#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wse n TYR 2 N 0.00 -0.51 0.26 2.11 4.01 -1.26 0.34 117.16 122.12 2wse n TYR 2 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2wse n TYR 2 Cb 0.00 0.14 0.67 0.00 -0.31 0.00 0.00 39.34 39.85 2wse n TYR 2 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2wse h ILE 3 N 0.00 0.30 0.00 -0.72 -0.00 -2.04 -2.52 117.51 112.52 2wse h ILE 3 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 64.20 2wse h ILE 3 Cb 0.00 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 2wse h ILE 3 CO 0.00 0.10 0.00 0.61 -0.00 0.00 0.00 178.15 178.86 2wse n GLY 4 N -0.19 -0.64 0.11 8.18 0.00 -0.94 -1.29 105.19 110.42 2wse n GLY 4 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2wse n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wse h SER 5 N 0.00 0.30 0.06 1.61 4.64 0.35 0.49 113.55 121.00 2wse h SER 5 Ca 0.00 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2wse h SER 5 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wse h SER 5 CO 0.00 1.45 0.00 -1.20 -0.87 0.00 0.00 176.83 176.21 2wse n SER 6 N -4.14 0.00 -0.00 4.97 7.64 -0.77 -0.97 113.62 120.35 2wse n SER 6 Ca -0.21 -0.20 0.07 0.00 1.01 0.00 0.00 58.87 59.54 2wse n SER 6 Cb 0.79 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.81 2wse n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wse n THR 7 N -1.09 0.00 -0.17 0.44 -1.04 -0.41 -3.36 114.28 108.65 2wse n THR 7 Ca 0.07 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 2wse n THR 7 Cb 0.05 0.43 0.01 0.00 -1.82 0.00 0.00 70.33 69.00 2wse n THR 7 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2wse h ASN 8 N 0.00 0.66 -0.82 8.00 2.35 0.18 0.17 115.58 126.12 2wse h ASN 8 Ca 0.00 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 2wse h ASN 8 Cb 0.54 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 2wse h ASN 8 CO 0.00 0.63 0.36 -0.07 -1.65 0.00 0.00 177.43 176.70 2wse h LEU 9 N 0.65 1.11 -0.86 1.61 3.38 -1.66 -1.22 115.31 118.31 2wse h LEU 9 Ca 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wse h LEU 9 Cb 0.16 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2wse h LEU 9 CO -0.02 0.96 0.33 0.40 0.09 0.00 0.00 178.44 180.20 2wse h ILE 10 N 1.18 1.26 -0.82 1.22 5.03 -1.48 -0.33 117.51 123.57 2wse h ILE 10 Ca 0.28 -0.79 -0.03 0.00 -0.12 0.00 0.00 64.86 64.19 2wse h ILE 10 Cb 0.18 0.30 -0.04 0.00 -3.03 0.00 0.00 36.82 34.23 2wse h ILE 10 CO -0.03 0.32 0.38 -0.03 -0.68 0.00 0.00 178.15 178.12 2wse h MET 11 N 1.14 1.19 -0.73 2.37 1.85 -0.32 -1.24 114.93 119.19 2wse h MET 11 Ca 0.26 -0.19 -0.03 0.00 -0.61 0.00 0.00 59.70 59.14 2wse h MET 11 Cb 0.19 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 2wse h MET 11 CO -0.02 0.93 0.35 0.28 -0.40 0.00 0.00 176.91 178.05 2wse h VAL 12 N 1.17 1.24 -0.62 -5.77 2.07 -0.50 -0.98 116.25 112.86 2wse h VAL 12 Ca 0.28 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2wse h VAL 12 Cb 0.14 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2wse h VAL 12 CO -0.03 0.28 0.25 0.71 0.02 0.00 0.00 177.57 178.80 2wse h THR 13 N 1.02 1.23 -0.65 2.57 1.35 -0.22 0.36 112.91 118.57 2wse h THR 13 Ca 0.25 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 2wse h THR 13 Cb 0.12 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.05 2wse h THR 13 CO -0.03 0.28 0.23 0.00 -0.25 0.00 0.00 175.52 175.75 2wse h THR 14 N 0.86 1.24 -0.64 6.82 1.03 -0.75 -0.44 112.91 121.04 2wse h THR 14 Ca 0.21 -0.80 -0.04 0.00 -0.01 0.00 0.00 66.41 65.76 2wse h THR 14 Cb 0.19 0.54 -0.03 0.00 -1.07 0.00 0.00 68.15 67.79 2wse h THR 14 CO -0.02 0.31 0.23 0.71 -0.01 0.00 0.00 175.52 176.75 2wse h THR 15 N 0.93 1.24 -0.61 0.00 1.35 -0.81 -1.46 112.91 113.56 2wse h THR 15 Ca 0.21 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 2wse h THR 15 Cb 0.25 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 2wse h THR 15 CO -0.01 0.31 0.21 0.74 -0.25 0.00 0.00 175.52 176.51 2wse h THR 16 N 0.91 1.24 -0.59 6.82 2.02 -0.55 -1.76 112.91 121.00 2wse h THR 16 Ca 0.21 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2wse h THR 16 Cb 0.24 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2wse h THR 16 CO -0.01 0.31 0.22 0.25 0.37 0.00 0.00 175.52 176.65 2wse h LEU 17 N 0.86 0.82 -0.58 2.58 6.46 -0.54 -0.97 115.31 123.94 2wse h LEU 17 Ca 0.20 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2wse h LEU 17 Cb 0.26 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2wse h LEU 17 CO -0.01 0.78 0.20 0.24 -0.62 0.00 0.00 178.44 179.03 2wse h MET 18 N 0.81 0.89 -0.65 1.25 0.00 -0.71 0.03 114.93 116.55 2wse h MET 18 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 59.70 59.66 2wse h MET 18 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 31.60 31.67 2wse h MET 18 CO -0.01 0.79 0.20 -0.07 0.00 0.00 0.00 176.91 177.81 2wse h LEU 19 N 0.81 0.95 -0.68 1.22 3.38 -0.94 -0.15 115.31 119.91 2wse h LEU 19 Ca 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2wse h LEU 19 Cb 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2wse h LEU 19 CO -0.01 0.91 0.26 0.15 0.09 0.00 0.00 178.44 179.84 2wse h PHE 20 N 0.95 1.05 -0.77 1.13 -0.00 -0.88 -1.86 116.94 116.56 2wse h PHE 20 Ca 0.21 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.97 58.05 2wse h PHE 20 Cb 0.30 -0.31 -0.03 0.00 -0.00 0.00 0.00 35.95 35.90 2wse h PHE 20 CO 0.02 0.82 0.31 0.00 -0.00 0.00 0.00 178.31 179.47 2wse h ALA 21 N 1.11 0.99 -0.76 2.41 0.00 -0.66 -2.70 119.26 119.65 2wse h ALA 21 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wse h ALA 21 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2wse h ALA 21 CO -0.02 0.61 0.33 0.78 0.00 0.00 0.00 179.25 180.96 2wse h GLY 22 N 1.10 1.20 0.97 0.00 0.00 -0.24 -3.25 103.07 102.86 2wse h GLY 22 Ca 0.26 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2wse h GLY 22 CO -0.02 0.59 0.21 -0.09 0.00 0.00 0.00 176.54 177.23 2wse h ARG 23 N 1.09 0.73 -0.59 4.80 2.43 -1.06 -2.84 114.38 118.95 2wse h ARG 23 Ca 0.26 -0.13 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 2wse h ARG 23 Cb 0.17 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 2wse h ARG 23 CO -0.03 0.65 0.04 0.35 -1.51 0.00 0.00 179.97 179.47 2wse h PHE 24 N 0.65 0.04 0.00 2.20 3.04 -1.75 0.11 116.94 121.24 2wse h PHE 24 Ca 0.17 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2wse h PHE 24 Cb 0.18 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2wse h PHE 24 CO 0.00 -0.11 0.00 0.41 -2.02 0.00 0.00 178.31 176.59 2wse n GLY 25 N -1.34 -0.86 0.00 2.40 0.00 -1.08 -1.96 105.19 102.36 2wse n GLY 25 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wse n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wse n LEU 26 N -1.44 0.55 0.00 0.99 0.00 -1.00 -4.95 117.00 111.15 2wse n LEU 26 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 56.01 55.40 2wse n LEU 26 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.55 2wse n LEU 26 CO 0.11 0.14 0.01 0.00 0.00 0.00 0.00 177.39 177.65 2wse n ALA 27 N -0.20 0.00 -1.26 1.96 0.00 0.36 -3.63 120.51 117.74 2wse n ALA 27 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2wse n ALA 27 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 2wse n ALA 27 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wse n PRO 28 N -0.04 1.99 0.00 0.00 -0.02 -1.26 -4.83 135.00 130.84 2wse n PRO 28 Ca 0.00 -2.01 0.00 0.00 -2.02 0.00 0.00 63.50 59.47 2wse n PRO 28 Cb 0.00 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 30.52 2wse n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wse n SER 29 N 6.63 0.00 -4.16 2.55 2.88 -1.24 -4.73 113.62 115.55 2wse n SER 29 Ca 0.51 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.73 2wse n SER 29 Cb 0.37 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 2wse n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wse n ALA 30 N -3.00 -1.66 0.09 -1.46 0.00 -1.26 -4.78 120.51 108.44 2wse n ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wse n ALA 30 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2wse n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wse n ASN 31 N -2.81 0.10 0.00 0.00 2.85 -1.26 -5.10 115.26 109.04 2wse n ASN 31 Ca -0.13 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 2wse n ASN 31 Cb 0.60 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.79 2wse n ASN 31 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wse n ARG 32 N -3.27 0.00 0.00 1.20 3.00 -1.26 -4.73 116.66 111.60 2wse n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wse n ARG 32 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 2wse n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wse n LYS 33 N 0.00 3.22 -1.33 5.56 5.02 -1.26 -5.08 118.16 124.29 2wse n LYS 33 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2wse n LYS 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2wse n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wse n ALA 34 N -3.00 -2.65 -2.00 7.82 0.00 -1.26 -5.11 120.51 114.31 2wse n ALA 34 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2wse n ALA 34 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2wse n ALA 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wse n THR 35 N -3.35 0.00 -0.05 0.00 5.66 -1.26 -5.04 114.28 110.24 2wse n THR 35 Ca -0.05 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.90 2wse n THR 35 Cb 0.53 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 2wse n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wse n ALA 36 N -3.00 1.74 0.87 1.79 0.00 -1.26 -4.61 120.51 116.03 2wse n ALA 36 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2wse n ALA 36 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2wse n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wse n GLY 37 N 2.41 1.42 0.00 0.00 0.00 -1.26 -4.71 105.19 103.05 2wse n GLY 37 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2wse n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wse n LEU 38 N 0.21 0.00 -4.43 0.99 7.94 -1.26 -5.10 117.00 115.35 2wse n LEU 38 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 2wse n LEU 38 Cb 0.28 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.22 2wse n LEU 38 CO 0.00 0.00 1.17 -0.54 -1.11 0.00 0.00 177.39 176.91 2wse s LYS 39 N 3.46 4.07 0.00 1.96 -0.14 -1.26 -4.72 119.74 123.11 2wse s LYS 39 Ca 0.00 -2.68 0.00 0.00 -1.36 0.00 0.00 55.97 51.93 2wse s LYS 39 Cb 0.00 -4.90 0.00 0.00 -1.68 0.00 0.00 37.83 31.25 2wse s LYS 39 CO 0.00 -1.62 0.00 -0.11 -0.76 0.00 0.00 175.35 172.86 2wse n LEU 40 N 4.91 -0.64 0.00 3.17 -0.00 -1.26 -5.09 117.00 118.09 2wse n LEU 40 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 2wse n LEU 40 Cb 0.42 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2wse n LEU 40 CO 0.56 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 176.11 2wse n GLU 41 N 0.20 0.00 -2.68 1.96 -0.00 -1.26 -5.10 120.64 113.76 2wse n GLU 41 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.74 2wse n GLU 41 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 2wse n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wse s ALA 42 N 0.00 3.35 0.00 -1.84 0.00 -1.26 -4.87 121.76 117.14 2wse s ALA 42 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2wse s ALA 42 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2wse s ALA 42 CO 0.00 -0.52 0.39 -2.13 0.00 0.00 0.00 175.76 173.50 2wse n ARG 43 N 4.73 0.00 0.00 0.00 3.00 -1.26 -5.15 116.66 117.98 2wse n ARG 43 Ca 0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.85 57.54 2wse n ARG 43 Cb 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 32.46 32.55 2wse n ARG 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wse n GLU 44 N 0.00 0.00 0.00 -0.14 2.13 -1.26 -4.95 120.64 116.41 2wse n GLU 44 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wse n GLU 44 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2wse n GLU 44 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wse n SER 45 N -2.81 0.00 0.00 4.31 2.88 -1.26 -4.42 113.62 112.32 2wse n SER 45 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wse n SER 45 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wse n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wse n GLY 46 N 0.00 -0.17 0.00 0.46 0.00 -1.26 -5.13 105.19 99.08 2wse n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wse n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wse n ILE 47 N -1.94 0.00 0.00 -0.61 3.06 -1.26 -5.08 119.36 113.54 2wse n ILE 47 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2wse n ILE 47 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2wse n ILE 47 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wse n GLN 48 N 0.00 0.00 -4.44 9.51 6.02 -1.26 -5.16 117.38 122.04 2wse n GLN 48 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2wse n GLN 48 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 2wse n GLN 48 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2wse s THR 49 N 0.00 1.51 -0.30 5.09 2.01 -1.26 -5.05 115.64 117.64 2wse s THR 49 Ca 0.00 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 2wse s THR 49 Cb 0.00 -1.38 0.18 0.00 0.01 0.00 0.00 72.50 71.30 2wse s THR 49 CO 0.00 0.44 1.19 -0.83 -0.69 0.00 0.00 174.62 174.73 2wse s GLY 50 N 1.00 -0.37 -0.02 4.40 0.00 -1.26 -5.16 107.32 105.91 2wse s GLY 50 Ca -0.06 2.84 -0.02 0.00 0.00 0.00 0.00 44.72 47.48 2wse s GLY 50 CO -0.02 4.05 -0.04 1.34 0.00 0.00 0.00 173.10 178.43 2wse n ASP 51 N 5.33 0.23 0.00 1.64 2.03 -1.26 -4.69 116.55 119.83 2wse n ASP 51 Ca -0.02 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2wse n ASP 51 Cb 0.56 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2wse n ASP 51 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2wse n PRO 52 N -2.71 0.00 -0.23 -0.67 -0.02 -1.26 0.23 135.00 130.35 2wse n PRO 52 Ca -0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.39 2wse n PRO 52 Cb 0.06 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.57 2wse n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wse h ALA 53 N 0.00 0.82 -0.59 3.55 0.00 -1.88 -1.29 119.26 119.87 2wse h ALA 53 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2wse h ALA 53 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wse h ALA 53 CO 0.00 0.46 0.22 0.78 0.00 0.00 0.00 179.25 180.71 2wse h GLY 54 N 0.89 0.96 0.99 0.00 0.00 -0.49 -0.67 103.07 104.75 2wse h GLY 54 Ca 0.21 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2wse h GLY 54 CO -0.01 0.50 0.19 0.74 0.00 0.00 0.00 176.54 177.96 2wse h PHE 55 N 0.82 0.90 -0.69 5.60 -1.00 -0.92 -1.24 116.94 120.42 2wse h PHE 55 Ca 0.20 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 2wse h PHE 55 Cb 0.22 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2wse h PHE 55 CO 0.01 0.75 0.23 0.00 -1.61 0.00 0.00 178.31 177.69 2wse h THR 56 N 0.79 1.25 -0.77 -1.55 1.03 -0.81 -1.50 112.91 111.35 2wse h THR 56 Ca 0.19 -0.86 -0.05 0.00 -0.01 0.00 0.00 66.41 65.68 2wse h THR 56 Cb 0.26 0.51 -0.03 0.00 -1.07 0.00 0.00 68.15 67.82 2wse h THR 56 CO -0.01 0.34 0.30 -0.07 -0.01 0.00 0.00 175.52 176.06 2wse h LEU 57 N 1.01 1.07 -0.80 0.00 3.38 -0.79 -1.32 115.31 117.86 2wse h LEU 57 Ca 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2wse h LEU 57 Cb 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2wse h LEU 57 CO -0.01 0.96 0.36 0.00 0.09 0.00 0.00 178.44 179.84 2wse h ALA 58 N 1.15 1.03 -0.81 1.53 0.00 -0.83 -1.86 119.26 119.48 2wse h ALA 58 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wse h ALA 58 Cb 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2wse h ALA 58 CO -0.02 0.62 0.36 0.22 0.00 0.00 0.00 179.25 180.43 2wse h ASP 59 N 1.14 1.09 -0.82 0.00 1.82 -0.64 -0.78 116.42 118.23 2wse h ASP 59 Ca 0.27 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2wse h ASP 59 Cb 0.16 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.85 2wse h ASP 59 CO -0.03 0.94 0.40 0.74 -1.61 0.00 0.00 179.24 179.68 2wse h THR 60 N 1.17 1.25 -0.85 2.25 2.02 -0.69 -0.57 112.91 117.49 2wse h THR 60 Ca 0.28 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2wse h THR 60 Cb 0.17 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2wse h THR 60 CO -0.03 0.30 0.40 0.25 0.37 0.00 0.00 175.52 176.81 2wse h LEU 61 N 1.17 1.12 -0.85 2.58 5.85 -0.88 -2.69 115.31 121.61 2wse h LEU 61 Ca 0.28 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2wse h LEU 61 Cb 0.11 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2wse h LEU 61 CO -0.04 0.95 0.37 0.00 -0.34 0.00 0.00 178.44 179.38 2wse h ALA 62 N 1.22 1.10 -0.64 1.25 0.00 -0.62 -3.28 119.26 118.29 2wse h ALA 62 Ca 0.29 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2wse h ALA 62 Cb 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2wse h ALA 62 CO -0.04 0.66 0.44 0.00 0.00 0.00 0.00 179.25 180.32 2wse n GLY 64 N -1.60 -0.20 0.15 0.00 0.00 -1.24 -4.20 105.19 98.10 2wse n GLY 64 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2wse n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wse h ALA 65 N 1.90 -0.45 0.00 4.61 0.00 1.82 -3.32 119.26 123.82 2wse h ALA 65 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2wse h ALA 65 Cb 0.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2wse h ALA 65 CO 0.00 -0.42 -1.68 0.28 0.00 0.00 0.00 179.25 177.43 2wse n VAL 66 N -4.14 1.46 0.79 0.00 0.31 -1.26 -3.29 118.33 112.21 2wse n VAL 66 Ca -0.04 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.62 2wse n VAL 66 Cb 0.13 -0.90 0.46 0.00 -0.91 0.00 0.00 33.84 32.61 2wse n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wse n GLY 67 N 1.52 -1.08 3.70 2.92 0.00 -1.26 -4.72 105.19 106.27 2wse n GLY 67 Ca -0.16 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2wse n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wse s HIS 68 N -2.82 1.85 0.00 1.61 2.46 -1.21 -2.62 115.29 114.56 2wse s HIS 68 Ca 0.13 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.30 2wse s HIS 68 Cb 0.13 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2wse s HIS 68 CO 0.34 -2.90 0.00 1.51 -2.47 0.00 0.00 174.74 171.22 2wse n ILE 69 N -3.00 0.00 -0.16 0.89 0.00 -1.26 -4.52 119.36 111.31 2wse n ILE 69 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 62.75 62.81 2wse n ILE 69 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 39.64 40.14 2wse n ILE 69 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2wse h MET 70 N 0.00 0.69 0.08 9.51 2.86 -1.83 -2.66 114.93 123.58 2wse h MET 70 Ca 0.00 -0.12 -0.26 0.00 -2.06 0.00 0.00 59.70 57.26 2wse h MET 70 Cb 0.00 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.55 2wse h MET 70 CO 0.00 0.62 -1.12 0.78 1.06 0.00 0.00 176.91 178.24 2wse h GLY 71 N 0.61 0.41 -0.51 8.32 0.00 -1.73 -3.44 103.07 106.72 2wse h GLY 71 Ca 0.16 -0.88 -0.22 0.00 0.00 0.00 0.00 47.33 46.39 2wse h GLY 71 CO -0.01 0.77 0.02 1.55 0.00 0.00 0.00 176.54 178.87 2wse n VAL 72 N -3.65 0.00 -0.78 4.60 3.14 -1.00 -4.68 118.33 115.96 2wse n VAL 72 Ca -0.08 -0.20 -0.17 0.00 -2.96 0.00 0.00 64.34 60.93 2wse n VAL 72 Cb 0.94 -0.97 -0.10 0.00 -1.06 0.00 0.00 33.84 32.65 2wse n VAL 72 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wse n GLY 73 N -2.06 -0.26 3.66 7.55 0.00 -1.26 -4.53 105.19 108.29 2wse n GLY 73 Ca 0.08 0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.99 2wse n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wse n ILE 74 N 3.42 0.69 -1.46 -0.61 5.41 -1.26 -4.68 119.36 120.87 2wse n ILE 74 Ca 0.35 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.95 2wse n ILE 74 Cb 0.04 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 36.79 2wse n ILE 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2wse n VAL 75 N 5.55 0.00 -3.97 1.39 0.24 -1.26 -5.08 118.33 115.19 2wse n VAL 75 Ca 0.22 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.42 2wse n VAL 75 Cb 0.37 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.63 2wse n VAL 75 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wse s LEU 76 N -0.82 0.28 0.17 1.34 2.96 -1.26 -5.16 118.68 116.19 2wse s LEU 76 Ca 0.00 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 2wse s LEU 76 Cb 0.00 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.67 2wse s LEU 76 CO 0.00 -1.24 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 2wse n GLY 77 N -0.43 -1.94 3.03 7.98 0.00 -1.26 -4.73 105.19 107.84 2wse n GLY 77 Ca -0.02 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2wse n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wse s LEU 78 N -5.16 4.93 -0.08 0.99 1.43 -1.26 -4.91 118.68 114.63 2wse s LEU 78 Ca 0.00 -3.14 -0.01 0.00 -1.03 0.00 0.00 54.13 49.95 2wse s LEU 78 Cb 0.00 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2wse s LEU 78 CO 0.00 -0.27 0.02 0.29 0.23 0.00 0.00 176.35 176.62 2wse n LYS 79 N 3.03 -1.47 0.00 1.70 5.02 -1.26 -4.76 118.16 120.42 2wse n LYS 79 Ca 0.10 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.88 2wse n LYS 79 Cb 0.35 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2wse n LYS 79 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wse n ASN 80 N 1.40 0.00 -0.01 4.39 2.85 -1.26 -1.47 115.26 121.15 2wse n ASN 80 Ca -0.03 0.34 0.10 0.00 -0.11 0.00 0.00 54.58 54.88 2wse n ASN 80 Cb 0.32 -0.34 -0.15 0.00 1.24 0.00 0.00 39.78 40.85 2wse n ASN 80 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2wse n THR 81 N -1.32 0.00 0.00 -0.44 -2.24 -1.26 -5.00 114.28 104.02 2wse n THR 81 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2wse n THR 81 Cb 0.06 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2wse n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wse n GLY 82 N 1.40 2.81 3.77 3.38 0.00 -0.54 -5.01 105.19 111.00 2wse n GLY 82 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2wse n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wse s VAL 83 N -1.28 3.07 -2.07 1.61 1.01 -1.26 -5.11 120.40 116.38 2wse s VAL 83 Ca 0.00 0.75 0.31 0.00 0.00 0.00 0.00 61.98 63.04 2wse s VAL 83 Cb 0.00 -3.35 0.86 0.00 0.00 0.00 0.00 36.38 33.89 2wse s VAL 83 CO 0.00 -0.07 2.16 0.18 0.00 0.00 0.00 175.10 177.38