3 s ILE 76 CO 0.00 -0.51 2.56 1.57 -1.23 0.00 0.00 174.94 177.33 1nr3 n HIS 77 N -2.08 0.97 -4.37 3.97 -0.00 -1.26 -4.66 115.22 107.80 1nr3 n HIS 77 Ca -0.00 0.25 -0.20 0.00 0.46 0.00 0.00 57.72 58.23 1nr3 n HIS 77 Cb 0.57 -2.49 -0.14 0.00 -0.12 0.00 0.00 29.99 27.81 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 10.53 1.02 -0.60 3.57 1.01 -1.26 -4.86 120.40 129.82 1nr3 s VAL 78 Ca 1.17 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1nr3 s VAL 78 Cb -0.73 -0.92 0.39 0.00 0.00 0.00 0.00 36.38 35.12 1nr3 s VAL 78 CO 0.38 0.04 1.46 2.30 0.00 0.00 0.00 175.10 179.27 1nr3 n ILE 79 N 2.08 2.88 -3.12 2.22 -5.35 -1.26 -4.85 119.36 111.97 1nr3 n ILE 79 Ca -0.17 -4.72 -0.39 0.00 -0.27 0.00 0.00 62.75 57.19 1nr3 n ILE 79 Cb 0.55 -1.26 -0.06 0.00 -1.74 0.00 0.00 39.64 37.13 1nr3 n ILE 79 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1nr3 s HIS 80 N -3.75 3.82 0.51 4.28 -3.43 -1.26 -4.49 115.29 110.97 1nr3 s HIS 80 Ca 0.49 1.43 -0.04 0.00 -0.80 0.00 0.00 55.06 56.14 1nr3 s HIS 80 Cb 0.41 -2.66 -0.01 0.00 -1.43 0.00 0.00 32.58 28.89 1nr3 s HIS 80 CO -0.27 0.49 0.79 -0.51 -2.00 0.00 0.00 174.74 173.23 1nr3 s ASP 81 N -0.86 5.93 0.56 7.38 1.01 -1.26 -4.78 116.67 124.65 1nr3 s ASP 81 Ca 0.33 0.68 0.27 0.00 0.71 0.00 0.00 52.55 54.55 1nr3 s ASP 81 Cb -0.21 -1.89 1.48 0.00 1.01 0.00 0.00 42.92 43.32 1nr3 s ASP 81 CO 0.22 -0.76 1.99 -1.28 0.21 0.00 0.00 175.17 175.54 1nr3 h SER 82 N 0.15 0.00 0.33 0.27 0.87 -1.96 1.15 113.55 114.37 1nr3 h SER 82 Ca -0.46 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 59.87 1nr3 h SER 82 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1nr3 h SER 82 CO 0.60 0.00 -0.92 0.40 -0.53 0.00 0.00 176.83 176.38 1nr3 h ILE 83 N 0.00 1.40 0.10 2.23 2.04 -1.96 -3.02 117.51 118.31 1nr3 h ILE 83 Ca 0.21 -2.43 -0.26 0.00 1.00 0.00 0.00 64.86 63.38 1nr3 h ILE 83 Cb 0.96 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1nr3 h ILE 83 CO -0.00 0.73 -1.20 0.74 0.00 0.00 0.00 178.15 178.42 1nr3 h THR 84 N 0.23 1.54 -0.73 -0.27 2.02 -0.42 -3.20 112.91 112.09 1nr3 h THR 84 Ca -0.07 -3.14 0.07 0.00 0.77 0.00 0.00 66.41 64.04 1nr3 h THR 84 Cb 1.56 2.93 -0.06 0.00 -1.74 0.00 0.00 68.15 70.83 1nr3 h THR 84 CO 0.16 0.91 0.41 -0.07 0.37 0.00 0.00 175.52 177.30 1nr3 h LEU 85 N 0.06 0.61 -0.76 2.58 4.07 0.10 1.57 115.31 123.54 1nr3 h LEU 85 Ca -0.11 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1nr3 h LEU 85 Cb 1.93 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 43.55 1nr3 h LEU 85 CO 0.19 0.38 0.41 0.00 -1.08 0.00 0.00 178.44 178.33 1nr3 h ALA 86 N 1.39 0.98 0.12 1.53 0.00 -1.58 0.82 119.26 122.51 1nr3 h ALA 86 Ca 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nr3 h ALA 86 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nr3 h ALA 86 CO -0.20 0.50 -0.06 0.35 0.00 0.00 0.00 179.25 179.84 1nr3 h PHE 87 N 1.06 -0.15 -0.69 0.00 3.57 -1.09 0.50 116.94 120.13 1nr3 h PHE 87 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1nr3 h PHE 87 Cb 0.05 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1nr3 h PHE 87 CO 0.00 0.33 0.46 -0.07 -2.23 0.00 0.00 178.31 176.80 1nr3 h LEU 88 N -0.74 0.74 -0.06 0.59 4.07 0.23 -2.04 115.31 118.09 1nr3 h LEU 88 Ca -0.02 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1nr3 h LEU 88 Cb 0.54 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1nr3 h LEU 88 CO 0.03 0.51 -0.29 0.40 -1.08 0.00 0.00 178.44 178.01 1nr3 h ILE 89 N 0.86 1.44 -0.99 1.22 2.04 0.68 -3.17 117.51 119.59 1nr3 h ILE 89 Ca 0.27 -1.72 0.36 0.00 1.00 0.00 0.00 64.86 64.77 1nr3 h ILE 89 Cb 0.02 2.37 -0.17 0.00 -0.74 0.00 0.00 36.82 38.31 1nr3 h ILE 89 CO -0.07 0.49 0.45 0.03 0.00 0.00 0.00 178.15 179.05 1nr3 h ARG 90 N -0.22 0.10 -0.66 2.37 3.08 0.73 2.30 114.38 122.07 1nr3 h ARG 90 Ca -0.02 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1nr3 h ARG 90 Cb 0.94 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1nr3 h ARG 90 CO 0.06 0.06 0.17 0.93 -1.07 0.00 0.00 179.97 180.13 1nr3 h GLU 91 N 0.10 1.05 -0.04 0.04 4.39 -1.46 1.64 114.58 120.30 1nr3 h GLU 91 Ca 0.76 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1nr3 h GLU 91 Cb 1.87 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1nr3 h GLU 91 CO -0.74 0.93 0.00 1.63 -1.16 0.00 0.00 179.01 179.67 1nr3 n LYS 92 N -4.30 1.63 -2.68 2.33 4.01 0.56 -4.54 118.16 115.17 1nr3 n LYS 92 Ca 0.04 -0.91 -0.03 0.00 -0.51 0.00 0.00 58.31 56.90 1nr3 n LYS 92 Cb 0.24 -1.46 0.03 0.00 -0.51 0.00 0.00 35.03 33.33 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 -1.96 -4.44 -2.00 7.82 0.00 0.64 -4.73 121.76 117.09 1nr3 s ALA 93 Ca 0.38 0.65 0.28 0.00 0.00 0.00 0.00 51.96 53.27 1nr3 s ALA 93 Cb 0.20 -2.98 1.66 0.00 0.00 0.00 0.00 23.12 22.00 1nr3 s ALA 93 CO 0.32 -2.52 2.02 -1.13 0.00 0.00 0.00 175.76 174.46 1nr3 n SER 94 N 2.72 0.00 0.00 0.00 3.41 0.55 -3.76 113.62 116.54 1nr3 n SER 94 Ca 0.11 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1nr3 n SER 94 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.98 0.00 -3.47 7.33 8.25 -1.26 -4.89 115.22 120.20 1nr3 n HIS 95 Ca 0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.24 1nr3 n HIS 95 Cb 0.10 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 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 2.95 0.43 -0.41 0.52 -1.26 -5.06 118.95 116.13 1nr3 s ARG 96 Ca 0.00 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.24 1nr3 s ARG 96 Cb 0.00 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 1nr3 s ARG 96 CO 0.00 -0.75 0.09 0.42 0.02 0.00 0.00 175.30 175.07 1nr3 s ILE 97 N 1.67 1.95 -0.24 1.52 1.09 -1.26 -4.85 121.20 121.08 1nr3 s ILE 97 Ca 0.05 -1.87 -0.15 0.00 -1.10 0.00 0.00 60.65 57.58 1nr3 s ILE 97 Cb -0.19 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.35 1nr3 s ILE 97 CO 0.10 0.00 0.36 0.54 -0.10 0.00 0.00 174.94 175.83 1nr3 s VAL 98 N -2.70 5.21 0.81 2.92 0.11 -1.26 -5.07 120.40 120.41 1nr3 s VAL 98 Ca 0.32 0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 59.87 1nr3 s VAL 98 Cb 0.06 -3.69 0.13 0.00 -1.53 0.00 0.00 36.38 31.36 1nr3 s VAL 98 CO 0.17 0.22 1.13 -1.38 -3.33 0.00 0.00 175.10 171.92 1nr3 s HIS 99 N 1.65 2.04 -0.28 1.54 -3.43 -1.26 -4.51 115.29 111.03 1nr3 s HIS 99 Ca 0.16 0.20 -0.03 0.00 -0.80 0.00 0.00 55.06 54.59 1nr3 s HIS 99 Cb -0.15 -3.51 0.11 0.00 -1.43 0.00 0.00 32.58 27.60 1nr3 s HIS 99 CO 0.08 -1.99 0.18 -0.98 -2.00 0.00 0.00 174.74 170.03 1nr3 s ARG 100 N -5.48 0.22 0.08 -0.38 3.03 -1.26 -4.97 118.95 110.18 1nr3 s ARG 100 Ca 0.67 -0.40 0.03 0.00 2.03 0.00 0.00 55.73 58.07 1nr3 s ARG 100 Cb -0.07 -1.04 -0.04 0.00 -1.03 0.00 0.00 34.95 32.77 1nr3 s ARG 100 CO 0.48 -1.01 0.05 0.54 -1.13 0.00 0.00 175.30 174.23 1nr3 s VAL 101 N 2.18 4.34 -0.55 4.99 0.11 -1.26 -4.99 120.40 125.22 1nr3 s VAL 101 Ca 0.09 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1nr3 s VAL 101 Cb -0.15 -3.07 0.15 0.00 -1.53 0.00 0.00 36.38 31.77 1nr3 s VAL 101 CO -0.35 0.15 0.33 0.54 -3.33 0.00 0.00 175.10 172.44 1nr3 s VAL 102 N -1.34 2.22 0.00 2.04 0.11 -1.26 -3.60 120.40 118.57 1nr3 s VAL 102 Ca 0.27 -3.37 0.00 0.00 -2.93 0.00 0.00 61.98 55.95 1nr3 s VAL 102 Cb -0.12 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1nr3 s VAL 102 CO 0.20 -0.92 0.00 1.17 -3.33 0.00 0.00 175.10 172.22 1nr3 n LYS 103 N 2.86 0.00 -4.40 1.54 3.00 -1.26 -4.78 118.16 115.12 1nr3 n LYS 103 Ca 0.12 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.22 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 -1.12 0.00 0.00 0.00 177.40 176.28 1nr3 s SER 104 N -0.78 2.05 -0.14 3.14 0.01 -1.26 -5.03 113.70 111.68 1nr3 s SER 104 Ca 0.00 -1.63 -0.06 0.00 1.31 0.00 0.00 55.95 55.57 1nr3 s SER 104 Cb 0.00 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1nr3 s SER 104 CO 0.00 -0.93 0.06 -0.62 0.41 0.00 0.00 173.24 172.16 1nr3 s ASP 105 N -3.46 5.67 -0.13 2.44 2.15 -1.26 -4.36 116.67 117.71 1nr3 s ASP 105 Ca 0.32 0.18 -0.10 0.00 0.43 0.00 0.00 52.55 53.38 1nr3 s ASP 105 Cb 0.04 -1.85 0.04 0.00 -0.30 0.00 0.00 42.92 40.85 1nr3 s ASP 105 CO 0.18 0.28 0.34 0.12 -0.17 0.00 0.00 175.17 175.92 1nr3 s PHE 106 N -0.28 -0.42 0.01 -5.34 2.19 -0.69 -4.46 117.98 108.98 1nr3 s PHE 106 Ca 0.08 0.97 -0.00 0.00 0.33 0.00 0.00 56.93 58.31 1nr3 s PHE 106 Cb -0.12 0.15 -0.04 0.00 -1.31 0.00 0.00 43.02 41.70 1nr3 s PHE 106 CO 0.02 -0.23 0.12 -1.21 1.83 0.00 0.00 175.22 175.75 1nr3 s GLU 107 N 0.63 3.16 0.01 10.12 2.02 0.27 0.80 118.70 135.71 1nr3 s GLU 107 Ca -0.04 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1nr3 s GLU 107 Cb -0.05 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1nr3 s GLU 107 CO -0.04 0.64 -0.03 0.42 0.02 0.00 0.00 175.26 176.27 1nr3 s ILE 108 N -1.28 0.17 0.16 -1.63 1.09 -0.41 -1.86 121.20 117.44 1nr3 s ILE 108 Ca 0.26 -0.34 -0.14 0.00 -1.10 0.00 0.00 60.65 59.32 1nr3 s ILE 108 Cb -0.12 -0.20 0.02 0.00 -1.06 0.00 0.00 42.46 41.10 1nr3 s ILE 108 CO 0.17 -0.11 0.40 -0.83 -0.10 0.00 0.00 174.94 174.47 1nr3 s GLY 109 N -0.48 0.02 0.15 6.18 0.00 0.66 -1.14 107.32 112.70 1nr3 s GLY 109 Ca -0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.15 1nr3 s GLY 109 CO -0.00 -0.47 0.41 0.54 0.00 0.00 0.00 173.10 173.58 1nr3 s VAL 110 N -3.88 0.06 -0.05 1.40 0.11 0.17 0.44 120.40 118.65 1nr3 s VAL 110 Ca 0.09 -0.77 0.07 0.00 -2.93 0.00 0.00 61.98 58.44 1nr3 s VAL 110 Cb 0.01 -1.38 -0.10 0.00 -1.53 0.00 0.00 36.38 33.38 1nr3 s VAL 110 CO -0.05 -0.27 0.09 0.35 -3.33 0.00 0.00 175.10 171.88 1nr3 n THR 111 N -0.25 0.29 0.04 5.04 -2.24 -1.22 -0.32 114.28 115.62 1nr3 n THR 111 Ca -0.13 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1nr3 n THR 111 Cb 0.63 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.06 0.00 0.00 -0.78 1.74 -1.26 -2.17 116.66 112.12 1nr3 n ARG 112 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1nr3 n ARG 112 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1nr3 n ARG 112 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1nr3 n ASP 113 N -2.71 0.00 0.00 0.55 5.68 -1.26 -4.71 116.55 114.10 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nr3 n GLY 114 N 0.00 -0.16 3.74 6.12 0.00 -1.26 -4.04 105.19 109.58 1nr3 n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1nr3 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nr3 s GLU 115 N -0.88 4.72 0.31 1.61 1.03 -1.26 -4.56 118.70 119.66 1nr3 s GLU 115 Ca 0.00 1.54 0.03 0.00 0.03 0.00 0.00 54.97 56.56 1nr3 s GLU 115 Cb 0.00 -3.32 -0.05 0.00 -0.80 0.00 0.00 34.13 29.96 1nr3 s GLU 115 CO 0.00 0.27 0.09 0.96 -1.33 0.00 0.00 175.26 175.25 1nr3 s ILE 116 N -0.44 0.80 0.04 1.83 -0.00 -1.26 -3.39 121.20 118.78 1nr3 s ILE 116 Ca 0.46 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 59.14 1nr3 s ILE 116 Cb -0.26 -2.65 -0.02 0.00 -0.00 0.00 0.00 42.46 39.53 1nr3 s ILE 116 CO 0.32 0.00 -0.10 0.27 -0.00 0.00 0.00 174.94 175.43 1nr3 s ILE 117 N -3.48 0.78 0.06 8.37 -4.36 0.17 -4.93 121.20 117.81 1nr3 s ILE 117 Ca 0.35 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 1nr3 s ILE 117 Cb 0.07 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 43.00 1nr3 s ILE 117 CO 0.15 -0.14 -0.07 0.68 0.24 0.00 0.00 174.94 175.80 1nr3 s VAL 118 N -0.96 0.56 -0.30 8.37 -7.23 -1.26 -0.25 120.40 119.34 1nr3 s VAL 118 Ca -0.03 -1.38 -0.17 0.00 -1.81 0.00 0.00 61.98 58.60 1nr3 s VAL 118 Cb -0.08 -0.98 0.18 0.00 0.56 0.00 0.00 36.38 36.06 1nr3 s VAL 118 CO 0.01 -0.57 1.12 -0.62 -0.31 0.00 0.00 175.10 174.73 1nr3 s ASP 119 N -2.10 -0.33 -0.20 4.85 -1.08 -0.78 -4.93 116.67 112.10 1nr3 s ASP 119 Ca -0.03 0.47 -0.06 0.00 -0.52 0.00 0.00 52.55 52.42 1nr3 s ASP 119 Cb -0.04 1.32 -0.18 0.00 -1.46 0.00 0.00 42.92 42.56 1nr3 s ASP 119 CO -0.02 -0.07 3.39 0.18 0.52 0.00 0.00 175.17 179.18 1nr3 n LEU 120 N 4.43 5.72 -1.60 -1.34 4.32 -1.26 0.97 117.00 128.24 1nr3 n LEU 120 Ca -0.10 -3.46 0.00 0.00 -0.02 0.00 0.00 56.01 52.43 1nr3 n LEU 120 Cb 0.55 -1.38 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1nr3 n LEU 120 CO -0.02 1.73 -0.42 -0.46 -1.22 0.00 0.00 177.39 176.99 1nr3 n ASN 121 N 2.18 -7.74 -0.16 -1.43 0.23 -1.26 -4.86 115.26 102.21 1nr3 n ASN 121 Ca 0.46 1.32 0.15 0.00 -0.53 0.00 0.00 54.58 55.99 1nr3 n ASN 121 Cb 0.80 -4.75 0.81 0.00 -2.08 0.00 0.00 39.78 34.55 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09