#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n34 s LEU 2 N 0.00 4.06 0.00 -0.89 0.20 -1.26 -5.04 118.68 115.76 1n34 s LEU 2 Ca 0.00 1.54 0.00 0.00 0.69 0.00 0.00 54.13 56.36 1n34 s LEU 2 Cb 0.00 -4.24 0.00 0.00 -0.43 0.00 0.00 46.19 41.52 1n34 s LEU 2 CO 0.00 -0.24 0.00 1.07 -0.29 0.00 0.00 176.35 176.89 1n34 n THR 3 N -0.29 0.00 -3.11 3.68 5.66 -1.26 -4.90 114.28 114.06 1n34 n THR 3 Ca 0.04 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.60 1n34 n THR 3 Cb 0.53 -0.79 -0.05 0.00 -1.55 0.00 0.00 70.33 68.47 1n34 n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1n34 s ASP 4 N -0.61 6.19 0.10 1.09 2.15 -1.26 -4.91 116.67 119.42 1n34 s ASP 4 Ca 0.00 -1.29 -0.23 0.00 0.43 0.00 0.00 52.55 51.46 1n34 s ASP 4 Cb 0.00 -2.30 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 1n34 s ASP 4 CO 0.00 -1.08 1.39 -0.65 -0.17 0.00 0.00 175.17 174.66 1n34 h PRO 5 N 9.16 -0.19 -0.89 4.34 0.11 -2.01 -2.08 132.00 140.45 1n34 h PRO 5 Ca -0.29 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.96 1n34 h PRO 5 Cb 1.09 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.11 1n34 h PRO 5 CO 1.07 -0.13 -0.39 -0.89 -0.21 0.00 0.00 178.00 177.45 1n34 n ILE 6 N -4.59 -0.50 0.00 4.15 2.08 -1.26 -1.02 119.36 118.21 1n34 n ILE 6 Ca -0.01 2.10 -0.02 0.00 0.56 0.00 0.00 62.75 65.38 1n34 n ILE 6 Cb 0.22 -2.73 -0.01 0.00 -0.75 0.00 0.00 39.64 36.37 1n34 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n34 h ALA 7 N 1.02 -0.51 -0.66 -1.39 0.00 -1.81 -1.25 119.26 114.67 1n34 h ALA 7 Ca 0.27 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1n34 h ALA 7 Cb 0.49 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1n34 h ALA 7 CO -0.87 -0.54 -0.33 -3.47 0.00 0.00 0.00 179.25 174.04 1n34 n ASP 8 N -2.98 -0.57 0.00 0.00 2.03 -0.19 0.23 116.55 115.06 1n34 n ASP 8 Ca -0.01 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.47 1n34 n ASP 8 Cb 0.06 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1n34 n ASP 8 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1n34 n MET 9 N -4.90 0.00 -0.09 -0.67 1.56 -0.62 0.12 117.12 112.52 1n34 n MET 9 Ca 0.04 0.45 -0.02 0.00 -0.27 0.00 0.00 57.70 57.89 1n34 n MET 9 Cb 0.22 -1.03 -0.02 0.00 2.15 0.00 0.00 33.22 34.53 1n34 n MET 9 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1n34 n LEU 10 N -1.03 -0.23 -0.07 -0.89 4.77 0.11 -0.99 117.00 118.67 1n34 n LEU 10 Ca 0.00 0.78 -0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1n34 n LEU 10 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1n34 n LEU 10 CO 0.00 -0.51 0.50 0.74 -1.33 0.00 0.00 177.39 176.79 1n34 h THR 11 N 0.00 0.00 -1.24 -5.08 2.02 0.33 1.21 112.91 110.16 1n34 h THR 11 Ca 0.03 0.00 0.43 0.00 0.77 0.00 0.00 66.41 67.64 1n34 h THR 11 Cb 0.09 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.37 1n34 h THR 11 CO -0.20 0.00 0.79 0.54 0.37 0.00 0.00 175.52 177.02 1n34 n ARG 12 N -3.89 -0.03 -0.04 6.66 1.74 0.32 0.33 116.66 121.74 1n34 n ARG 12 Ca -0.01 1.13 -0.15 0.00 -0.77 0.00 0.00 57.85 58.05 1n34 n ARG 12 Cb 0.15 -2.23 -0.13 0.00 -1.02 0.00 0.00 32.46 29.23 1n34 n ARG 12 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1n34 h ILE 13 N 0.00 1.69 -0.56 0.55 2.04 0.14 0.18 117.51 121.54 1n34 h ILE 13 Ca 0.79 -2.23 0.09 0.00 1.00 0.00 0.00 64.86 64.51 1n34 h ILE 13 Cb 2.55 3.18 -0.07 0.00 -0.74 0.00 0.00 36.82 41.74 1n34 h ILE 13 CO -0.42 0.59 0.18 -0.09 0.00 0.00 0.00 178.15 178.41 1n34 h ARG 14 N -0.79 0.34 0.31 2.37 2.43 1.40 -0.45 114.38 120.00 1n34 h ARG 14 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1n34 h ARG 14 Cb 1.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1n34 h ARG 14 CO 0.03 0.23 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.66 1n34 h ASN 15 N 0.35 -0.35 -0.67 -3.80 2.35 0.18 -2.97 115.58 110.67 1n34 h ASN 15 Ca 0.28 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1n34 h ASN 15 Cb 0.35 0.09 -0.11 0.00 0.05 0.00 0.00 38.32 38.70 1n34 h ASN 15 CO -0.30 0.01 -0.46 0.00 -1.65 0.00 0.00 177.43 175.02 1n34 h ALA 16 N -0.20 -0.34 -0.70 -0.83 0.00 -0.59 -1.76 119.26 114.84 1n34 h ALA 16 Ca -0.04 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1n34 h ALA 16 Cb 0.50 1.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 1n34 h ALA 16 CO 0.07 -0.84 -0.14 1.15 0.00 0.00 0.00 179.25 179.48 1n34 h THR 17 N -0.18 0.32 -0.40 0.00 2.02 -1.06 -2.39 112.91 111.21 1n34 h THR 17 Ca 0.19 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1n34 h THR 17 Cb 0.55 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1n34 h THR 17 CO -0.75 0.00 0.14 0.03 0.37 0.00 0.00 175.52 175.31 1n34 h ARG 18 N 0.02 0.29 -0.78 6.66 -0.00 -1.15 0.32 114.38 119.74 1n34 h ARG 18 Ca 0.34 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1n34 h ARG 18 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.44 1n34 h ARG 18 CO -0.70 0.19 0.00 1.33 0.00 0.00 0.00 179.97 180.79 1n34 n VAL 19 N -5.01 0.00 -4.34 2.04 0.24 -0.92 -4.82 118.33 105.52 1n34 n VAL 19 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.98 1n34 n VAL 19 Cb 0.15 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.04 1n34 n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1n34 n TYR 20 N 0.07 -1.31 0.00 6.34 4.01 0.11 -4.93 117.16 121.45 1n34 n TYR 20 Ca 0.00 0.66 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1n34 n TYR 20 Cb 0.20 -2.65 0.00 0.00 -0.31 0.00 0.00 39.34 36.57 1n34 n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1n34 n LYS 21 N -4.40 1.74 0.00 -0.72 4.76 -1.06 -5.02 118.16 113.45 1n34 n LYS 21 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1n34 n LYS 21 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1n34 n LYS 21 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1n34 n GLU 22 N 0.00 0.00 -3.65 1.97 0.00 -1.26 -4.99 120.64 112.72 1n34 n GLU 22 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1n34 n GLU 22 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 1n34 n GLU 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1n34 s SER 23 N 0.00 -0.19 -0.11 -1.84 1.04 -1.26 -1.95 113.70 109.39 1n34 s SER 23 Ca 0.00 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 1n34 s SER 23 Cb 0.00 0.79 0.03 0.00 0.10 0.00 0.00 66.02 66.94 1n34 s SER 23 CO 0.00 -0.05 0.29 0.28 0.98 0.00 0.00 173.24 174.73 1n34 s THR 24 N 0.73 0.00 0.36 2.02 -1.32 0.73 -4.92 115.64 113.25 1n34 s THR 24 Ca -0.03 -0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.26 1n34 s THR 24 Cb -0.04 -0.41 -0.10 0.00 -1.51 0.00 0.00 72.50 70.45 1n34 s THR 24 CO -0.12 -0.00 0.85 -1.81 -2.21 0.00 0.00 174.62 171.32 1n34 s ASP 25 N 0.13 6.91 -0.04 8.08 1.11 -1.26 -0.30 116.67 131.31 1n34 s ASP 25 Ca -0.00 1.51 -0.06 0.00 0.18 0.00 0.00 52.55 54.19 1n34 s ASP 25 Cb -0.02 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.51 1n34 s ASP 25 CO 0.00 -0.25 0.14 0.54 1.18 0.00 0.00 175.17 176.79 1n34 s VAL 26 N -2.01 0.02 0.05 -1.27 0.11 -0.81 -4.92 120.40 111.58 1n34 s VAL 26 Ca 0.57 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 59.10 1n34 s VAL 26 Cb -0.11 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 1n34 s VAL 26 CO 0.16 -0.11 1.50 -2.84 -3.33 0.00 0.00 175.10 170.48 1n34 s PRO 27 N -0.34 4.25 0.59 1.54 0.02 -1.26 -0.51 135.00 139.30 1n34 s PRO 27 Ca -0.04 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 1n34 s PRO 27 Cb -0.03 -3.51 -0.03 0.00 0.02 0.00 0.00 34.50 30.95 1n34 s PRO 27 CO 0.01 -0.62 1.33 0.00 -0.33 0.00 0.00 177.00 177.39 1n34 s ALA 28 N 2.21 2.61 -0.08 -1.55 0.00 -0.76 -4.85 121.76 119.34 1n34 s ALA 28 Ca 0.68 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.61 1n34 s ALA 28 Cb -0.36 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.29 1n34 s ALA 28 CO 0.29 -1.48 0.79 -1.54 0.00 0.00 0.00 175.76 173.82 1n34 s SER 29 N -1.17 -0.56 0.02 0.00 1.04 -1.26 -4.95 113.70 106.82 1n34 s SER 29 Ca 0.77 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.74 1n34 s SER 29 Cb -0.39 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 1n34 s SER 29 CO 0.44 -0.53 1.08 0.03 0.98 0.00 0.00 173.24 175.24 1n34 h ARG 30 N 2.82 -0.10 0.00 4.02 2.47 -2.00 -2.54 114.38 119.05 1n34 h ARG 30 Ca -0.24 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1n34 h ARG 30 Cb 1.15 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1n34 h ARG 30 CO 0.36 -0.07 0.00 0.34 0.56 0.00 0.00 179.97 181.17 1n34 n PHE 31 N -2.95 0.00 -0.18 3.04 -0.00 -1.26 -1.36 117.46 114.75 1n34 n PHE 31 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.50 1n34 n PHE 31 Cb 0.06 -0.11 0.13 0.00 -0.00 0.00 0.00 39.48 39.56 1n34 n PHE 31 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1n34 n LYS 32 N -1.43 -0.04 -0.04 -4.13 5.02 -1.22 0.20 118.16 116.52 1n34 n LYS 32 Ca 0.00 0.79 -0.08 0.00 -2.02 0.00 0.00 58.31 57.00 1n34 n LYS 32 Cb 0.00 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1n34 n LYS 32 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1n34 h GLU 33 N 0.00 -0.18 0.00 1.97 4.81 -0.76 0.44 114.58 120.86 1n34 h GLU 33 Ca 0.30 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1n34 h GLU 33 Cb 0.58 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1n34 h GLU 33 CO -0.51 -0.12 0.00 0.39 -0.73 0.00 0.00 179.01 178.04 1n34 n GLU 34 N -5.33 0.00 -0.30 1.92 -0.58 0.55 -0.13 120.64 116.76 1n34 n GLU 34 Ca -0.01 0.50 0.05 0.00 -0.42 0.00 0.00 57.16 57.28 1n34 n GLU 34 Cb 0.25 -1.39 0.13 0.00 -0.57 0.00 0.00 31.44 29.86 1n34 n GLU 34 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1n34 n ILE 35 N -1.86 -0.35 -0.26 -3.67 5.41 -1.05 0.32 119.36 117.90 1n34 n ILE 35 Ca 0.00 1.91 0.07 0.00 1.00 0.00 0.00 62.75 65.72 1n34 n ILE 35 Cb 0.00 -2.65 0.18 0.00 -0.71 0.00 0.00 39.64 36.47 1n34 n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1n34 h LEU 36 N 0.00 -0.23 0.64 1.39 3.38 -0.21 0.28 115.31 120.56 1n34 h LEU 36 Ca 0.41 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 1n34 h LEU 36 Cb 0.64 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1n34 h LEU 36 CO -0.85 -0.15 -0.45 -0.09 0.09 0.00 0.00 178.44 176.98 1n34 h ARG 37 N 0.14 -1.01 -0.61 1.13 2.43 0.87 0.30 114.38 117.63 1n34 h ARG 37 Ca 0.44 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.80 1n34 h ARG 37 Cb 0.79 0.23 -0.11 0.00 -0.42 0.00 0.00 29.97 30.46 1n34 h ARG 37 CO -0.64 -0.67 -0.06 0.82 -1.51 0.00 0.00 179.97 177.91 1n34 h ILE 38 N -1.05 0.45 -0.75 1.20 2.04 0.48 2.58 117.51 122.46 1n34 h ILE 38 Ca -0.08 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.89 1n34 h ILE 38 Cb 0.86 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 1n34 h ILE 38 CO 0.04 0.01 0.32 -0.07 0.00 0.00 0.00 178.15 178.46 1n34 h LEU 39 N 0.07 0.33 0.00 1.44 -0.00 0.11 0.40 115.31 117.66 1n34 h LEU 39 Ca 0.31 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1n34 h LEU 39 Cb 0.50 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1n34 h LEU 39 CO -0.57 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.01 1n34 n ALA 40 N -2.48 0.00 0.00 1.53 0.00 0.81 -0.81 120.51 119.56 1n34 n ALA 40 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1n34 n ALA 40 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1n34 n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n34 n ARG 41 N -0.01 0.00 0.00 0.00 1.74 0.19 0.52 116.66 119.09 1n34 n ARG 41 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1n34 n ARG 41 Cb 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 31.66 1n34 n ARG 41 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n34 n GLU 42 N -3.79 0.14 -1.15 5.56 -0.58 0.14 -4.86 120.64 116.10 1n34 n GLU 42 Ca 0.00 0.18 -0.01 0.00 -0.42 0.00 0.00 57.16 56.91 1n34 n GLU 42 Cb 0.00 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1n34 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n34 n GLY 43 N -0.53 0.42 0.10 0.62 0.00 1.97 -4.96 105.19 102.80 1n34 n GLY 43 Ca 0.04 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1n34 n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n34 h PHE 44 N 0.00 0.41 -3.88 1.61 0.04 -1.05 -3.47 116.94 110.59 1n34 h PHE 44 Ca -0.01 -0.30 -0.35 0.00 2.80 0.00 0.00 57.97 60.11 1n34 h PHE 44 Cb 0.17 -0.02 -0.20 0.00 2.20 0.00 0.00 35.95 38.10 1n34 h PHE 44 CO 0.02 1.26 -0.75 0.96 -0.60 0.00 0.00 178.31 179.19 1n34 s ILE 45 N -2.65 0.91 0.33 -0.55 -5.25 -1.24 -4.35 121.20 108.40 1n34 s ILE 45 Ca -0.04 -1.35 0.08 0.00 -0.99 0.00 0.00 60.65 58.35 1n34 s ILE 45 Cb 0.07 -1.03 0.32 0.00 2.95 0.00 0.00 42.46 44.77 1n34 s ILE 45 CO 0.87 -0.37 1.81 0.11 -1.79 0.00 0.00 174.94 175.57 1n34 h LYS 46 N 4.13 0.70 0.00 0.37 1.57 -1.50 -3.41 116.57 118.42 1n34 h LYS 46 Ca -0.38 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1n34 h LYS 46 Cb 1.19 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1n34 h LYS 46 CO 0.44 0.46 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 1n34 n GLY 47 N -1.38 -1.66 2.95 3.86 0.00 -1.20 -4.99 105.19 102.77 1n34 n GLY 47 Ca 0.21 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 1n34 n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n34 s TYR 48 N -2.20 -0.34 0.01 1.61 -0.85 -1.25 -0.45 117.35 113.89 1n34 s TYR 48 Ca 0.00 0.84 -0.06 0.00 -0.52 0.00 0.00 57.07 57.33 1n34 s TYR 48 Cb 0.00 -0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.18 1n34 s TYR 48 CO 0.00 -0.32 0.27 -2.00 -1.52 0.00 0.00 175.55 171.97 1n34 s GLU 49 N 2.37 3.58 0.30 -3.49 2.12 0.55 -4.84 118.70 119.29 1n34 s GLU 49 Ca 0.02 -0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1n34 s GLU 49 Cb -0.12 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 1n34 s GLU 49 CO -0.08 0.65 1.11 1.03 -0.54 0.00 0.00 175.26 177.43 1n34 s ARG 50 N -1.78 4.56 -0.06 4.30 0.52 -1.26 -0.20 118.95 125.03 1n34 s ARG 50 Ca 0.28 1.80 -0.17 0.00 -0.52 0.00 0.00 55.73 57.12 1n34 s ARG 50 Cb -0.13 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.27 1n34 s ARG 50 CO 0.16 0.14 0.38 0.08 0.02 0.00 0.00 175.30 176.09 1n34 s VAL 51 N -1.22 0.03 -0.30 3.52 1.01 -1.01 -4.84 120.40 117.60 1n34 s VAL 51 Ca 0.46 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1n34 s VAL 51 Cb -0.31 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1n34 s VAL 51 CO 0.40 -0.15 0.03 -1.81 0.00 0.00 0.00 175.10 173.57 1n34 s ASP 52 N -0.87 4.93 -0.13 3.32 1.11 -1.26 0.31 116.67 124.09 1n34 s ASP 52 Ca -0.09 -1.04 0.02 0.00 0.18 0.00 0.00 52.55 51.61 1n34 s ASP 52 Cb -0.04 -1.78 -0.00 0.00 1.07 0.00 0.00 42.92 42.17 1n34 s ASP 52 CO 0.04 -0.24 -0.20 0.54 1.18 0.00 0.00 175.17 176.49 1n34 s VAL 53 N 1.36 2.36 -1.45 -1.27 0.11 0.48 -4.39 120.40 117.60 1n34 s VAL 53 Ca -0.02 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1n34 s VAL 53 Cb -0.19 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1n34 s VAL 53 CO -0.00 0.54 0.18 -0.67 -3.33 0.00 0.00 175.10 171.82 1n34 n ASP 54 N 3.75 -5.26 -1.48 3.54 2.03 -1.26 -1.17 116.55 116.69 1n34 n ASP 54 Ca -0.19 -0.09 -0.18 0.00 0.52 0.00 0.00 54.79 54.84 1n34 n ASP 54 Cb 0.52 -4.26 -0.07 0.00 -0.72 0.00 0.00 41.12 36.60 1n34 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n34 n GLY 55 N -1.15 1.55 3.26 0.27 0.00 -1.26 -4.97 105.19 102.89 1n34 n GLY 55 Ca -0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1n34 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n34 s LYS 56 N -3.71 2.70 0.12 1.61 3.01 -0.32 -5.04 119.74 118.12 1n34 s LYS 56 Ca 0.00 -0.89 -0.31 0.00 -1.01 0.00 0.00 55.97 53.76 1n34 s LYS 56 Cb 0.00 -2.21 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 1n34 s LYS 56 CO 0.00 0.33 1.51 -1.25 0.51 0.00 0.00 175.35 176.45 1n34 s PRO 57 N -0.04 4.25 0.00 -1.68 0.04 -1.26 -0.38 135.00 135.93 1n34 s PRO 57 Ca -0.07 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1n34 s PRO 57 Cb -0.15 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1n34 s PRO 57 CO 0.05 -0.56 0.00 0.66 0.04 0.00 0.00 177.00 177.19 1n34 n TYR 58 N 4.28 0.00 -3.66 0.56 4.02 0.93 -1.83 117.16 121.46 1n34 n TYR 58 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.95 1n34 n TYR 58 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.64 1n34 n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1n34 s LEU 59 N 0.00 -0.63 -0.32 7.72 1.02 0.34 -2.40 118.68 124.41 1n34 s LEU 59 Ca 0.00 1.11 -0.25 0.00 0.02 0.00 0.00 54.13 55.01 1n34 s LEU 59 Cb 0.00 1.59 0.01 0.00 0.02 0.00 0.00 46.19 47.80 1n34 s LEU 59 CO 0.00 -0.22 0.85 -0.13 0.02 0.00 0.00 176.35 176.87 1n34 s ARG 60 N 2.31 3.94 -0.40 1.70 1.81 0.72 -1.92 118.95 127.10 1n34 s ARG 60 Ca -0.05 0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 54.47 1n34 s ARG 60 Cb -0.11 -3.75 0.04 0.00 -0.45 0.00 0.00 34.95 30.69 1n34 s ARG 60 CO -0.14 -0.76 0.26 0.08 -0.68 0.00 0.00 175.30 174.05 1n34 s VAL 61 N 3.14 4.79 -0.18 3.52 1.01 0.60 -0.33 120.40 132.95 1n34 s VAL 61 Ca 0.35 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 1n34 s VAL 61 Cb -0.13 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1n34 s VAL 61 CO 0.14 -0.34 0.90 -0.31 0.00 0.00 0.00 175.10 175.49 1n34 s TYR 62 N 1.58 3.41 0.26 5.22 2.02 0.40 -0.19 117.35 130.05 1n34 s TYR 62 Ca 0.03 1.34 -0.19 0.00 -0.37 0.00 0.00 57.07 57.87 1n34 s TYR 62 Cb -0.20 -3.09 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 1n34 s TYR 62 CO 0.07 -0.30 0.75 -0.51 -1.57 0.00 0.00 175.55 174.00 1n34 s LEU 63 N 2.38 4.28 -0.02 -1.29 1.02 -0.82 -1.44 118.68 122.79 1n34 s LEU 63 Ca 0.41 1.44 0.00 0.00 0.02 0.00 0.00 54.13 56.00 1n34 s LEU 63 Cb -0.16 -3.75 -0.04 0.00 0.02 0.00 0.00 46.19 42.26 1n34 s LEU 63 CO 0.12 -0.03 0.01 -0.75 0.02 0.00 0.00 176.35 175.71 1n34 s LYS 64 N -2.20 2.86 0.33 1.70 2.20 -1.26 -4.61 119.74 118.76 1n34 s LYS 64 Ca 0.46 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 1n34 s LYS 64 Cb -0.15 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1n34 s LYS 64 CO 0.20 0.65 0.24 0.66 -0.36 0.00 0.00 175.35 176.74 1n34 n TYR 65 N 1.55 -0.57 -1.70 4.03 4.02 -1.26 -4.35 117.16 118.87 1n34 n TYR 65 Ca -0.15 -2.61 0.00 0.00 -0.01 0.00 0.00 57.90 55.13 1n34 n TYR 65 Cb 0.53 0.22 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1n34 n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n34 n GLY 66 N -0.61 0.33 3.87 2.72 0.00 -0.22 -4.82 105.19 106.45 1n34 n GLY 66 Ca 0.05 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1n34 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n34 s PRO 67 N -1.66 3.77 0.82 1.61 0.04 -1.26 -4.65 135.00 133.67 1n34 s PRO 67 Ca 0.00 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.08 1n34 s PRO 67 Cb 0.00 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 1n34 s PRO 67 CO 0.00 0.56 0.42 -2.13 0.04 0.00 0.00 177.00 175.89 1n34 n ARG 68 N 0.91 0.06 -4.54 4.56 0.63 -1.26 -4.19 116.66 112.83 1n34 n ARG 68 Ca -0.08 0.06 -0.25 0.00 -0.92 0.00 0.00 57.85 56.66 1n34 n ARG 68 Cb 0.52 -1.80 -0.11 0.00 0.45 0.00 0.00 32.46 31.53 1n34 n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1n34 s ARG 69 N -3.05 1.80 0.04 -0.14 0.52 -1.26 -4.89 118.95 111.96 1n34 s ARG 69 Ca 0.61 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1n34 s ARG 69 Cb -0.29 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1n34 s ARG 69 CO 0.63 0.08 0.02 -0.65 0.02 0.00 0.00 175.30 175.39 1n34 s GLN 70 N -3.66 2.76 0.00 3.54 -1.52 -1.26 -4.40 119.66 115.12 1n34 s GLN 70 Ca 0.33 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 1n34 s GLN 70 Cb 0.04 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1n34 s GLN 70 CO 0.16 0.59 0.00 0.41 -0.25 0.00 0.00 175.29 176.20 1n34 n GLY 71 N 0.99 1.50 0.48 3.09 0.00 -1.26 -4.76 105.19 105.23 1n34 n GLY 71 Ca -0.12 -2.14 0.29 0.00 0.00 0.00 0.00 46.02 44.04 1n34 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n34 h PRO 72 N 0.00 0.00 -4.49 1.61 0.13 -2.07 -3.36 132.00 123.82 1n34 h PRO 72 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1n34 h PRO 72 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 1n34 h PRO 72 CO 0.00 0.00 -0.82 0.34 -0.23 0.00 0.00 178.00 177.29 1n34 s ASP 73 N -5.11 2.36 0.00 1.44 3.68 -1.26 -5.11 116.67 112.67 1n34 s ASP 73 Ca -0.05 -0.39 0.00 0.00 2.13 0.00 0.00 52.55 54.25 1n34 s ASP 73 Cb 0.20 -1.00 0.00 0.00 -1.45 0.00 0.00 42.92 40.67 1n34 s ASP 73 CO 0.69 -0.06 0.00 -0.81 0.13 0.00 0.00 175.17 175.12 1n34 n PRO 74 N 4.66 2.06 -1.82 4.34 -0.04 -1.26 -4.57 135.00 138.37 1n34 n PRO 74 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1n34 n PRO 74 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1n34 n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n34 n ARG 75 N 0.00 -4.17 -0.76 0.54 1.74 -1.26 -4.63 116.66 108.12 1n34 n ARG 75 Ca 0.00 3.10 -0.33 0.00 -0.77 0.00 0.00 57.85 59.84 1n34 n ARG 75 Cb 0.00 -3.44 0.14 0.00 -1.02 0.00 0.00 32.46 28.14 1n34 n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1n34 n PRO 76 N 1.43 -0.93 -2.90 5.56 -0.02 -1.26 -4.52 135.00 132.37 1n34 n PRO 76 Ca 0.00 -0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 60.89 1n34 n PRO 76 Cb 0.00 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 1n34 n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1n34 s GLU 77 N -3.30 4.28 0.29 -0.52 2.12 -1.26 -4.75 118.70 115.56 1n34 s GLU 77 Ca 0.54 1.07 -0.29 0.00 0.36 0.00 0.00 54.97 56.64 1n34 s GLU 77 Cb -0.13 -2.45 -0.10 0.00 0.26 0.00 0.00 34.13 31.71 1n34 s GLU 77 CO 0.68 0.12 1.10 -0.65 -0.54 0.00 0.00 175.26 175.97 1n34 s GLN 78 N -2.75 4.62 -0.11 4.30 -1.52 -1.26 -1.06 119.66 121.88 1n34 s GLN 78 Ca 0.56 1.80 -0.06 0.00 -1.95 0.00 0.00 55.36 55.71 1n34 s GLN 78 Cb -0.12 -3.16 -0.05 0.00 -0.22 0.00 0.00 33.01 29.46 1n34 s GLN 78 CO 0.17 0.19 0.10 0.28 -0.25 0.00 0.00 175.29 175.78 1n34 h VAL 79 N 3.06 0.29 -1.20 1.09 2.07 -1.88 -3.38 116.25 116.31 1n34 h VAL 79 Ca -0.47 -1.23 -0.68 0.00 0.82 0.00 0.00 66.70 65.14 1n34 h VAL 79 Cb 1.21 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1n34 h VAL 79 CO 0.67 0.10 1.90 -0.63 0.02 0.00 0.00 177.57 179.63 1n34 s ILE 80 N -1.76 4.29 0.00 4.57 1.01 -1.26 -4.86 121.20 123.18 1n34 s ILE 80 Ca -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.71 1n34 s ILE 80 Cb -0.00 -5.11 0.00 0.00 0.01 0.00 0.00 42.46 37.36 1n34 s ILE 80 CO 0.15 -1.92 0.09 1.41 0.00 0.00 0.00 174.94 174.66 1n34 n HIS 81 N 7.88 0.00 -2.29 3.97 8.25 -0.59 -4.84 115.22 127.61 1n34 n HIS 81 Ca 0.44 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.61 1n34 n HIS 81 Cb 0.46 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.59 1n34 n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1n34 s HIS 82 N -0.18 3.44 0.00 4.41 5.65 0.17 -4.90 115.29 123.89 1n34 s HIS 82 Ca 0.00 0.89 0.00 0.00 0.25 0.00 0.00 55.06 56.20 1n34 s HIS 82 Cb 0.00 -2.65 0.00 0.00 -1.18 0.00 0.00 32.58 28.75 1n34 s HIS 82 CO 0.00 -0.68 0.00 1.51 -0.65 0.00 0.00 174.74 174.92 1n34 n ILE 83 N -2.58 0.00 -3.46 0.89 3.06 -1.26 -1.83 119.36 114.18 1n34 n ILE 83 Ca 0.04 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.15 1n34 n ILE 83 Cb 0.56 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.71 1n34 n ILE 83 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n34 s ARG 84 N 0.00 1.20 0.50 9.51 3.03 -1.15 -5.00 118.95 127.05 1n34 s ARG 84 Ca 0.00 -0.29 -0.17 0.00 2.03 0.00 0.00 55.73 57.30 1n34 s ARG 84 Cb 0.00 0.56 -0.08 0.00 -1.03 0.00 0.00 34.95 34.39 1n34 s ARG 84 CO 0.00 -0.49 0.98 0.50 -1.13 0.00 0.00 175.30 175.16 1n34 s ARG 85 N -3.05 3.98 -0.00 3.89 3.52 -1.26 -3.37 118.95 122.66 1n34 s ARG 85 Ca -0.02 0.97 -0.02 0.00 -0.13 0.00 0.00 55.73 56.53 1n34 s ARG 85 Cb -0.01 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.24 1n34 s ARG 85 CO -0.07 -0.24 -0.03 -0.89 -0.81 0.00 0.00 175.30 173.26 1n34 n ILE 86 N -1.48 0.34 -2.42 4.11 5.41 -1.05 -4.92 119.36 119.35 1n34 n ILE 86 Ca 0.07 0.22 -0.39 0.00 1.00 0.00 0.00 62.75 63.64 1n34 n ILE 86 Cb 0.54 -1.36 -0.04 0.00 -0.71 0.00 0.00 39.64 38.07 1n34 n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1n34 s SER 87 N -4.97 7.03 -0.01 4.38 0.15 -0.88 -4.84 113.70 114.57 1n34 s SER 87 Ca -0.03 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.92 1n34 s SER 87 Cb 0.00 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1n34 s SER 87 CO 0.04 -0.31 -0.01 -0.54 1.20 0.00 0.00 173.24 173.62 1n34 s LYS 88 N -1.76 0.15 -0.60 5.44 1.02 -0.02 -4.88 119.74 119.09 1n34 s LYS 88 Ca 0.49 -0.02 -0.37 0.00 0.02 0.00 0.00 55.97 56.09 1n34 s LYS 88 Cb -0.31 -0.20 -0.17 0.00 -0.52 0.00 0.00 37.83 36.63 1n34 s LYS 88 CO 0.40 -0.01 2.32 -0.35 -0.92 0.00 0.00 175.35 176.79 1n34 n PRO 89 N 3.31 0.30 -0.93 -1.68 -0.04 -1.26 -1.03 135.00 133.67 1n34 n PRO 89 Ca -0.16 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1n34 n PRO 89 Cb 0.57 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1n34 n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n34 n GLY 90 N 6.93 0.20 0.00 0.55 0.00 -1.26 -4.92 105.19 106.69 1n34 n GLY 90 Ca 0.54 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1n34 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n34 n ARG 91 N -0.65 0.00 -1.07 1.61 3.00 -0.19 -5.14 116.66 114.20 1n34 n ARG 91 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1n34 n ARG 91 Cb 0.31 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.92 1n34 n ARG 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1n34 s ARG 92 N 0.00 1.21 -0.08 -0.14 6.06 -1.15 -0.84 118.95 124.02 1n34 s ARG 92 Ca 0.00 1.01 -0.03 0.00 -2.50 0.00 0.00 55.73 54.20 1n34 s ARG 92 Cb 0.00 -1.79 0.04 0.00 0.06 0.00 0.00 34.95 33.26 1n34 s ARG 92 CO 0.00 -2.32 0.15 0.08 -2.50 0.00 0.00 175.30 170.70 1n34 s VAL 93 N -2.84 -0.24 -0.19 7.11 1.01 -1.26 -4.75 120.40 119.24 1n34 s VAL 93 Ca 0.64 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1n34 s VAL 93 Cb -0.19 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1n34 s VAL 93 CO 0.58 0.15 -0.09 -0.31 0.00 0.00 0.00 175.10 175.43 1n34 s TYR 94 N 2.26 2.28 0.62 5.22 1.51 -1.26 -1.41 117.35 126.58 1n34 s TYR 94 Ca 0.03 -1.49 -0.03 0.00 -1.01 0.00 0.00 57.07 54.57 1n34 s TYR 94 Cb -0.12 -1.58 0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1n34 s TYR 94 CO -0.05 -0.72 0.90 0.08 -1.11 0.00 0.00 175.55 174.65 1n34 s VAL 95 N 1.44 2.66 -0.36 0.71 1.01 0.23 -4.91 120.40 121.19 1n34 s VAL 95 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1n34 s VAL 95 Cb -0.16 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.27 1n34 s VAL 95 CO -0.08 -0.07 0.19 -0.83 0.00 0.00 0.00 175.10 174.30 1n34 s GLY 96 N -4.44 1.09 0.00 4.51 0.00 -1.26 -2.72 107.32 104.50 1n34 s GLY 96 Ca 0.58 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1n34 s GLY 96 CO 0.42 1.84 0.00 1.55 0.00 0.00 0.00 173.10 176.91 1n34 n VAL 97 N 4.20 0.00 -0.32 1.40 3.14 -1.26 0.09 118.33 125.58 1n34 n VAL 97 Ca 0.06 0.00 0.31 0.00 -2.96 0.00 0.00 64.34 61.75 1n34 n VAL 97 Cb 0.38 0.00 0.57 0.00 -1.06 0.00 0.00 33.84 33.73 1n34 n VAL 97 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1n34 h LYS 98 N 0.00 0.02 0.00 1.45 1.79 -1.96 1.22 116.57 119.09 1n34 h LYS 98 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n34 h LYS 98 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1n34 h LYS 98 CO 0.00 0.01 0.00 0.39 -1.08 0.00 0.00 179.45 178.77 1n34 n GLU 99 N -5.26 0.07 -2.19 3.15 1.02 0.11 -4.77 120.64 112.79 1n34 n GLU 99 Ca 0.37 0.27 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 1n34 n GLU 99 Cb 1.25 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 31.01 1n34 n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n34 s ILE 100 N -3.10 3.79 0.61 -3.67 1.01 0.42 -4.68 121.20 115.59 1n34 s ILE 100 Ca 0.07 0.89 -0.18 0.00 0.00 0.00 0.00 60.65 61.43 1n34 s ILE 100 Cb 0.11 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1n34 s ILE 100 CO 0.35 -0.36 1.06 -0.81 0.00 0.00 0.00 174.94 175.18 1n34 n PRO 101 N 7.63 0.97 -3.20 2.79 -0.04 -1.26 -5.02 135.00 136.88 1n34 n PRO 101 Ca 0.18 0.38 -0.46 0.00 -0.04 0.00 0.00 63.50 63.56 1n34 n PRO 101 Cb 0.46 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1n34 n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1n34 s ARG 102 N -2.91 3.58 -0.26 0.54 0.52 -1.26 -4.88 118.95 114.28 1n34 s ARG 102 Ca 0.77 -2.20 -0.35 0.00 -0.52 0.00 0.00 55.73 53.44 1n34 s ARG 102 Cb -0.41 -4.58 -0.11 0.00 0.52 0.00 0.00 34.95 30.37 1n34 s ARG 102 CO 0.45 -1.45 2.05 0.28 0.02 0.00 0.00 175.30 176.66 1n34 n VAL 103 N 4.52 0.32 -3.45 3.52 0.31 -1.26 -3.27 118.33 119.01 1n34 n VAL 103 Ca 0.16 -0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 1n34 n VAL 103 Cb 0.47 -1.74 0.03 0.00 -0.91 0.00 0.00 33.84 31.70 1n34 n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n34 n ARG 104 N 7.47 -1.78 -2.33 5.55 5.12 -1.26 -0.65 116.66 128.77 1n34 n ARG 104 Ca 0.33 1.39 0.00 0.00 -1.93 0.00 0.00 57.85 57.64 1n34 n ARG 104 Cb 0.25 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 1n34 n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1n34 n ARG 105 N -0.03 -0.89 0.00 5.56 3.00 -1.20 0.19 116.66 123.29 1n34 n ARG 105 Ca -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 1n34 n ARG 105 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 32.46 33.21 1n34 n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n34 n GLY 106 N -0.88 3.20 0.75 5.14 0.00 -0.69 -4.94 105.19 107.77 1n34 n GLY 106 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1n34 n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n34 n LEU 107 N 0.00 2.18 0.00 0.99 4.77 0.51 -4.91 117.00 120.54 1n34 n LEU 107 Ca 0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1n34 n LEU 107 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1n34 n LEU 107 CO 0.00 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1n34 n GLY 108 N 1.17 5.76 3.20 -0.72 0.00 0.17 -4.86 105.19 109.92 1n34 n GLY 108 Ca 0.15 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1n34 n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n34 s ILE 109 N 1.58 0.14 -0.14 -0.61 -4.36 -0.48 -4.79 121.20 112.53 1n34 s ILE 109 Ca 0.00 -1.14 0.09 0.00 -0.26 0.00 0.00 60.65 59.34 1n34 s ILE 109 Cb 0.00 -1.28 -0.15 0.00 1.25 0.00 0.00 42.46 42.28 1n34 s ILE 109 CO 0.00 -0.63 -0.01 0.00 0.24 0.00 0.00 174.94 174.54 1n34 n ALA 110 N 0.05 1.66 -3.65 2.27 0.00 -1.26 -2.96 120.51 116.60 1n34 n ALA 110 Ca -0.16 -0.84 -0.27 0.00 0.00 0.00 0.00 53.44 52.17 1n34 n ALA 110 Cb 0.62 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.10 1n34 n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1n34 n ILE 111 N -2.65 -5.66 -2.33 0.00 5.41 -1.19 -3.03 119.36 109.91 1n34 n ILE 111 Ca -0.24 -0.63 -0.26 0.00 1.00 0.00 0.00 62.75 62.62 1n34 n ILE 111 Cb 0.90 -4.23 0.13 0.00 -0.71 0.00 0.00 39.64 35.73 1n34 n ILE 111 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1n34 s LEU 112 N -5.91 2.88 -0.10 1.39 1.02 0.04 -2.44 118.68 115.56 1n34 s LEU 112 Ca 0.31 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.38 1n34 s LEU 112 Cb -0.12 -2.20 0.03 0.00 0.02 0.00 0.00 46.19 43.91 1n34 s LEU 112 CO 0.86 -2.12 -0.05 -0.55 0.02 0.00 0.00 176.35 174.51 1n34 s SER 113 N -4.76 1.96 0.45 2.29 0.15 -0.88 -1.54 113.70 111.37 1n34 s SER 113 Ca 0.68 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 57.15 1n34 s SER 113 Cb -0.05 -0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 1n34 s SER 113 CO 0.47 -0.14 0.01 0.42 1.20 0.00 0.00 173.24 175.20 1n34 s THR 114 N 1.77 1.63 -0.25 6.45 -4.23 0.18 -1.62 115.64 119.57 1n34 s THR 114 Ca 0.04 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 58.81 1n34 s THR 114 Cb -0.12 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.35 1n34 s THR 114 CO -0.07 0.00 1.75 0.77 -0.54 0.00 0.00 174.62 176.53 1n34 h SER 115 N 1.58 0.00 0.00 3.99 4.64 -1.98 -1.05 113.55 120.73 1n34 h SER 115 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1n34 h SER 115 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1n34 h SER 115 CO 0.78 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 176.83 1n34 h LYS 116 N 0.00 0.00 0.00 4.77 1.79 -1.94 -3.50 116.57 117.69 1n34 h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n34 h LYS 116 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1n34 h LYS 116 CO 0.00 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.38 1n34 n GLY 117 N 1.67 -0.91 3.74 3.86 0.00 -0.40 -5.12 105.19 108.04 1n34 n GLY 117 Ca -0.06 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1n34 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n34 s VAL 118 N -3.00 5.26 0.17 1.61 1.01 -1.26 0.51 120.40 124.70 1n34 s VAL 118 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 1n34 s VAL 118 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1n34 s VAL 118 CO 0.00 0.39 0.44 -1.48 0.00 0.00 0.00 175.10 174.45 1n34 s LEU 119 N 0.34 0.35 0.85 3.92 2.34 -0.59 -4.97 118.68 120.93 1n34 s LEU 119 Ca 0.19 -0.52 -0.11 0.00 0.06 0.00 0.00 54.13 53.76 1n34 s LEU 119 Cb -0.14 1.86 0.10 0.00 -0.56 0.00 0.00 46.19 47.46 1n34 s LEU 119 CO 0.06 -0.97 1.09 0.42 -1.06 0.00 0.00 176.35 175.90 1n34 s THR 120 N -3.87 2.88 0.00 5.48 -4.23 -1.26 -0.78 115.64 113.86 1n34 s THR 120 Ca 0.09 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1n34 s THR 120 Cb 0.01 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 1n34 s THR 120 CO -0.05 -0.37 1.02 -2.24 -0.54 0.00 0.00 174.62 172.43 1n34 h ASP 121 N -1.41 -0.04 -0.87 3.99 2.03 -1.91 0.80 116.42 119.01 1n34 h ASP 121 Ca -0.47 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 55.98 1n34 h ASP 121 Cb 1.26 0.01 -0.15 0.00 -0.83 0.00 0.00 39.33 39.62 1n34 h ASP 121 CO 0.53 -0.02 -0.33 0.03 -1.03 0.00 0.00 179.24 178.42 1n34 h ARG 122 N -0.03 -0.04 -0.98 4.15 3.08 -1.93 1.17 114.38 119.80 1n34 h ARG 122 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1n34 h ARG 122 Cb 0.02 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 1n34 h ARG 122 CO -0.00 -0.03 0.61 1.49 -1.07 0.00 0.00 179.97 180.97 1n34 h GLU 123 N -0.04 0.70 -0.16 0.04 4.81 -1.81 0.61 114.58 118.73 1n34 h GLU 123 Ca 0.35 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1n34 h GLU 123 Cb 0.60 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1n34 h GLU 123 CO -0.90 0.47 -0.33 0.00 -0.73 0.00 0.00 179.01 177.52 1n34 h ALA 124 N 1.62 0.26 -0.39 2.92 0.00 0.82 -1.91 119.26 122.58 1n34 h ALA 124 Ca 0.54 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1n34 h ALA 124 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1n34 h ALA 124 CO -0.31 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.42 1n34 h ARG 125 N 0.14 0.57 0.00 0.00 3.08 0.36 1.90 114.38 120.42 1n34 h ARG 125 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n34 h ARG 125 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1n34 h ARG 125 CO 0.07 0.52 0.00 1.63 -1.07 0.00 0.00 179.97 181.12 1n34 n LYS 126 N -4.68 0.00 0.29 0.04 5.02 0.20 0.24 118.16 119.28 1n34 n LYS 126 Ca -0.00 0.82 0.17 0.00 -2.02 0.00 0.00 58.31 57.27 1n34 n LYS 126 Cb 0.12 -1.38 0.90 0.00 -0.02 0.00 0.00 35.03 34.64 1n34 n LYS 126 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1n34 h LEU 127 N 0.00 0.00 -2.52 -0.35 -0.00 -1.03 -3.46 115.31 107.95 1n34 h LEU 127 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.71 1n34 h LEU 127 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 40.79 1n34 h LEU 127 CO 0.00 0.00 -0.58 0.61 -0.00 0.00 0.00 178.44 178.47 1n34 n GLY 128 N -1.18 -0.92 3.17 0.83 0.00 0.67 -5.06 105.19 102.70 1n34 n GLY 128 Ca -0.02 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 1n34 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n34 s VAL 129 N -3.26 0.05 0.33 1.61 1.01 -0.67 -4.98 120.40 114.50 1n34 s VAL 129 Ca 0.31 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1n34 s VAL 129 Cb -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1n34 s VAL 129 CO 0.63 -0.24 0.50 -0.83 0.00 0.00 0.00 175.10 175.16 1n34 s GLY 130 N -1.00 1.41 0.00 4.51 0.00 -1.26 -4.35 107.32 106.63 1n34 s GLY 130 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1n34 s GLY 130 CO 0.02 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.62 1n34 n GLY 131 N -1.70 1.55 3.59 0.20 0.00 -1.10 -4.61 105.19 103.13 1n34 n GLY 131 Ca -0.04 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1n34 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n34 s GLU 132 N -1.02 3.48 -0.32 1.61 2.12 -0.64 0.78 118.70 124.72 1n34 s GLU 132 Ca 0.00 0.72 -0.27 0.00 0.36 0.00 0.00 54.97 55.78 1n34 s GLU 132 Cb 0.00 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 1n34 s GLU 132 CO 0.00 -1.69 2.26 -1.17 -0.54 0.00 0.00 175.26 174.12 1n34 s LEU 133 N 5.59 3.43 -0.03 2.70 0.20 -0.50 -2.07 118.68 127.99 1n34 s LEU 133 Ca 0.57 1.59 -0.21 0.00 0.69 0.00 0.00 54.13 56.77 1n34 s LEU 133 Cb -0.12 -3.18 -0.32 0.00 -0.43 0.00 0.00 46.19 42.14 1n34 s LEU 133 CO 0.30 -2.25 0.92 0.40 -0.29 0.00 0.00 176.35 175.42 1n34 h ILE 134 N 7.31 1.47 0.00 6.68 2.04 -1.65 -2.33 117.51 131.03 1n34 h ILE 134 Ca -0.35 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 62.95 1n34 h ILE 134 Cb 1.24 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 1n34 h ILE 134 CO 1.03 0.73 0.00 0.00 0.00 0.00 0.00 178.15 179.91 1n34 s GLU 136 N -0.85 4.33 -0.12 0.00 2.02 -1.22 -4.18 118.70 118.68 1n34 s GLU 136 Ca 0.00 1.31 -0.10 0.00 0.02 0.00 0.00 54.97 56.20 1n34 s GLU 136 Cb 0.00 -2.50 0.03 0.00 0.10 0.00 0.00 34.13 31.76 1n34 s GLU 136 CO 0.00 0.04 0.31 0.08 0.02 0.00 0.00 175.26 175.71 1n34 s VAL 137 N -1.82 -0.01 0.00 2.63 1.01 -1.16 -2.93 120.40 118.12 1n34 s VAL 137 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1n34 s VAL 137 Cb -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1n34 s VAL 137 CO 0.21 0.01 0.00 -2.67 0.00 0.00 0.00 175.10 172.65