#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 4.31 0.00 3.52 0.04 -1.26 -5.02 135.00 136.59 2rng s PRO 2 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2rng s PRO 2 Cb 0.00 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2rng s PRO 2 CO 0.00 -0.53 0.00 1.28 0.04 0.00 0.00 177.00 177.79 2rng n LEU 3 N 5.42 0.00 -4.78 -3.56 4.77 -1.26 -5.05 117.00 112.55 2rng n LEU 3 Ca 0.12 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 2rng n LEU 3 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2rng n LEU 3 CO 0.57 -0.15 0.65 -0.63 -1.33 0.00 0.00 177.39 176.50 2rng s ILE 4 N 1.00 4.19 0.00 -0.08 -1.09 -1.26 -5.06 121.20 118.91 2rng s ILE 4 Ca 0.00 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 2rng s ILE 4 Cb 0.00 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2rng s ILE 4 CO 0.00 0.14 0.00 -0.81 -1.23 0.00 0.00 174.94 173.04 2rng n PRO 5 N 0.54 1.16 -0.05 2.79 -0.04 -1.26 -5.03 135.00 133.12 2rng n PRO 5 Ca 0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2rng n PRO 5 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 2rng n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rng n ALA 6 N -3.00 1.78 -0.09 0.55 0.00 -1.26 -4.65 120.51 113.84 2rng n ALA 6 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.88 2rng n ALA 6 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2rng n ALA 6 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2rng h ILE 7 N 0.00 0.63 -1.12 0.00 2.10 -1.96 0.32 117.51 117.49 2rng h ILE 7 Ca -0.23 0.00 0.32 0.00 1.08 0.00 0.00 64.86 66.02 2rng h ILE 7 Cb 1.44 0.63 -0.06 0.00 -1.09 0.00 0.00 36.82 37.74 2rng h ILE 7 CO -0.02 0.00 0.78 1.88 -1.08 0.00 0.00 178.15 179.72 2rng h TYR 8 N -0.02 0.18 -2.62 2.19 0.05 -1.93 -3.26 116.97 111.55 2rng h TYR 8 Ca 0.16 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 58.38 2rng h TYR 8 Cb 0.27 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2rng h TYR 8 CO -0.32 0.01 1.22 0.42 -1.05 0.00 0.00 178.16 178.44 2rng s ILE 9 N -5.10 3.50 -0.31 -2.88 1.01 0.10 -1.16 121.20 116.35 2rng s ILE 9 Ca -0.06 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2rng s ILE 9 Cb 0.23 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2rng s ILE 9 CO 0.80 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2rng n GLY 10 N 5.01 0.35 0.00 6.18 0.00 0.82 -4.96 105.19 112.58 2rng n GLY 10 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.53 0.00 -3.23 4.61 0.00 -0.31 -4.90 120.51 116.15 2rng n ALA 11 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2rng n ALA 11 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 0.62 -0.81 0.37 0.00 2.01 -1.26 -1.89 115.64 114.67 2rng s THR 12 Ca 0.00 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.93 2rng s THR 12 Cb 0.00 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.60 2rng s THR 12 CO 0.00 -0.12 0.50 1.33 -0.69 0.00 0.00 174.62 175.64 2rng n VAL 13 N 5.39 0.00 -1.65 3.82 0.24 -0.00 -4.80 118.33 121.33 2rng n VAL 13 Ca 0.01 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 2rng n VAL 13 Cb 0.51 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 0.68 1.40 0.16 7.63 0.00 -1.22 0.40 105.19 114.25 2rng n GLY 14 Ca 0.10 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 0.48 0.28 1.61 0.13 -1.78 -2.07 132.00 130.64 2rng h PRO 15 Ca 0.00 -0.46 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2rng h PRO 15 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2rng h PRO 15 CO 0.00 1.10 -0.13 0.66 -0.23 0.00 0.00 178.00 179.39 2rng h SER 16 N 0.03 -0.32 -0.12 1.44 4.64 -1.93 -2.40 113.55 114.89 2rng h SER 16 Ca -0.06 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2rng h SER 16 Cb 1.27 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 2rng h SER 16 CO 0.12 -0.01 0.08 0.58 -0.87 0.00 0.00 176.83 176.73 2rng h VAL 17 N -0.65 1.03 -0.13 0.95 2.07 -1.95 -2.64 116.25 114.94 2rng h VAL 17 Ca -0.04 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2rng h VAL 17 Cb 0.46 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2rng h VAL 17 CO 0.06 0.03 -0.53 -0.25 0.02 0.00 0.00 177.57 176.91 2rng h TRP 18 N 0.16 -1.57 -0.93 1.57 2.91 -1.38 0.47 115.95 117.19 2rng h TRP 18 Ca 0.05 0.06 0.26 0.00 1.13 0.00 0.00 58.89 60.38 2rng h TRP 18 Cb -0.01 0.70 -0.14 0.00 -0.51 0.00 0.00 29.16 29.20 2rng h TRP 18 CO -0.07 -0.53 0.39 0.00 -1.03 0.00 0.00 178.44 177.20 2rng h ALA 19 N -0.34 1.54 0.43 2.65 0.00 -1.30 -1.67 119.26 120.57 2rng h ALA 19 Ca 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2rng h ALA 19 Cb 0.66 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2rng h ALA 19 CO -0.42 -0.45 -0.21 -0.92 0.00 0.00 0.00 179.25 177.24 2rng h TYR 20 N 0.31 -0.55 -0.95 0.00 3.20 -0.58 -2.51 116.97 115.89 2rng h TYR 20 Ca 0.61 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.76 2rng h TYR 20 Cb 1.27 0.19 -0.16 0.00 1.54 0.00 0.00 36.73 39.56 2rng h TYR 20 CO -0.14 -0.34 0.25 1.25 -1.64 0.00 0.00 178.16 177.54 2rng h LEU 21 N -0.58 -0.06 -0.28 2.82 6.46 -0.59 0.37 115.31 123.45 2rng h LEU 21 Ca -0.06 0.24 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 2rng h LEU 21 Cb 0.45 0.33 -0.05 0.00 -0.73 0.00 0.00 40.66 40.66 2rng h LEU 21 CO 0.09 -0.28 -0.07 0.58 -0.62 0.00 0.00 178.44 178.14 2rng h VAL 22 N 0.11 0.71 -0.65 1.05 2.07 -1.09 -1.31 116.25 117.13 2rng h VAL 22 Ca 0.64 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.28 2rng h VAL 22 Cb 1.43 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 2rng h VAL 22 CO -0.77 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.04 2rng h ALA 23 N 1.27 0.84 -0.86 1.67 0.00 0.16 0.61 119.26 122.96 2rng h ALA 23 Ca 0.13 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2rng h ALA 23 Cb 0.21 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2rng h ALA 23 CO -0.29 -0.23 0.55 1.25 0.00 0.00 0.00 179.25 180.52 2rng h LEU 24 N 0.37 0.89 0.00 0.00 5.85 -0.92 -3.43 115.31 118.08 2rng h LEU 24 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2rng h LEU 24 Cb 0.48 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2rng h LEU 24 CO -0.37 0.60 0.00 0.55 -0.34 0.00 0.00 178.44 178.89 2rng n VAL 25 N -4.57 0.00 0.00 1.05 3.14 -0.07 -5.02 118.33 112.87 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 0.11 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 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 3.52 1.33 0.28 7.55 0.00 0.01 -4.95 105.19 112.92 2rng n GLY 26 Ca 0.00 -0.81 0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 0.27 4.61 0.00 -1.94 -1.44 119.26 121.76 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 2.01 -0.52 0.00 0.00 0.00 -1.97 -2.00 119.26 116.78 2rng h ALA 28 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2rng h ALA 28 Cb 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2rng h ALA 28 CO 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 179.25 178.72 2rng h ALA 29 N -1.47 1.51 -0.15 0.00 0.00 -1.91 -0.69 119.26 116.56 2rng h ALA 29 Ca -0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2rng h ALA 29 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rng h ALA 29 CO 0.06 0.04 -0.38 0.28 0.00 0.00 0.00 179.25 179.25 2rng h VAL 30 N 0.00 1.30 0.03 0.00 2.07 -1.25 -1.44 116.25 116.96 2rng h VAL 30 Ca -0.00 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 2rng h VAL 30 Cb 0.09 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2rng h VAL 30 CO 0.00 0.45 -0.41 0.74 0.02 0.00 0.00 177.57 178.38 2rng h THR 31 N 0.27 1.56 0.00 2.57 2.02 -0.35 -3.19 112.91 115.79 2rng h THR 31 Ca 0.03 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.03 2rng h THR 31 Cb 0.80 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 2rng h THR 31 CO 0.06 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.56 2rng h ALA 32 N 0.18 1.00 -0.30 6.16 0.00 -1.42 -2.12 119.26 122.77 2rng h ALA 32 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2rng h ALA 32 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2rng h ALA 32 CO 0.08 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.42 2rng n ALA 33 N -1.96 3.32 -3.79 0.00 0.00 -0.55 -4.91 120.51 112.62 2rng n ALA 33 Ca -0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 53.44 52.26 2rng n ALA 33 Cb 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.11 -4.87 -4.18 0.00 2.85 -0.79 -1.48 115.26 106.89 2rng n ASN 34 Ca 0.16 -0.96 -0.33 0.00 -0.11 0.00 0.00 54.58 53.33 2rng n ASN 34 Cb 0.76 -1.72 -0.16 0.00 1.24 0.00 0.00 39.78 39.90 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2rng s ILE 35 N -3.00 2.33 0.05 -1.44 1.01 -1.22 -0.13 121.20 118.81 2rng s ILE 35 Ca 0.01 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2rng s ILE 35 Cb -0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2rng s ILE 35 CO 0.90 0.52 0.10 -0.13 0.00 0.00 0.00 174.94 176.33 2rng s ARG 36 N 1.13 3.03 0.29 2.79 0.52 -0.79 -4.90 118.95 121.02 2rng s ARG 36 Ca 0.01 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 2rng s ARG 36 Cb -0.14 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 2rng s ARG 36 CO -0.07 0.60 0.56 1.03 0.02 0.00 0.00 175.30 177.44 2rng s ARG 37 N -2.24 3.65 0.14 3.54 0.52 -1.26 -0.82 118.95 122.48 2rng s ARG 37 Ca 0.29 0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 2rng s ARG 37 Cb -0.12 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 2rng s ARG 37 CO 0.21 0.21 -0.08 0.00 0.02 0.00 0.00 175.30 175.67 2rng s ALA 38 N -2.07 1.29 0.45 2.13 0.00 0.16 -4.85 121.76 118.87 2rng s ALA 38 Ca 0.44 -1.46 0.29 0.00 0.00 0.00 0.00 51.96 51.23 2rng s ALA 38 Cb -0.11 0.15 1.37 0.00 0.00 0.00 0.00 23.12 24.54 2rng s ALA 38 CO 0.29 -0.17 1.68 0.77 0.00 0.00 0.00 175.76 178.33 2rng h SER 39 N 2.82 0.25 -0.42 0.00 0.02 -1.88 -3.25 113.55 111.10 2rng h SER 39 Ca -0.36 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2rng h SER 39 Cb 1.18 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2rng h SER 39 CO 0.64 -0.08 0.00 -1.20 -1.14 0.00 0.00 176.83 175.05 2rng n SER 40 N -4.57 0.00 0.04 3.07 7.64 -1.26 -4.63 113.62 113.91 2rng n SER 40 Ca 0.33 -0.53 0.05 0.00 1.01 0.00 0.00 58.87 59.74 2rng n SER 40 Cb 1.31 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 64.76 2rng n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rng n ASP 41 N -0.42 0.18 -4.40 6.43 8.00 -1.26 -3.40 116.55 121.68 2rng n ASP 41 Ca 0.00 0.56 -0.44 0.00 0.71 0.00 0.00 54.79 55.62 2rng n ASP 41 Cb 0.00 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.44 2rng n ASP 41 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2rng s ASN 42 N -3.33 6.18 0.32 -2.24 3.84 -1.26 -4.53 114.94 113.92 2rng s ASN 42 Ca 0.02 -1.24 0.01 0.00 0.21 0.00 0.00 52.86 51.87 2rng s ASN 42 Cb 0.05 -2.23 -0.02 0.00 -0.55 0.00 0.00 41.25 38.50 2rng s ASN 42 CO 0.16 -0.79 0.36 -1.38 -2.79 0.00 0.00 177.10 172.67 2rng s HIS 43 N 2.06 1.33 0.07 0.43 -3.43 -1.26 -4.74 115.29 109.75 2rng s HIS 43 Ca 0.08 -1.43 -0.30 0.00 -0.80 0.00 0.00 55.06 52.61 2rng s HIS 43 Cb -0.23 -0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 30.49 2rng s HIS 43 CO 0.08 -0.98 1.11 -1.54 -2.00 0.00 0.00 174.74 171.41 2rng s SER 44 N -3.28 7.22 0.41 7.38 1.04 -1.26 -0.94 113.70 124.27 2rng s SER 44 Ca 0.35 1.92 0.04 0.00 0.48 0.00 0.00 55.95 58.74 2rng s SER 44 Cb 0.01 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2rng s SER 44 CO 0.22 -0.34 0.05 0.00 0.98 0.00 0.00 173.24 174.14 2rng n ALA 46 N -0.95 -1.21 -0.72 0.00 0.00 -1.26 -2.53 120.51 113.84 2rng n ALA 46 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2rng n ALA 46 Cb 0.66 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 -1.44 0.72 1.76 0.00 0.00 -1.26 -2.52 105.19 102.45 2rng n GLY 47 Ca 0.04 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2rng n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rng n ASN 48 N -1.66 5.95 -0.04 1.61 2.85 -1.26 -3.94 115.26 118.77 2rng n ASN 48 Ca 0.00 -2.77 -0.05 0.00 -0.11 0.00 0.00 54.58 51.65 2rng n ASN 48 Cb 0.00 -1.11 -0.04 0.00 1.24 0.00 0.00 39.78 39.87 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2rng n ARG 49 N 0.96 0.98 -4.44 1.20 5.12 -1.05 -5.07 116.66 114.35 2rng n ARG 49 Ca 0.19 0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.92 2rng n ARG 49 Cb 0.56 -1.16 -0.09 0.00 -1.16 0.00 0.00 32.46 30.60 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2rng s GLY 50 N -4.50 2.22 0.22 -0.13 0.00 -1.05 -4.59 107.32 99.49 2rng s GLY 50 Ca -0.09 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2rng s GLY 50 CO 0.21 -1.76 0.16 -0.98 0.00 0.00 0.00 173.10 170.73 2rng s TRP 51 N -3.38 1.24 -0.24 1.90 0.52 -0.95 -2.23 118.94 115.80 2rng s TRP 51 Ca 0.32 -1.42 -0.07 0.00 0.02 0.00 0.00 56.10 54.95 2rng s TRP 51 Cb 0.06 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 2rng s TRP 51 CO 0.15 -0.68 0.06 0.00 0.02 0.00 0.00 176.95 176.50 2rng s ARG 53 N 1.55 0.88 0.20 0.00 0.52 -0.62 -4.37 118.95 117.10 2rng s ARG 53 Ca 0.06 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 2rng s ARG 53 Cb -0.15 -0.53 0.20 0.00 0.52 0.00 0.00 34.95 34.99 2rng s ARG 53 CO 0.03 0.08 1.64 1.03 0.02 0.00 0.00 175.30 178.09 2rng h SER 54 N 3.42 -0.54 -3.80 0.23 0.87 -1.94 -1.95 113.55 109.85 2rng h SER 54 Ca -0.37 0.17 -0.56 0.00 -1.23 0.00 0.00 61.79 59.80 2rng h SER 54 Cb 1.19 0.36 -0.13 0.00 -0.44 0.00 0.00 62.40 63.37 2rng h SER 54 CO 0.55 -0.19 -0.49 -0.54 -0.53 0.00 0.00 176.83 175.63 2rng s LYS 55 N -6.23 1.95 0.19 2.24 -0.14 -1.26 -4.10 119.74 112.40 2rng s LYS 55 Ca -0.14 -2.20 0.07 0.00 -1.36 0.00 0.00 55.97 52.34 2rng s LYS 55 Cb 0.18 -0.35 -0.05 0.00 -1.68 0.00 0.00 37.83 35.94 2rng s LYS 55 CO 0.73 -0.57 -0.14 0.00 -0.76 0.00 0.00 175.35 174.61 2rng n PHE 57 N -0.33 -4.00 0.13 0.00 3.72 -1.26 -4.96 117.46 110.76 2rng n PHE 57 Ca -0.09 -0.84 -0.23 0.00 -0.05 0.00 0.00 57.45 56.25 2rng n PHE 57 Cb 0.60 -0.74 -0.15 0.00 -0.94 0.00 0.00 39.48 38.26 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2rng h ARG 58 N 0.00 0.52 0.00 -1.08 2.43 -2.00 -3.11 114.38 111.13 2rng h ARG 58 Ca -0.31 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.02 2rng h ARG 58 Cb 0.85 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2rng h ARG 58 CO 0.22 1.39 0.00 1.58 -1.51 0.00 0.00 179.97 181.65 2rng n HIS 59 N -3.71 0.45 -3.48 2.20 -0.00 -1.26 -4.67 115.22 104.75 2rng n HIS 59 Ca -0.15 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2rng n HIS 59 Cb 1.07 -0.86 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 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 -1.95 2.34 -0.32 1.57 1.02 -1.18 -4.71 120.64 117.42 2rng n GLU 60 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rng n GLU 60 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.00 -0.20 -3.99 -0.32 4.11 -0.94 -4.73 117.16 111.10 2rng n TYR 61 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 2rng n TYR 61 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 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 -2.60 2.43 -0.86 -3.48 1.01 -1.26 -2.09 120.40 113.54 2rng s VAL 62 Ca 0.00 -2.75 -0.20 0.00 0.00 0.00 0.00 61.98 59.03 2rng s VAL 62 Cb 0.00 -2.75 -0.21 0.00 0.00 0.00 0.00 36.38 33.42 2rng s VAL 62 CO 0.00 -0.68 2.32 -0.90 0.00 0.00 0.00 175.10 175.83 2rng n ASP 63 N 3.78 0.66 -0.02 3.32 5.68 -0.55 -4.66 116.55 124.76 2rng n ASP 63 Ca 0.04 -1.18 0.21 0.00 -0.50 0.00 0.00 54.79 53.36 2rng n ASP 63 Cb 0.38 -1.27 0.48 0.00 -1.14 0.00 0.00 41.12 39.56 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 7.45 0.09 0.06 2.12 1.35 -1.96 0.89 112.91 122.90 2rng h THR 64 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2rng h THR 64 Cb 1.04 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2rng h THR 64 CO 1.22 0.00 -0.03 0.22 -0.25 0.00 0.00 175.52 176.68 2rng h TYR 65 N 0.00 -0.07 -0.00 4.73 3.20 -1.95 -3.18 116.97 119.70 2rng h TYR 65 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2rng h TYR 65 Cb 2.18 0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.48 2rng h TYR 65 CO 0.00 0.27 -0.19 0.66 -1.64 0.00 0.00 178.16 177.26 2rng n TYR 66 N -4.96 0.00 0.28 -3.82 4.01 0.24 -3.85 117.16 109.05 2rng n TYR 66 Ca -0.08 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.80 2rng n TYR 66 Cb 0.20 -0.19 0.75 0.00 -0.31 0.00 0.00 39.34 39.79 2rng n TYR 66 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rng h SER 67 N 0.69 0.00 0.10 7.72 0.87 -1.35 -1.86 113.55 119.73 2rng h SER 67 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rng h SER 67 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2rng h SER 67 CO 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 176.83 176.25 2rng h ALA 68 N 1.47 -0.13 0.00 6.23 0.00 -1.76 -2.64 119.26 122.42 2rng h ALA 68 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2rng h ALA 68 Cb 0.49 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2rng h ALA 68 CO 0.00 -0.34 -0.23 -0.24 0.00 0.00 0.00 179.25 178.44 2rng h VAL 69 N -0.60 0.85 -0.37 0.00 3.04 -1.64 -2.73 116.25 114.80 2rng h VAL 69 Ca -0.01 -0.89 -0.05 0.00 -1.01 0.00 0.00 66.70 64.74 2rng h VAL 69 Cb 0.48 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 2rng h VAL 69 CO 0.02 0.22 0.06 0.00 -1.01 0.00 0.00 177.57 176.86 2rng n GLY 71 N -0.48 0.80 0.40 0.00 0.00 -1.00 -3.48 105.19 101.42 2rng n GLY 71 Ca -0.01 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 0.35 0.00 1.61 3.08 -1.90 -3.41 114.38 114.11 2rng h ARG 72 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 2rng h ARG 72 Cb 0.00 -0.08 0.05 0.00 0.08 0.00 0.00 29.97 30.03 2rng h ARG 72 CO 0.00 0.23 0.10 0.66 -1.07 0.00 0.00 179.97 179.89 2rng n TYR 73 N -4.47 -3.43 -4.54 3.04 4.02 -1.23 -4.99 117.16 105.56 2rng n TYR 73 Ca 0.17 -0.75 -0.22 0.00 -0.01 0.00 0.00 57.90 57.09 2rng n TYR 73 Cb 0.64 -0.39 -0.16 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.67 1.20 -0.70 -0.72 0.08 -0.73 -4.72 117.98 110.71 2rng s PHE 74 Ca 0.33 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.80 2rng s PHE 74 Cb -0.02 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2rng s PHE 74 CO 0.22 -0.11 1.30 0.00 -0.10 0.00 0.00 175.22 176.53 2rng n ARG 77 N -2.67 0.61 -3.89 0.00 1.74 -0.89 -2.24 116.66 109.32 2rng n ARG 77 Ca 0.05 -1.41 -0.29 0.00 -0.77 0.00 0.00 57.85 55.43 2rng n ARG 77 Cb 0.56 1.64 -0.12 0.00 -1.02 0.00 0.00 32.46 33.52 2rng n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rng s SER 78 N -2.25 4.83 0.00 0.55 0.15 -1.26 -2.21 113.70 113.51 2rng s SER 78 Ca 0.11 -3.76 0.00 0.00 0.70 0.00 0.00 55.95 53.01 2rng s SER 78 Cb -0.02 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2rng s SER 78 CO 0.08 -0.11 0.10 0.54 1.20 0.00 0.00 173.24 175.06