#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng s PRO 2 N 0.00 4.36 0.00 3.52 0.04 -1.26 -5.03 135.00 136.63 2rng s PRO 2 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2rng s PRO 2 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2rng s PRO 2 CO 0.00 -0.43 0.00 1.28 0.04 0.00 0.00 177.00 177.89 2rng n LEU 3 N 4.91 0.00 -4.58 -3.56 4.77 -1.26 -4.87 117.00 112.41 2rng n LEU 3 Ca 0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 2rng n LEU 3 Cb 0.46 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2rng n LEU 3 CO 0.56 -0.99 0.48 -0.38 -1.33 0.00 0.00 177.39 175.73 2rng n ILE 4 N -2.10 2.75 -1.63 -0.08 2.08 -1.26 -4.95 119.36 114.17 2rng n ILE 4 Ca 0.00 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.51 2rng n ILE 4 Cb 0.00 -1.06 0.08 0.00 -0.75 0.00 0.00 39.64 37.90 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2rng s PRO 5 N -2.22 2.37 0.24 0.38 0.04 -1.26 -4.98 135.00 129.56 2rng s PRO 5 Ca 0.68 0.64 0.16 0.00 0.04 0.00 0.00 61.00 62.52 2rng s PRO 5 Cb -0.50 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.12 2rng s PRO 5 CO 0.54 -1.42 1.30 0.00 0.04 0.00 0.00 177.00 177.45 2rng h ALA 6 N -0.94 0.67 0.01 8.56 0.00 -1.96 -3.36 119.26 122.24 2rng h ALA 6 Ca -0.46 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 53.98 2rng h ALA 6 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2rng h ALA 6 CO 0.60 0.64 -0.29 0.97 0.00 0.00 0.00 179.25 181.16 2rng h ILE 7 N 0.00 0.35 -0.79 0.00 6.09 -1.94 0.24 117.51 121.47 2rng h ILE 7 Ca -0.04 0.00 0.23 0.00 -1.37 0.00 0.00 64.86 63.68 2rng h ILE 7 Cb 1.40 0.35 -0.03 0.00 0.47 0.00 0.00 36.82 39.01 2rng h ILE 7 CO 0.06 0.00 0.75 1.88 -3.07 0.00 0.00 178.15 177.76 2rng h TYR 8 N -0.45 0.00 -3.77 2.19 -1.99 -1.91 -3.31 116.97 107.73 2rng h TYR 8 Ca 0.06 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.28 2rng h TYR 8 Cb 0.53 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.29 2rng h TYR 8 CO -0.32 0.00 0.54 0.42 -0.00 0.00 0.00 178.16 178.80 2rng s ILE 9 N -4.67 3.27 -1.31 -2.88 1.01 0.07 -2.59 121.20 114.10 2rng s ILE 9 Ca -0.04 1.24 -0.10 0.00 0.00 0.00 0.00 60.65 61.74 2rng s ILE 9 Cb 0.17 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.94 2rng s ILE 9 CO 0.60 0.28 0.51 0.61 0.00 0.00 0.00 174.94 176.95 2rng n GLY 10 N 1.25 -0.48 0.00 6.18 0.00 0.26 -4.90 105.19 107.49 2rng n GLY 10 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2rng n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng n ALA 11 N -3.59 0.00 -3.28 4.61 0.00 -0.99 -4.91 120.51 112.35 2rng n ALA 11 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2rng n ALA 11 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2rng n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rng s THR 12 N 0.30 -0.68 0.16 0.00 2.01 -1.26 -1.68 115.64 114.49 2rng s THR 12 Ca 0.00 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 2rng s THR 12 Cb 0.00 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.95 2rng s THR 12 CO 0.00 -0.27 0.22 1.33 -0.69 0.00 0.00 174.62 175.21 2rng n VAL 13 N 4.73 0.00 -2.39 3.82 0.24 0.34 -4.73 118.33 120.34 2rng n VAL 13 Ca 0.08 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2rng n VAL 13 Cb 0.51 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 2rng n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 14 N 3.39 2.05 0.08 7.63 0.00 -1.25 -0.04 105.19 117.05 2rng n GLY 14 Ca 0.03 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 2rng n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rng h PRO 15 N 0.00 0.10 0.18 1.61 0.13 -1.81 -1.64 132.00 130.57 2rng h PRO 15 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2rng h PRO 15 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2rng h PRO 15 CO 0.00 0.71 -0.09 1.03 -0.23 0.00 0.00 178.00 179.42 2rng h SER 16 N -0.50 -0.21 -0.47 1.44 0.87 -1.95 -2.52 113.55 110.22 2rng h SER 16 Ca -0.00 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2rng h SER 16 Cb 0.72 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 2rng h SER 16 CO 0.02 -0.03 0.26 0.58 -0.53 0.00 0.00 176.83 177.13 2rng h VAL 17 N -0.39 1.01 0.03 2.23 2.07 -1.94 -2.54 116.25 116.73 2rng h VAL 17 Ca -0.03 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2rng h VAL 17 Cb 0.30 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2rng h VAL 17 CO 0.04 0.09 -0.33 -0.25 0.02 0.00 0.00 177.57 177.15 2rng h TRP 18 N 0.52 -0.96 -1.16 1.57 7.01 -1.17 0.30 115.95 122.07 2rng h TRP 18 Ca 0.19 0.03 0.34 0.00 2.11 0.00 0.00 58.89 61.56 2rng h TRP 18 Cb 0.05 0.41 -0.11 0.00 -2.10 0.00 0.00 29.16 27.42 2rng h TRP 18 CO -0.08 -0.36 0.74 0.00 -2.79 0.00 0.00 178.44 175.96 2rng h ALA 19 N -0.88 2.45 0.82 2.65 0.00 -1.32 -1.05 119.26 121.94 2rng h ALA 19 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2rng h ALA 19 Cb 0.45 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2rng h ALA 19 CO -0.20 -0.95 -0.39 -0.92 0.00 0.00 0.00 179.25 176.78 2rng h TYR 20 N 0.25 -1.02 -1.03 0.00 3.20 -0.54 -2.63 116.97 115.21 2rng h TYR 20 Ca 0.69 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 62.80 2rng h TYR 20 Cb 1.97 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 40.50 2rng h TYR 20 CO -0.00 -0.63 0.69 1.25 -1.64 0.00 0.00 178.16 177.82 2rng h LEU 21 N -1.20 0.33 0.10 2.82 6.46 -0.28 -0.20 115.31 123.34 2rng h LEU 21 Ca -0.11 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2rng h LEU 21 Cb 0.84 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2rng h LEU 21 CO 0.18 0.08 -0.05 0.58 -0.62 0.00 0.00 178.44 178.61 2rng h VAL 22 N 0.30 0.91 -0.93 1.05 2.07 -1.07 -2.17 116.25 116.40 2rng h VAL 22 Ca 0.56 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 68.10 2rng h VAL 22 Cb 1.60 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 2rng h VAL 22 CO -0.20 0.01 0.59 0.00 0.02 0.00 0.00 177.57 177.98 2rng h ALA 23 N 0.74 1.31 -0.94 1.67 0.00 -0.69 -1.03 119.26 120.32 2rng h ALA 23 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rng h ALA 23 Cb 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2rng h ALA 23 CO 0.02 0.33 0.60 1.25 0.00 0.00 0.00 179.25 181.45 2rng h LEU 24 N 1.05 1.09 0.00 0.00 5.85 -1.09 -3.43 115.31 118.78 2rng h LEU 24 Ca 0.41 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2rng h LEU 24 Cb 0.22 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2rng h LEU 24 CO -0.19 0.81 0.00 0.55 -0.34 0.00 0.00 178.44 179.27 2rng n VAL 25 N -4.41 0.00 0.00 1.05 3.14 -0.62 -5.05 118.33 112.45 2rng n VAL 25 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2rng n VAL 25 Cb 0.03 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rng n GLY 26 N 3.37 0.82 0.31 7.55 0.00 -0.49 -4.98 105.19 111.77 2rng n GLY 26 Ca 0.00 -0.81 0.21 0.00 0.00 0.00 0.00 46.02 45.42 2rng n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng h ALA 27 N 0.00 1.00 0.26 4.61 0.00 -1.94 -0.69 119.26 122.51 2rng h ALA 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rng h ALA 27 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 2rng h ALA 28 N 2.00 -0.46 0.00 0.00 0.00 -1.97 -1.45 119.26 117.38 2rng h ALA 28 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 28 Cb 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2rng h ALA 28 CO 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 179.25 178.79 2rng h ALA 29 N -1.39 1.06 -0.00 0.00 0.00 -1.91 0.30 119.26 117.32 2rng h ALA 29 Ca -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2rng h ALA 29 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2rng h ALA 29 CO 0.06 0.03 -0.85 0.28 0.00 0.00 0.00 179.25 178.76 2rng h VAL 30 N 0.00 1.50 0.00 0.00 2.07 -1.13 -2.16 116.25 116.53 2rng h VAL 30 Ca -0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2rng h VAL 30 Cb 0.24 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2rng h VAL 30 CO 0.00 0.76 -1.00 0.41 0.02 0.00 0.00 177.57 177.76 2rng n THR 31 N -3.66 0.21 0.05 2.57 -1.04 -0.55 -3.74 114.28 108.12 2rng n THR 31 Ca -0.03 -0.27 0.02 0.00 -2.04 0.00 0.00 64.05 61.73 2rng n THR 31 Cb 0.79 0.13 -0.07 0.00 -1.82 0.00 0.00 70.33 69.37 2rng n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rng n ALA 32 N -1.85 2.04 1.75 2.41 0.00 0.00 -3.75 120.51 121.12 2rng n ALA 32 Ca 0.02 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 53.00 2rng n ALA 32 Cb 0.44 -0.99 0.09 0.00 0.00 0.00 0.00 19.45 18.99 2rng n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rng n ALA 33 N -2.35 2.50 -3.03 0.00 0.00 -0.82 -4.92 120.51 111.89 2rng n ALA 33 Ca -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 33 Cb 0.78 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2rng n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rng n ASN 34 N -0.29 -7.76 -4.14 0.00 4.05 -1.25 -1.32 115.26 104.56 2rng n ASN 34 Ca 0.04 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.80 2rng n ASN 34 Cb 0.07 -5.22 -0.16 0.00 1.23 0.00 0.00 39.78 35.71 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2rng s ILE 35 N -2.89 2.15 0.05 -1.44 1.01 -1.25 0.89 121.20 119.73 2rng s ILE 35 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2rng s ILE 35 Cb -0.02 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2rng s ILE 35 CO 0.76 0.53 0.18 -0.13 0.00 0.00 0.00 174.94 176.28 2rng s ARG 36 N 1.27 3.32 0.10 2.79 0.52 -0.68 -4.93 118.95 121.34 2rng s ARG 36 Ca 0.04 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2rng s ARG 36 Cb -0.13 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 2rng s ARG 36 CO -0.12 0.62 0.24 1.03 0.02 0.00 0.00 175.30 177.09 2rng s ARG 37 N -2.35 3.42 0.39 3.54 0.52 -1.26 -0.50 118.95 122.71 2rng s ARG 37 Ca 0.32 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2rng s ARG 37 Cb -0.13 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 2rng s ARG 37 CO 0.25 0.57 0.05 0.00 0.02 0.00 0.00 175.30 176.18 2rng s ALA 38 N -1.61 2.94 0.57 2.13 0.00 0.94 -4.88 121.76 121.85 2rng s ALA 38 Ca 0.35 -1.76 0.30 0.00 0.00 0.00 0.00 51.96 50.85 2rng s ALA 38 Cb -0.12 0.44 1.45 0.00 0.00 0.00 0.00 23.12 24.89 2rng s ALA 38 CO 0.28 -0.22 1.85 0.66 0.00 0.00 0.00 175.76 178.34 2rng h SER 39 N 1.85 0.00 -1.10 0.00 4.64 -1.88 -3.35 113.55 113.71 2rng h SER 39 Ca -0.41 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2rng h SER 39 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2rng h SER 39 CO 0.72 0.00 0.26 -1.20 -0.87 0.00 0.00 176.83 175.73 2rng n SER 40 N -3.87 -0.54 0.25 4.97 7.64 -1.26 -4.75 113.62 116.06 2rng n SER 40 Ca 0.13 -1.22 0.18 0.00 1.01 0.00 0.00 58.87 58.97 2rng n SER 40 Cb 0.85 0.86 0.86 0.00 -1.01 0.00 0.00 64.21 65.77 2rng n SER 40 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rng h ASP 41 N 0.70 0.00 -3.41 6.43 3.32 -1.87 -3.34 116.42 118.26 2rng h ASP 41 Ca -0.09 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.34 2rng h ASP 41 Cb 0.42 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 2rng h ASP 41 CO 0.12 0.00 0.44 0.21 -1.72 0.00 0.00 179.24 178.29 2rng s ASN 42 N -5.09 6.37 0.22 6.45 3.84 -1.26 -4.54 114.94 120.92 2rng s ASN 42 Ca -0.04 -0.28 -0.00 0.00 0.21 0.00 0.00 52.86 52.75 2rng s ASN 42 Cb 0.13 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 2rng s ASN 42 CO 0.43 -1.06 0.28 0.00 -2.79 0.00 0.00 177.10 173.96 2rng n HIS 43 N 7.03 -0.98 -3.65 0.43 1.44 -1.26 -4.72 115.22 113.50 2rng n HIS 43 Ca 0.02 -1.50 -0.32 0.00 -2.01 0.00 0.00 57.72 53.90 2rng n HIS 43 Cb 0.48 0.32 -0.05 0.00 0.12 0.00 0.00 29.99 30.86 2rng n HIS 43 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2rng s SER 44 N -2.36 6.52 0.21 4.39 0.15 -1.26 -0.13 113.70 121.22 2rng s SER 44 Ca 0.19 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.53 2rng s SER 44 Cb -0.00 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2rng s SER 44 CO 0.14 0.08 0.18 0.00 1.20 0.00 0.00 173.24 174.83 2rng n ALA 46 N -1.57 -1.48 -0.44 0.00 0.00 -1.26 -2.61 120.51 113.15 2rng n ALA 46 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2rng n ALA 46 Cb 0.38 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2rng n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rng n GLY 47 N -1.60 -0.28 1.92 0.00 0.00 -1.26 -3.23 105.19 100.74 2rng n GLY 47 Ca -0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2rng n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rng n ASN 48 N -1.17 5.83 -0.02 1.61 3.02 -1.26 -3.95 115.26 119.32 2rng n ASN 48 Ca 0.00 -2.75 -0.02 0.00 -0.03 0.00 0.00 54.58 51.78 2rng n ASN 48 Cb 0.00 -1.20 -0.02 0.00 -0.61 0.00 0.00 39.78 37.95 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rng n ARG 49 N 1.33 2.04 -4.44 3.52 1.74 -1.20 -5.07 116.66 114.59 2rng n ARG 49 Ca 0.28 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.12 2rng n ARG 49 Cb 0.64 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rng s GLY 50 N -3.77 2.15 0.22 -0.13 0.00 -1.07 -4.50 107.32 100.22 2rng s GLY 50 Ca -0.03 -2.04 -0.00 0.00 0.00 0.00 0.00 44.72 42.65 2rng s GLY 50 CO 0.10 -1.97 0.16 -0.98 0.00 0.00 0.00 173.10 170.41 2rng s TRP 51 N -2.57 1.23 -0.18 1.90 0.23 -0.78 -2.17 118.94 116.59 2rng s TRP 51 Ca 0.34 -1.41 -0.02 0.00 -2.03 0.00 0.00 56.10 52.98 2rng s TRP 51 Cb 0.02 -0.56 -0.01 0.00 0.03 0.00 0.00 33.47 32.95 2rng s TRP 51 CO 0.18 -0.68 -0.10 0.00 0.96 0.00 0.00 176.95 177.31 2rng s ARG 53 N 1.06 0.77 0.31 0.00 3.00 -0.61 -4.39 118.95 119.10 2rng s ARG 53 Ca -0.00 -1.17 0.09 0.00 0.00 0.00 0.00 55.73 54.65 2rng s ARG 53 Cb -0.15 -0.31 0.89 0.00 0.00 0.00 0.00 34.95 35.38 2rng s ARG 53 CO -0.02 0.02 1.68 0.66 0.00 0.00 0.00 175.30 177.65 2rng h SER 54 N 3.45 0.42 -5.76 0.23 4.64 -1.94 -1.99 113.55 112.61 2rng h SER 54 Ca -0.36 0.17 -0.39 0.00 -0.47 0.00 0.00 61.79 60.74 2rng h SER 54 Cb 1.18 0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 63.29 2rng h SER 54 CO 0.56 -0.05 -0.40 -0.75 -0.87 0.00 0.00 176.83 175.32 2rng s LYS 55 N -5.79 1.76 0.33 4.77 2.20 -1.26 -4.29 119.74 117.46 2rng s LYS 55 Ca -0.11 -1.90 0.08 0.00 -0.36 0.00 0.00 55.97 53.68 2rng s LYS 55 Cb 0.28 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.89 2rng s LYS 55 CO 0.79 -0.68 -0.07 0.00 -0.36 0.00 0.00 175.35 175.03 2rng s PHE 57 N -2.78 2.04 0.11 0.00 0.08 -1.26 -4.96 117.98 111.21 2rng s PHE 57 Ca 0.32 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.72 2rng s PHE 57 Cb 0.04 -3.91 -0.13 0.00 -0.57 0.00 0.00 43.02 38.44 2rng s PHE 57 CO 0.15 -2.37 1.32 -0.09 -0.10 0.00 0.00 175.22 174.13 2rng h ARG 58 N -1.46 0.76 0.00 0.44 2.43 -2.00 -2.88 114.38 111.67 2rng h ARG 58 Ca -0.45 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.10 2rng h ARG 58 Cb 1.27 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2rng h ARG 58 CO 0.47 1.23 0.00 1.58 -1.51 0.00 0.00 179.97 181.74 2rng n HIS 59 N -3.92 0.00 -4.32 2.20 -0.00 -1.26 -4.75 115.22 103.16 2rng n HIS 59 Ca -0.07 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.96 2rng n HIS 59 Cb 0.75 -0.14 -0.03 0.00 -0.12 0.00 0.00 29.99 30.45 2rng n HIS 59 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2rng n GLU 60 N -1.14 1.14 0.00 1.57 1.02 -1.09 -4.63 120.64 117.51 2rng n GLU 60 Ca 0.10 -1.75 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 2rng n GLU 60 Cb 0.09 0.66 0.00 0.00 -0.02 0.00 0.00 31.44 32.17 2rng n GLU 60 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2rng n TYR 61 N -0.55 0.00 -3.92 -0.32 4.11 -1.02 -4.70 117.16 110.77 2rng n TYR 61 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.52 2rng n TYR 61 Cb 0.31 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.49 2rng n TYR 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2rng s VAL 62 N -1.61 1.60 -0.86 -3.48 1.01 -1.26 -2.13 120.40 113.67 2rng s VAL 62 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.21 2rng s VAL 62 Cb 0.00 -2.03 -0.22 0.00 0.00 0.00 0.00 36.38 34.14 2rng s VAL 62 CO 0.00 -0.37 2.26 -0.90 0.00 0.00 0.00 175.10 176.08 2rng n ASP 63 N 4.59 0.41 -0.09 3.32 5.68 -0.64 -4.66 116.55 125.15 2rng n ASP 63 Ca -0.05 -1.18 0.25 0.00 -0.50 0.00 0.00 54.79 53.30 2rng n ASP 63 Cb 0.43 -1.20 0.52 0.00 -1.14 0.00 0.00 41.12 39.73 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2rng h THR 64 N 7.36 0.10 -0.03 2.12 1.35 -1.96 0.22 112.91 122.06 2rng h THR 64 Ca 0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2rng h THR 64 Cb 1.05 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2rng h THR 64 CO 1.24 0.00 -0.10 0.22 -0.25 0.00 0.00 175.52 176.63 2rng h TYR 65 N 0.00 0.17 -0.01 4.73 5.03 -1.96 -3.27 116.97 121.65 2rng h TYR 65 Ca 0.38 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.62 2rng h TYR 65 Cb 2.32 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.57 2rng h TYR 65 CO 0.00 0.72 -0.22 0.66 -1.32 0.00 0.00 178.16 178.00 2rng n TYR 66 N -4.67 0.00 0.18 -3.82 4.02 0.56 -3.95 117.16 109.48 2rng n TYR 66 Ca -0.08 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.98 2rng n TYR 66 Cb 0.36 -0.12 0.69 0.00 -0.02 0.00 0.00 39.34 40.26 2rng n TYR 66 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2rng h SER 67 N 1.17 0.00 0.16 7.72 0.87 -1.07 -2.15 113.55 120.25 2rng h SER 67 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2rng h SER 67 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2rng h SER 67 CO 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 176.83 176.22 2rng h ALA 68 N 1.25 -0.46 -1.55 6.23 0.00 -1.79 -2.83 119.26 120.11 2rng h ALA 68 Ca 0.13 -0.05 0.45 0.00 0.00 0.00 0.00 54.91 55.45 2rng h ALA 68 Cb 1.14 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2rng h ALA 68 CO -0.00 -0.44 1.10 -0.24 0.00 0.00 0.00 179.25 179.67 2rng h VAL 69 N -0.45 0.21 0.46 0.00 3.04 -1.68 -0.38 116.25 117.45 2rng h VAL 69 Ca -0.02 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 2rng h VAL 69 Cb 0.16 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2rng h VAL 69 CO 0.04 0.00 -0.22 0.00 -1.01 0.00 0.00 177.57 176.38 2rng n GLY 71 N -0.52 0.88 0.41 0.00 0.00 -0.16 -4.38 105.19 101.42 2rng n GLY 71 Ca -0.08 -1.48 0.20 0.00 0.00 0.00 0.00 46.02 44.66 2rng n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rng h ARG 72 N 0.00 0.36 0.00 1.61 -0.00 -1.90 -3.41 114.38 111.04 2rng h ARG 72 Ca 0.00 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.98 59.28 2rng h ARG 72 Cb 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 29.97 29.95 2rng h ARG 72 CO 0.00 0.24 0.12 0.66 0.00 0.00 0.00 179.97 180.99 2rng n TYR 73 N -4.49 -3.65 -4.36 3.04 4.02 -1.26 -4.98 117.16 105.46 2rng n TYR 73 Ca 0.19 -0.59 -0.23 0.00 -0.01 0.00 0.00 57.90 57.26 2rng n TYR 73 Cb 0.72 -0.37 -0.17 0.00 -0.02 0.00 0.00 39.34 39.51 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2rng s PHE 74 N -1.74 1.22 -0.75 -0.72 0.08 -0.75 -4.81 117.98 110.52 2rng s PHE 74 Ca 0.29 -0.45 -0.27 0.00 0.12 0.00 0.00 56.93 56.63 2rng s PHE 74 Cb -0.01 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.51 2rng s PHE 74 CO 0.20 -0.28 1.35 0.00 -0.10 0.00 0.00 175.22 176.39 2rng s ARG 77 N -5.21 1.58 -0.30 0.00 0.52 -0.90 -1.87 118.95 112.77 2rng s ARG 77 Ca 0.56 -1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 2rng s ARG 77 Cb -0.11 0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 2rng s ARG 77 CO 0.54 -0.65 0.16 -1.54 0.02 0.00 0.00 175.30 173.82 2rng s SER 78 N -3.05 5.62 0.00 0.23 1.04 -1.26 -2.43 113.70 113.85 2rng s SER 78 Ca 0.24 -0.38 0.31 0.00 0.48 0.00 0.00 55.95 56.60 2rng s SER 78 Cb -0.00 -2.03 1.85 0.00 0.10 0.00 0.00 66.02 65.94 2rng s SER 78 CO 0.10 -0.15 2.18 -1.14 0.98 0.00 0.00 173.24 175.21