#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 3.47 0.16 -0.53 0.04 -1.26 -4.94 135.00 131.93 2rng s PRO 2 Ca 0.00 1.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.73 2rng s PRO 2 Cb 0.00 -4.08 -0.17 0.00 0.04 0.00 0.00 34.50 30.28 2rng s PRO 2 CO 0.00 -1.70 0.84 -0.11 0.04 0.00 0.00 177.00 176.07 2rng n LEU 3 N 9.33 -0.05 -4.42 -3.56 -0.00 -1.26 -4.73 117.00 112.32 2rng n LEU 3 Ca 0.18 1.14 -0.45 0.00 -0.00 0.00 0.00 56.01 56.88 2rng n LEU 3 Cb 0.48 -1.03 -0.02 0.00 -0.00 0.00 0.00 43.42 42.85 2rng n LEU 3 CO 0.70 -2.21 0.02 -0.38 -0.00 0.00 0.00 177.39 175.52 2rng n ILE 4 N 0.70 1.71 -1.63 1.96 -0.00 -1.26 -4.91 119.36 115.94 2rng n ILE 4 Ca 0.17 -0.50 -0.30 0.00 -0.00 0.00 0.00 62.75 62.12 2rng n ILE 4 Cb 0.22 -0.25 0.06 0.00 -0.00 0.00 0.00 39.64 39.67 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2rng s PRO 5 N -1.19 2.64 0.18 0.38 0.04 -1.26 -4.96 135.00 130.83 2rng s PRO 5 Ca 0.62 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 2rng s PRO 5 Cb -0.79 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 31.87 2rng s PRO 5 CO 0.58 -1.25 1.79 0.00 0.04 0.00 0.00 177.00 178.16 2rng h ALA 6 N -0.82 0.77 -0.26 8.56 0.00 -1.94 -2.99 119.26 122.58 2rng h ALA 6 Ca -0.45 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.42 2rng h ALA 6 Cb 1.24 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2rng h ALA 6 CO 0.59 0.29 -0.30 0.97 0.00 0.00 0.00 179.25 180.81 2rng h ILE 7 N 0.82 0.30 -0.86 0.00 6.09 -1.93 0.13 117.51 122.05 2rng h ILE 7 Ca 0.21 0.00 0.24 0.00 -1.37 0.00 0.00 64.86 63.94 2rng h ILE 7 Cb 0.05 0.30 -0.04 0.00 0.47 0.00 0.00 36.82 37.60 2rng h ILE 7 CO -0.03 0.00 0.61 1.88 -3.07 0.00 0.00 178.15 177.53 2rng h TYR 8 N -0.30 0.11 -3.09 2.19 -1.99 -1.88 -3.29 116.97 108.73 2rng h TYR 8 Ca 0.13 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.33 2rng h TYR 8 Cb 0.52 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 39.22 2rng h TYR 8 CO -0.45 0.03 0.65 0.42 -0.00 0.00 0.00 178.16 178.81 2rng s ILE 9 N -5.07 3.73 -1.71 -2.88 1.01 0.44 -2.40 121.20 114.31 2rng s ILE 9 Ca -0.06 1.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 2rng s ILE 9 Cb 0.22 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2rng s ILE 9 CO 0.77 0.08 0.20 0.61 0.00 0.00 0.00 174.94 176.60 2rng n GLY 10 N 3.37 -0.50 0.00 6.18 0.00 0.17 -4.96 105.19 109.44 2rng n GLY 10 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.51 0.00 -3.26 4.61 0.00 -0.83 -4.85 120.51 113.67 2rng n ALA 11 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 11 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 0.85 -0.74 0.59 0.00 2.01 -1.26 -1.79 115.64 115.30 2rng s THR 12 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2rng s THR 12 Cb 0.00 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.72 2rng s THR 12 CO 0.00 -0.21 0.83 0.68 -0.69 0.00 0.00 174.62 175.23 2rng s VAL 13 N 2.43 2.50 0.00 3.82 -7.23 0.29 -4.75 120.40 117.46 2rng s VAL 13 Ca 0.11 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2rng s VAL 13 Cb -0.11 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2rng s VAL 13 CO -0.24 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 2rng n GLY 14 N -2.44 0.07 0.11 2.32 0.00 -1.25 0.17 105.19 104.17 2rng n GLY 14 Ca 0.11 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 0.26 0.03 1.61 0.13 -1.79 -2.36 132.00 129.88 2rng h PRO 15 Ca 0.00 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2rng h PRO 15 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2rng h PRO 15 CO 0.00 0.93 -0.01 1.03 -0.23 0.00 0.00 178.00 179.72 2rng h SER 16 N -0.32 -0.03 -0.51 1.44 0.87 -1.94 -2.76 113.55 110.30 2rng h SER 16 Ca -0.03 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.21 2rng h SER 16 Cb 1.02 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.94 2rng h SER 16 CO 0.06 0.35 0.25 0.58 -0.53 0.00 0.00 176.83 177.55 2rng h VAL 17 N -0.42 0.96 0.20 2.23 2.07 -1.93 -2.57 116.25 116.79 2rng h VAL 17 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2rng h VAL 17 Cb 0.39 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2rng h VAL 17 CO 0.01 0.09 -0.45 -0.25 0.02 0.00 0.00 177.57 176.98 2rng h TRP 18 N 0.50 -1.30 -1.13 1.57 7.01 -1.40 -0.07 115.95 121.14 2rng h TRP 18 Ca 0.22 0.03 0.37 0.00 2.11 0.00 0.00 58.89 61.62 2rng h TRP 18 Cb 0.13 0.54 -0.14 0.00 -2.10 0.00 0.00 29.16 27.60 2rng h TRP 18 CO -0.10 -0.53 0.69 0.00 -2.79 0.00 0.00 178.44 175.70 2rng h ALA 19 N -0.78 2.31 0.38 2.65 0.00 -1.26 0.22 119.26 122.78 2rng h ALA 19 Ca -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2rng h ALA 19 Cb 0.68 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2rng h ALA 19 CO -0.19 -0.92 -0.18 -0.92 0.00 0.00 0.00 179.25 177.04 2rng h TYR 20 N 0.21 -0.47 0.38 0.00 5.03 -0.63 -2.08 116.97 119.42 2rng h TYR 20 Ca 0.76 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 62.05 2rng h TYR 20 Cb 2.04 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 40.47 2rng h TYR 20 CO -0.01 -0.28 -0.29 1.25 -1.32 0.00 0.00 178.16 177.51 2rng h LEU 21 N -0.52 -0.76 -0.53 2.82 6.46 0.00 -2.27 115.31 120.51 2rng h LEU 21 Ca -0.05 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2rng h LEU 21 Cb 0.40 0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.49 2rng h LEU 21 CO 0.08 -0.44 -0.50 0.58 -0.62 0.00 0.00 178.44 177.54 2rng h VAL 22 N -0.67 0.00 -0.96 1.05 2.07 -1.25 0.42 116.25 116.91 2rng h VAL 22 Ca -0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.74 2rng h VAL 22 Cb 0.58 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 2rng h VAL 22 CO -0.00 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.08 2rng h ALA 23 N -0.03 1.67 -0.86 1.67 0.00 -1.24 0.36 119.26 120.82 2rng h ALA 23 Ca 0.09 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2rng h ALA 23 Cb 0.48 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2rng h ALA 23 CO -0.62 -0.38 0.57 1.25 0.00 0.00 0.00 179.25 180.07 2rng h LEU 24 N 0.43 0.99 0.00 0.00 5.85 0.40 -3.43 115.31 119.55 2rng h LEU 24 Ca 0.63 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.33 2rng h LEU 24 Cb 1.27 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2rng h LEU 24 CO -0.54 0.72 0.00 0.55 -0.34 0.00 0.00 178.44 178.83 2rng n VAL 25 N -4.48 0.00 0.00 1.05 3.14 0.11 -4.93 118.33 113.22 2rng n VAL 25 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2rng n VAL 25 Cb 0.02 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 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 3.34 0.72 0.31 7.55 0.00 -0.51 -4.98 105.19 111.62 2rng n GLY 26 Ca 0.00 -0.80 0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 0.20 4.61 0.00 -1.96 -0.70 119.26 122.41 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 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 2rng h ALA 28 N 2.00 -0.41 0.00 0.00 0.00 -1.97 -1.81 119.26 117.07 2rng h ALA 28 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rng h ALA 28 Cb 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rng h ALA 28 CO 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 179.25 178.83 2rng h ALA 29 N -1.50 1.14 -0.06 0.00 0.00 -1.92 -0.47 119.26 116.44 2rng h ALA 29 Ca -0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2rng h ALA 29 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2rng h ALA 29 CO 0.05 0.03 -0.73 0.28 0.00 0.00 0.00 179.25 178.87 2rng h VAL 30 N 0.00 1.40 0.00 0.00 2.07 -1.13 -1.92 116.25 116.66 2rng h VAL 30 Ca -0.00 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2rng h VAL 30 Cb 0.14 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2rng h VAL 30 CO 0.00 0.65 -0.77 0.74 0.02 0.00 0.00 177.57 178.22 2rng h THR 31 N 0.23 0.00 0.00 2.57 2.02 -0.32 -3.29 112.91 114.12 2rng h THR 31 Ca -0.03 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 2rng h THR 31 Cb 1.31 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 2rng h THR 31 CO 0.12 0.00 -0.70 0.00 0.37 0.00 0.00 175.52 175.31 2rng h ALA 32 N 2.04 0.70 -0.33 6.16 0.00 -1.08 -3.26 119.26 123.48 2rng h ALA 32 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2rng h ALA 32 Cb 0.98 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2rng h ALA 32 CO 0.00 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.65 2rng n ALA 33 N -2.21 3.40 -3.54 0.00 0.00 -0.73 -4.92 120.51 112.51 2rng n ALA 33 Ca -0.00 -1.02 -0.31 0.00 0.00 0.00 0.00 53.44 52.11 2rng n ALA 33 Cb 0.64 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 0.10 -5.55 -3.99 0.00 2.85 -1.23 -1.53 115.26 105.91 2rng n ASN 34 Ca 0.18 -0.38 -0.31 0.00 -0.11 0.00 0.00 54.58 53.96 2rng n ASN 34 Cb 0.81 -2.07 -0.15 0.00 1.24 0.00 0.00 39.78 39.60 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 -2.13 1.75 0.08 -1.44 1.01 -1.24 0.43 121.20 119.68 2rng s ILE 35 Ca 0.23 -1.31 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 2rng s ILE 35 Cb -0.03 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2rng s ILE 35 CO 0.87 -0.02 0.43 -0.13 0.00 0.00 0.00 174.94 176.09 2rng s ARG 36 N 1.30 3.83 0.68 2.79 1.81 -0.74 -4.91 118.95 123.70 2rng s ARG 36 Ca -0.06 0.27 -0.09 0.00 -1.72 0.00 0.00 55.73 54.13 2rng s ARG 36 Cb -0.19 -3.01 0.03 0.00 -0.45 0.00 0.00 34.95 31.33 2rng s ARG 36 CO -0.06 0.56 1.03 1.03 -0.68 0.00 0.00 175.30 177.17 2rng s ARG 37 N -1.82 2.68 0.09 3.54 0.52 -1.25 -0.54 118.95 122.17 2rng s ARG 37 Ca 0.33 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2rng s ARG 37 Cb -0.14 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2rng s ARG 37 CO 0.18 -1.01 -0.01 0.00 0.02 0.00 0.00 175.30 174.48 2rng s ALA 38 N -3.24 0.74 0.39 2.13 0.00 0.44 -4.72 121.76 117.50 2rng s ALA 38 Ca 0.57 -1.33 0.15 0.00 0.00 0.00 0.00 51.96 51.35 2rng s ALA 38 Cb -0.11 0.45 1.00 0.00 0.00 0.00 0.00 23.12 24.46 2rng s ALA 38 CO 0.48 -0.38 1.82 0.77 0.00 0.00 0.00 175.76 178.45 2rng h SER 39 N 3.01 0.51 -2.58 0.00 0.02 -1.87 -3.13 113.55 109.52 2rng h SER 39 Ca -0.35 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2rng h SER 39 Cb 1.17 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2rng h SER 39 CO 0.64 0.18 0.41 -1.20 -1.14 0.00 0.00 176.83 175.72 2rng n SER 40 N -4.59 -1.83 -0.39 3.07 7.64 -1.26 -4.56 113.62 111.69 2rng n SER 40 Ca 0.22 -2.12 0.37 0.00 1.01 0.00 0.00 58.87 58.35 2rng n SER 40 Cb 0.71 3.01 0.74 0.00 -1.01 0.00 0.00 64.21 67.65 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 1.81 0.05 -3.64 6.43 3.32 -1.87 -3.33 116.42 119.19 2rng h ASP 41 Ca -0.28 0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.19 2rng h ASP 41 Cb 1.12 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 2rng h ASP 41 CO 0.36 -0.00 0.59 0.21 -1.72 0.00 0.00 179.24 178.67 2rng s ASN 42 N -4.94 6.52 0.31 6.45 2.47 -1.26 -4.60 114.94 119.89 2rng s ASN 42 Ca -0.05 0.17 -0.04 0.00 0.42 0.00 0.00 52.86 53.36 2rng s ASN 42 Cb 0.24 -2.45 -0.01 0.00 -1.45 0.00 0.00 41.25 37.58 2rng s ASN 42 CO 0.82 -1.03 0.42 -1.38 -3.72 0.00 0.00 177.10 172.21 2rng s HIS 43 N 3.73 0.99 -0.04 0.43 -3.43 -1.26 -4.70 115.29 111.01 2rng s HIS 43 Ca 0.37 -1.22 -0.30 0.00 -0.80 0.00 0.00 55.06 53.11 2rng s HIS 43 Cb -0.10 -0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.89 2rng s HIS 43 CO 0.25 -1.03 1.07 -1.54 -2.00 0.00 0.00 174.74 171.49 2rng s SER 44 N -3.20 7.22 0.38 7.38 1.04 -1.26 -1.20 113.70 124.07 2rng s SER 44 Ca 0.31 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.51 2rng s SER 44 Cb 0.01 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 2rng s SER 44 CO 0.18 -0.42 -0.02 0.00 0.98 0.00 0.00 173.24 173.96 2rng n ALA 46 N -0.90 -2.02 -0.81 0.00 0.00 -1.26 -2.05 120.51 113.48 2rng n ALA 46 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2rng n ALA 46 Cb 0.66 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.62 1.01 1.62 0.00 0.00 -1.26 -1.68 105.19 103.27 2rng n GLY 47 Ca -0.30 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.17 5.08 -0.04 1.61 5.15 -1.26 -3.89 115.26 118.74 2rng n ASN 48 Ca 0.00 -2.72 -0.04 0.00 -0.60 0.00 0.00 54.58 51.22 2rng n ASN 48 Cb 0.00 -0.92 -0.05 0.00 -0.53 0.00 0.00 39.78 38.29 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2rng n ARG 49 N 0.48 2.08 -4.44 1.20 1.74 -0.67 -5.06 116.66 111.99 2rng n ARG 49 Ca 0.19 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 57.07 2rng n ARG 49 Cb 0.66 -1.17 -0.11 0.00 -1.02 0.00 0.00 32.46 30.83 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 -4.12 1.97 0.22 -0.13 0.00 -0.87 -4.46 107.32 99.93 2rng s GLY 50 Ca -0.06 -2.00 -0.03 0.00 0.00 0.00 0.00 44.72 42.64 2rng s GLY 50 CO 0.24 -1.82 0.21 -0.98 0.00 0.00 0.00 173.10 170.75 2rng s TRP 51 N -3.20 1.06 -0.25 1.90 0.52 -0.96 -1.95 118.94 116.07 2rng s TRP 51 Ca 0.34 -1.28 0.00 0.00 0.02 0.00 0.00 56.10 55.18 2rng s TRP 51 Cb 0.07 -0.43 0.04 0.00 -1.15 0.00 0.00 33.47 32.00 2rng s TRP 51 CO 0.14 -0.73 -0.10 0.00 0.02 0.00 0.00 176.95 176.28 2rng s ARG 53 N 1.23 1.17 0.20 0.00 3.00 -0.60 -4.08 118.95 119.88 2rng s ARG 53 Ca -0.03 -1.56 -0.12 0.00 0.00 0.00 0.00 55.73 54.03 2rng s ARG 53 Cb -0.17 -0.48 0.25 0.00 0.00 0.00 0.00 34.95 34.55 2rng s ARG 53 CO -0.06 -0.06 1.68 0.66 0.00 0.00 0.00 175.30 177.51 2rng h SER 54 N 2.64 -0.22 -2.38 0.23 4.64 -1.94 -2.41 113.55 114.12 2rng h SER 54 Ca -0.37 0.14 -0.61 0.00 -0.47 0.00 0.00 61.79 60.47 2rng h SER 54 Cb 1.21 0.23 -0.13 0.00 -0.31 0.00 0.00 62.40 63.40 2rng h SER 54 CO 0.64 -0.08 -0.49 -0.54 -0.87 0.00 0.00 176.83 175.48 2rng s LYS 55 N -6.15 2.06 0.38 4.77 -0.14 -1.26 -4.37 119.74 115.03 2rng s LYS 55 Ca -0.13 -2.29 0.07 0.00 -1.36 0.00 0.00 55.97 52.25 2rng s LYS 55 Cb 0.18 -0.80 -0.07 0.00 -1.68 0.00 0.00 37.83 35.45 2rng s LYS 55 CO 0.73 -0.51 -0.00 0.00 -0.76 0.00 0.00 175.35 174.81 2rng n PHE 57 N -0.88 -3.99 0.07 0.00 3.01 -1.26 -4.98 117.46 109.43 2rng n PHE 57 Ca -0.05 -0.43 -0.18 0.00 1.01 0.00 0.00 57.45 57.80 2rng n PHE 57 Cb 0.66 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.61 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2rng h ARG 58 N 0.00 0.29 0.00 -1.08 2.43 -2.00 -3.26 114.38 110.76 2rng h ARG 58 Ca -0.16 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 2rng h ARG 58 Cb 0.44 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2rng h ARG 58 CO 0.11 1.17 0.00 1.58 -1.51 0.00 0.00 179.97 181.32 2rng n HIS 59 N -3.49 0.00 -4.32 2.20 -0.00 -1.26 -4.82 115.22 103.53 2rng n HIS 59 Ca -0.18 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.84 2rng n HIS 59 Cb 1.05 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.88 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 -0.74 0.82 -0.56 1.57 1.02 -1.23 -4.48 120.64 117.03 2rng n GLU 60 Ca 0.11 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2rng n GLU 60 Cb 0.05 1.03 0.00 0.00 -0.02 0.00 0.00 31.44 32.50 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 -0.58 -0.02 -3.69 -0.32 4.11 -0.61 -4.69 117.16 111.36 2rng n TYR 61 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.48 2rng n TYR 61 Cb 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.62 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 -1.39 3.88 -0.98 -3.48 1.01 -1.26 -2.12 120.40 116.06 2rng s VAL 62 Ca 0.00 -3.07 -0.14 0.00 0.00 0.00 0.00 61.98 58.77 2rng s VAL 62 Cb 0.00 -3.50 -0.30 0.00 0.00 0.00 0.00 36.38 32.57 2rng s VAL 62 CO 0.00 -0.91 2.27 -0.67 0.00 0.00 0.00 175.10 175.78 2rng n ASP 63 N 3.35 -0.90 0.21 3.32 -0.08 0.34 -4.66 116.55 118.12 2rng n ASP 63 Ca 0.10 -0.49 0.15 0.00 -1.51 0.00 0.00 54.79 53.04 2rng n ASP 63 Cb 0.38 -0.69 0.79 0.00 2.34 0.00 0.00 41.12 43.94 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rng h THR 64 N 7.23 0.63 -0.02 5.18 1.35 -1.95 0.48 112.91 125.81 2rng h THR 64 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2rng h THR 64 Cb 1.15 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2rng h THR 64 CO 1.54 0.00 -0.01 0.22 -0.25 0.00 0.00 175.52 177.02 2rng h TYR 65 N 0.00 0.06 -0.00 4.73 5.03 -1.93 -3.15 116.97 121.71 2rng h TYR 65 Ca 0.07 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2rng h TYR 65 Cb 0.36 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2rng h TYR 65 CO 0.00 0.46 -0.17 0.66 -1.32 0.00 0.00 178.16 177.79 2rng n TYR 66 N -4.85 0.00 0.19 -3.82 4.01 -0.88 -3.75 117.16 108.06 2rng n TYR 66 Ca -0.08 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.83 2rng n TYR 66 Cb 0.24 -0.38 0.64 0.00 -0.31 0.00 0.00 39.34 39.53 2rng n TYR 66 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2rng h SER 67 N 0.06 0.00 0.00 7.72 0.02 -0.87 -2.39 113.55 118.09 2rng h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rng h SER 67 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2rng h SER 67 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2rng n ALA 68 N -2.03 -0.31 -0.12 3.77 0.00 -1.25 -2.54 120.51 118.03 2rng n ALA 68 Ca 0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.75 2rng n ALA 68 Cb 0.68 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.73 2rng n ALA 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2rng h VAL 69 N 0.00 0.17 0.22 0.00 3.04 -1.73 -1.29 116.25 116.67 2rng h VAL 69 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2rng h VAL 69 Cb 0.00 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 2rng h VAL 69 CO 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 176.45 2rng n GLY 71 N -0.74 1.13 0.25 0.00 0.00 -0.49 -4.44 105.19 100.91 2rng n GLY 71 Ca -0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2rng n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2rng h ARG 72 N 0.00 -0.53 0.00 1.61 1.12 -1.91 -3.46 114.38 111.22 2rng h ARG 72 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2rng h ARG 72 Cb 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2rng h ARG 72 CO 0.00 -0.22 0.00 0.66 -3.11 0.00 0.00 179.97 177.30 2rng n TYR 73 N -5.17 -3.18 -4.35 2.20 4.01 -1.26 -5.00 117.16 104.41 2rng n TYR 73 Ca -0.09 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.39 2rng n TYR 73 Cb 0.28 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.19 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2rng s PHE 74 N 0.03 1.97 -0.66 -0.72 0.40 -0.91 -4.73 117.98 113.35 2rng s PHE 74 Ca 0.00 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.69 2rng s PHE 74 Cb 0.00 -1.08 0.06 0.00 0.51 0.00 0.00 43.02 42.51 2rng s PHE 74 CO 0.00 0.24 1.03 0.00 0.70 0.00 0.00 175.22 177.19 2rng s ARG 77 N -5.30 1.98 -0.64 0.00 0.52 -0.90 -2.27 118.95 112.34 2rng s ARG 77 Ca 0.58 -1.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.17 2rng s ARG 77 Cb -0.11 0.53 0.17 0.00 0.52 0.00 0.00 34.95 36.05 2rng s ARG 77 CO 0.53 -0.87 0.54 0.45 0.02 0.00 0.00 175.30 175.96 2rng s SER 78 N -3.12 6.05 0.00 0.23 0.15 -1.26 -1.57 113.70 114.18 2rng s SER 78 Ca 0.22 -2.38 0.22 0.00 0.70 0.00 0.00 55.95 54.71 2rng s SER 78 Cb -0.03 -2.08 1.29 0.00 -1.71 0.00 0.00 66.02 63.50 2rng s SER 78 CO 0.14 -0.60 1.67 -1.14 1.20 0.00 0.00 173.24 174.51