#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gsp h ASP 3 N 5.09 0.17 -3.54 0.00 3.32 -1.47 -3.44 116.42 116.55 4gsp h ASP 3 Ca -0.47 -0.15 -0.30 0.00 0.02 0.00 0.00 57.03 56.13 4gsp h ASP 3 Cb 1.21 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 4gsp h ASP 3 CO 0.67 1.01 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.16 4gsp s TYR 4 N -3.03 0.09 -0.23 4.55 2.02 -0.57 -4.97 117.35 115.20 4gsp s TYR 4 Ca -0.02 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 4gsp s TYR 4 Cb 0.10 -0.25 0.05 0.00 -0.40 0.00 0.00 41.96 41.46 4gsp s TYR 4 CO 0.83 -0.09 -0.14 0.99 -1.57 0.00 0.00 175.55 175.57 4gsp s THR 5 N 0.93 2.15 -0.60 -0.71 2.01 0.20 -0.98 115.64 118.65 4gsp s THR 5 Ca -0.08 -1.39 -0.05 0.00 0.31 0.00 0.00 61.69 60.48 4gsp s THR 5 Cb -0.12 -2.14 0.16 0.00 0.01 0.00 0.00 72.50 70.41 4gsp s THR 5 CO -0.02 0.17 0.43 0.00 -0.69 0.00 0.00 174.62 174.51 4gsp n GLY 7 N 3.88 2.23 0.00 0.00 0.00 -1.26 -1.33 105.19 108.71 4gsp n GLY 7 Ca 0.05 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.21 4gsp n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 4gsp n SER 8 N 10.34 0.82 -4.72 1.61 7.64 -1.26 -4.94 113.62 123.11 4gsp n SER 8 Ca 0.00 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.70 4gsp n SER 8 Cb 0.00 1.01 -0.04 0.00 -1.01 0.00 0.00 64.21 64.18 4gsp n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 4gsp s ASN 9 N -3.22 7.37 -0.22 6.43 0.01 -0.44 -5.04 114.94 119.83 4gsp s ASN 9 Ca 0.06 1.80 -0.04 0.00 -0.71 0.00 0.00 52.86 53.97 4gsp s ASN 9 Cb 0.16 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 4gsp s ASN 9 CO 0.85 -0.21 -0.04 0.00 -1.51 0.00 0.00 177.10 176.19 4gsp s TYR 11 N 1.41 2.02 0.42 0.00 2.02 -0.15 -5.02 117.35 118.04 4gsp s TYR 11 Ca 0.05 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 4gsp s TYR 11 Cb -0.14 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 4gsp s TYR 11 CO -0.02 0.07 0.56 -1.54 -1.57 0.00 0.00 175.55 173.05 4gsp s SER 12 N -1.01 5.64 0.35 2.29 1.04 -1.26 -1.13 113.70 119.61 4gsp s SER 12 Ca 0.09 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.12 4gsp s SER 12 Cb -0.09 -0.66 0.63 0.00 0.10 0.00 0.00 66.02 66.00 4gsp s SER 12 CO 0.01 -0.76 1.94 0.77 0.98 0.00 0.00 173.24 176.18 4gsp h SER 13 N 0.65 0.59 -0.04 7.02 4.64 -1.98 -2.03 113.55 122.41 4gsp h SER 13 Ca -0.40 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 4gsp h SER 13 Cb 1.28 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 4gsp h SER 13 CO 0.45 0.54 -0.26 0.77 -0.87 0.00 0.00 176.83 177.46 4gsp h SER 14 N 0.65 0.47 -0.34 4.97 4.64 -1.99 -0.33 113.55 121.62 4gsp h SER 14 Ca 0.16 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 4gsp h SER 14 Cb 0.14 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 4gsp h SER 14 CO -0.01 0.73 0.16 0.44 -0.87 0.00 0.00 176.83 177.28 4gsp h ASP 15 N 0.41 0.45 -0.29 4.97 3.32 -1.77 -1.84 116.42 121.68 4gsp h ASP 15 Ca 0.06 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 4gsp h ASP 15 Cb 0.68 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 4gsp h ASP 15 CO 0.05 0.45 0.05 0.58 -1.72 0.00 0.00 179.24 178.65 4gsp h VAL 16 N 0.42 1.23 -0.80 -1.35 2.07 -1.15 -2.37 116.25 114.30 4gsp h VAL 16 Ca 0.12 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 4gsp h VAL 16 Cb 0.12 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 4gsp h VAL 16 CO -0.01 0.26 0.48 0.28 0.02 0.00 0.00 177.57 178.59 4gsp h SER 17 N 0.31 0.97 -0.32 0.57 0.02 -1.00 0.31 113.55 114.41 4gsp h SER 17 Ca 0.09 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 4gsp h SER 17 Cb 0.34 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 4gsp h SER 17 CO 0.01 0.76 0.13 0.74 -1.14 0.00 0.00 176.83 177.33 4gsp h THR 18 N 1.10 1.18 -0.21 -2.27 2.02 -1.28 -0.78 112.91 112.68 4gsp h THR 18 Ca 0.29 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 4gsp h THR 18 Cb -0.03 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 4gsp h THR 18 CO -0.05 0.19 0.06 0.00 0.37 0.00 0.00 175.52 176.09 4gsp h ALA 19 N 0.97 0.28 -0.54 6.16 0.00 -1.16 -2.89 119.26 122.08 4gsp h ALA 19 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 4gsp h ALA 19 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 4gsp h ALA 19 CO -0.01 -0.09 0.30 0.37 0.00 0.00 0.00 179.25 179.83 4gsp h GLN 20 N 0.17 0.57 -0.94 0.00 4.15 -0.84 -1.89 115.11 116.33 4gsp h GLN 20 Ca 0.07 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.50 4gsp h GLN 20 Cb 0.25 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.75 4gsp h GLN 20 CO -0.00 0.38 0.61 0.00 -1.93 0.00 0.00 178.83 177.89 4gsp h ALA 21 N 1.26 1.28 -0.20 3.38 0.00 -1.06 0.25 119.26 124.16 4gsp h ALA 21 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 4gsp h ALA 21 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 4gsp h ALA 21 CO -0.13 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 4gsp h ALA 22 N 1.41 0.28 -0.59 0.00 0.00 -1.22 -1.87 119.26 117.26 4gsp h ALA 22 Ca 0.39 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 4gsp h ALA 22 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 4gsp h ALA 22 CO -0.15 0.04 0.05 0.78 0.00 0.00 0.00 179.25 179.97 4gsp h GLY 23 N 0.11 1.06 1.02 0.00 0.00 -1.01 -2.52 103.07 101.74 4gsp h GLY 23 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 4gsp h GLY 23 CO 0.02 0.67 -0.04 -1.82 0.00 0.00 0.00 176.54 175.36 4gsp h TYR 24 N 0.92 0.98 -0.37 5.60 3.20 -0.92 -1.55 116.97 124.82 4gsp h TYR 24 Ca 0.18 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.90 4gsp h TYR 24 Cb 0.46 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 4gsp h TYR 24 CO 0.03 0.94 0.14 -0.22 -1.64 0.00 0.00 178.16 177.41 4gsp h LYS 25 N 0.75 0.30 -0.52 1.82 1.63 -1.19 0.57 116.57 119.93 4gsp h LYS 25 Ca 0.13 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 4gsp h LYS 25 Cb 0.57 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 4gsp h LYS 25 CO 0.03 0.20 0.14 -0.07 -3.45 0.00 0.00 179.45 176.29 4gsp h LEU 26 N 0.30 0.73 -0.39 5.20 3.38 -1.31 -1.89 115.31 121.33 4gsp h LEU 26 Ca 0.17 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 4gsp h LEU 26 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 4gsp h LEU 26 CO -0.16 0.71 0.09 -0.74 0.09 0.00 0.00 178.44 178.44 4gsp h HIS 27 N 0.76 0.66 -0.85 1.13 2.76 -0.34 -1.43 115.15 117.85 4gsp h HIS 27 Ca 0.17 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 4gsp h HIS 27 Cb 0.27 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 4gsp h HIS 27 CO 0.01 0.64 0.46 0.93 -1.30 0.00 0.00 177.93 178.67 4gsp h GLU 28 N 0.49 1.18 -0.00 5.26 4.39 -0.56 -2.42 114.58 122.92 4gsp h GLU 28 Ca 0.12 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.69 4gsp h GLU 28 Cb 0.31 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 4gsp h GLU 28 CO 0.00 0.87 -0.06 -0.25 -1.16 0.00 0.00 179.01 178.40 4gsp n ASP 29 N -4.34 0.20 -2.53 1.42 8.00 -0.74 -4.93 116.55 113.63 4gsp n ASP 29 Ca 0.09 -0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.17 4gsp n ASP 29 Cb 0.10 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.05 4gsp n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4gsp n GLY 30 N 1.31 -0.06 3.41 0.44 0.00 -0.70 -5.03 105.19 104.56 4gsp n GLY 30 Ca 0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 4gsp n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4gsp s GLU 31 N -5.82 1.50 0.10 1.61 2.02 -0.62 -5.05 118.70 112.45 4gsp s GLU 31 Ca 0.37 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.67 4gsp s GLU 31 Cb -0.16 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 4gsp s GLU 31 CO 0.46 0.21 -0.02 0.95 0.02 0.00 0.00 175.26 176.88 4gsp s THR 32 N -2.81 0.44 0.05 3.63 -4.23 -1.26 -4.42 115.64 107.03 4gsp s THR 32 Ca 0.27 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 4gsp s THR 32 Cb -0.01 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 4gsp s THR 32 CO 0.11 -0.75 -0.09 0.68 -0.54 0.00 0.00 174.62 174.03 4gsp s VAL 33 N -3.80 0.63 0.00 2.29 -7.23 0.23 -4.90 120.40 107.62 4gsp s VAL 33 Ca 0.15 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 4gsp s VAL 33 Cb 0.07 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.32 4gsp s VAL 33 CO -0.03 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 4gsp n GLY 34 N 1.44 -1.28 0.29 2.32 0.00 -1.26 -1.29 105.19 105.41 4gsp n GLY 34 Ca -0.23 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.41 4gsp n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 4gsp h SER 35 N 0.00 0.00 -0.56 1.61 0.02 -1.98 -2.15 113.55 110.49 4gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4gsp h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 4gsp h SER 35 CO 0.00 0.04 0.00 0.59 -1.14 0.00 0.00 176.83 176.32 4gsp n ASN 36 N -3.19 3.34 -3.20 3.07 5.03 -1.26 -5.01 115.26 114.04 4gsp n ASN 36 Ca -0.01 -1.98 -0.13 0.00 0.87 0.00 0.00 54.58 53.33 4gsp n ASN 36 Cb 0.25 -0.37 0.01 0.00 -1.02 0.00 0.00 39.78 38.65 4gsp n ASN 36 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 4gsp n SER 37 N 1.35 -6.96 -4.88 6.41 2.88 -0.81 -4.93 113.62 106.68 4gsp n SER 37 Ca 0.21 -0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.35 4gsp n SER 37 Cb 0.55 -4.11 -0.05 0.00 -0.75 0.00 0.00 64.21 59.84 4gsp n SER 37 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 4gsp s TYR 38 N -2.64 3.51 0.47 0.66 2.02 -0.41 -3.82 117.35 117.15 4gsp s TYR 38 Ca 0.14 0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 57.06 4gsp s TYR 38 Cb -0.03 -1.82 -0.07 0.00 -0.40 0.00 0.00 41.96 39.64 4gsp s TYR 38 CO 0.80 0.64 0.88 -1.25 -1.57 0.00 0.00 175.55 175.06 4gsp s PRO 39 N -1.81 3.82 0.16 -1.71 0.04 -1.26 -0.61 135.00 133.63 4gsp s PRO 39 Ca 0.25 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 4gsp s PRO 39 Cb -0.12 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 4gsp s PRO 39 CO 0.16 -0.19 0.21 -3.38 0.04 0.00 0.00 177.00 173.84 4gsp s HIS 40 N -2.57 0.59 0.21 0.56 -3.43 -1.15 -4.94 115.29 104.56 4gsp s HIS 40 Ca 0.55 -0.95 -0.32 0.00 -0.80 0.00 0.00 55.06 53.54 4gsp s HIS 40 Cb -0.10 -0.21 -0.14 0.00 -1.43 0.00 0.00 32.58 30.69 4gsp s HIS 40 CO 0.34 -0.66 1.31 1.17 -2.00 0.00 0.00 174.74 174.91 4gsp n LYS 41 N -0.18 1.71 -3.88 -0.38 4.81 -1.26 -0.93 118.16 118.04 4gsp n LYS 41 Ca -0.06 0.61 -0.35 0.00 -0.87 0.00 0.00 58.31 57.63 4gsp n LYS 41 Cb 0.63 -2.20 -0.14 0.00 0.02 0.00 0.00 35.03 33.34 4gsp n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 4gsp s TYR 42 N -0.11 3.17 -0.71 5.64 5.04 0.10 -4.71 117.35 125.78 4gsp s TYR 42 Ca 0.70 -1.55 0.24 0.00 -2.44 0.00 0.00 57.07 54.03 4gsp s TYR 42 Cb -0.72 -2.13 0.91 0.00 0.35 0.00 0.00 41.96 40.36 4gsp s TYR 42 CO 0.51 -0.73 1.74 0.09 -1.34 0.00 0.00 175.55 175.81 4gsp n ASN 43 N 4.70 0.56 -3.58 4.32 5.03 -1.26 -4.22 115.26 120.81 4gsp n ASN 43 Ca -0.15 0.59 -0.21 0.00 0.87 0.00 0.00 54.58 55.68 4gsp n ASN 43 Cb 0.46 -0.73 0.07 0.00 -1.02 0.00 0.00 39.78 38.56 4gsp n ASN 43 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 4gsp n ASN 44 N -2.06 -3.72 0.17 6.41 5.15 -1.26 -4.88 115.26 115.06 4gsp n ASN 44 Ca 0.04 -0.64 0.06 0.00 -0.60 0.00 0.00 54.58 53.44 4gsp n ASN 44 Cb 0.31 -4.81 0.53 0.00 -0.53 0.00 0.00 39.78 35.29 4gsp n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 4gsp h TYR 45 N -2.20 0.16 0.00 1.20 0.05 -2.00 -1.31 116.97 112.88 4gsp h TYR 45 Ca -0.59 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.17 4gsp h TYR 45 Cb 1.36 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 4gsp h TYR 45 CO 0.48 0.16 -0.11 0.93 -1.05 0.00 0.00 178.16 178.57 4gsp h GLU 46 N 0.17 0.00 -1.01 4.88 3.07 -1.94 -3.47 114.58 116.28 4gsp h GLU 46 Ca 0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 4gsp h GLU 46 Cb 0.08 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 4gsp h GLU 46 CO -0.00 0.11 -0.06 0.41 -1.40 0.00 0.00 179.01 178.07 4gsp n GLY 47 N -1.03 0.62 3.76 -3.84 0.00 -0.49 -5.02 105.19 99.19 4gsp n GLY 47 Ca -0.02 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 4gsp n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4gsp s PHE 48 N -2.68 2.54 -1.17 1.61 0.08 -1.26 -4.93 117.98 112.17 4gsp s PHE 48 Ca 0.03 1.46 -0.10 0.00 0.12 0.00 0.00 56.93 58.45 4gsp s PHE 48 Cb -0.02 -3.57 0.23 0.00 -0.57 0.00 0.00 43.02 39.09 4gsp s PHE 48 CO 0.04 -2.22 1.40 -3.47 -0.10 0.00 0.00 175.22 170.87 4gsp n ASP 49 N -0.91 5.51 -4.77 1.36 2.03 -1.26 -5.02 116.55 113.49 4gsp n ASP 49 Ca 0.10 -3.09 -0.37 0.00 0.52 0.00 0.00 54.79 51.94 4gsp n ASP 49 Cb 0.47 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.41 4gsp n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 4gsp s PHE 50 N -0.34 3.08 -0.77 -0.67 0.08 -1.26 -4.96 117.98 113.14 4gsp s PHE 50 Ca 0.36 1.58 0.26 0.00 0.12 0.00 0.00 56.93 59.25 4gsp s PHE 50 Cb -0.02 -3.30 0.81 0.00 -0.57 0.00 0.00 43.02 39.94 4gsp s PHE 50 CO -0.01 -1.15 1.74 0.43 -0.10 0.00 0.00 175.22 176.13 4gsp n SER 51 N -0.13 0.68 -4.68 1.36 7.64 -1.26 -4.87 113.62 112.35 4gsp n SER 51 Ca 0.05 0.50 -0.24 0.00 1.01 0.00 0.00 58.87 60.19 4gsp n SER 51 Cb 0.48 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 4gsp n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 4gsp s VAL 52 N -3.09 3.72 0.55 0.44 -7.23 -1.26 -5.12 120.40 108.41 4gsp s VAL 52 Ca 0.11 -1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 4gsp s VAL 52 Cb 0.13 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 4gsp s VAL 52 CO 0.60 -0.29 1.09 -0.44 -0.31 0.00 0.00 175.10 175.75 4gsp s SER 53 N -3.48 5.83 0.81 4.85 0.01 -1.26 -5.05 113.70 115.41 4gsp s SER 53 Ca 0.30 2.01 -0.12 0.00 1.31 0.00 0.00 55.95 59.46 4gsp s SER 53 Cb -0.08 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.69 4gsp s SER 53 CO 0.20 -1.14 1.17 -0.94 0.41 0.00 0.00 173.24 172.95 4gsp s SER 54 N -2.14 4.34 0.65 2.44 1.04 -1.26 -4.70 113.70 114.07 4gsp s SER 54 Ca 0.69 0.63 -0.15 0.00 0.48 0.00 0.00 55.95 57.60 4gsp s SER 54 Cb -0.20 -1.08 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 4gsp s SER 54 CO 0.29 -1.98 1.11 -2.16 0.98 0.00 0.00 173.24 171.47 4gsp s PRO 55 N -5.57 2.85 0.11 4.02 0.04 -1.26 -4.86 135.00 130.34 4gsp s PRO 55 Ca 0.64 1.38 0.07 0.00 0.04 0.00 0.00 61.00 63.12 4gsp s PRO 55 Cb -0.10 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 4gsp s PRO 55 CO 0.49 -1.21 -0.06 0.71 0.04 0.00 0.00 177.00 176.97 4gsp s TYR 56 N -2.34 2.83 -0.02 0.56 2.02 -1.26 -3.49 117.35 115.64 4gsp s TYR 56 Ca 0.67 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 57.28 4gsp s TYR 56 Cb -0.20 -1.45 -0.00 0.00 -0.40 0.00 0.00 41.96 39.91 4gsp s TYR 56 CO 0.41 0.46 -0.09 0.71 -1.57 0.00 0.00 175.55 175.47 4gsp s TYR 57 N -1.34 0.90 -0.03 2.71 2.02 0.25 -0.72 117.35 121.15 4gsp s TYR 57 Ca 0.24 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 4gsp s TYR 57 Cb -0.11 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 4gsp s TYR 57 CO 0.16 -0.05 0.08 -1.83 -1.57 0.00 0.00 175.55 172.34 4gsp s GLU 58 N -0.04 3.10 -0.08 -0.62 -1.05 -0.10 -1.65 118.70 118.26 4gsp s GLU 58 Ca 0.01 -0.43 -0.04 0.00 -0.15 0.00 0.00 54.97 54.35 4gsp s GLU 58 Cb -0.06 -2.89 0.04 0.00 -0.44 0.00 0.00 34.13 30.78 4gsp s GLU 58 CO -0.00 0.67 0.19 -0.46 0.95 0.00 0.00 175.26 176.61 4gsp s TRP 59 N -1.14 -0.23 0.34 4.83 -0.11 -0.47 -2.92 118.94 119.24 4gsp s TRP 59 Ca 0.21 0.58 -0.29 0.00 1.22 0.00 0.00 56.10 57.82 4gsp s TRP 59 Cb -0.12 -0.00 -0.10 0.00 -1.50 0.00 0.00 33.47 31.75 4gsp s TRP 59 CO 0.11 -0.17 1.33 -2.14 -4.62 0.00 0.00 176.95 171.46 4gsp s PRO 60 N 0.92 4.32 -0.12 5.86 0.02 -1.26 -0.14 135.00 144.59 4gsp s PRO 60 Ca -0.07 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.23 4gsp s PRO 60 Cb -0.08 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.38 4gsp s PRO 60 CO -0.05 -0.23 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.69 4gsp s ILE 61 N -1.14 2.45 -0.14 2.83 2.07 -0.95 -4.54 121.20 121.78 4gsp s ILE 61 Ca 0.49 -0.87 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 4gsp s ILE 61 Cb -0.40 -1.99 -0.04 0.00 0.13 0.00 0.00 42.46 40.16 4gsp s ILE 61 CO 0.54 0.54 0.08 -0.76 -1.91 0.00 0.00 174.94 173.43 4gsp s LEU 62 N 0.43 4.00 0.57 8.50 1.43 -1.26 -4.44 118.68 127.92 4gsp s LEU 62 Ca -0.14 0.25 0.38 0.00 -1.03 0.00 0.00 54.13 53.59 4gsp s LEU 62 Cb -0.17 -1.98 1.86 0.00 0.03 0.00 0.00 46.19 45.93 4gsp s LEU 62 CO 0.06 0.31 2.13 0.77 0.23 0.00 0.00 176.35 179.86 4gsp h SER 63 N 5.67 0.00 1.03 2.29 4.64 -1.96 -1.71 113.55 123.51 4gsp h SER 63 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 4gsp h SER 63 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 4gsp h SER 63 CO 0.62 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 4gsp h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.46 113.55 117.70 4gsp h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4gsp h SER 64 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 4gsp h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 4gsp n GLY 65 N 0.16 1.00 3.86 -0.77 0.00 -0.64 -5.05 105.19 103.74 4gsp n GLY 65 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 4gsp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4gsp s ASP 66 N -2.74 6.50 0.09 1.61 1.01 -1.26 -5.01 116.67 116.87 4gsp s ASP 66 Ca 0.00 1.39 -0.23 0.00 0.71 0.00 0.00 52.55 54.41 4gsp s ASP 66 Cb 0.00 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.43 4gsp s ASP 66 CO 0.00 -0.59 0.70 -0.69 0.21 0.00 0.00 175.17 174.80 4gsp s VAL 67 N -2.67 4.61 0.28 -1.27 1.01 -1.26 -4.23 120.40 116.87 4gsp s VAL 67 Ca 0.55 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 4gsp s VAL 67 Cb -0.10 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 4gsp s VAL 67 CO 0.36 0.47 1.54 0.00 0.00 0.00 0.00 175.10 177.48 4gsp n TYR 68 N 2.09 2.65 -1.57 5.22 9.36 -1.26 -4.90 117.16 128.74 4gsp n TYR 68 Ca -0.06 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.46 4gsp n TYR 68 Cb 0.50 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 4gsp n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 4gsp n SER 69 N 2.18 0.00 0.00 2.98 3.41 -1.26 -5.07 113.62 115.86 4gsp n SER 69 Ca 0.10 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 4gsp n SER 69 Cb 0.35 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 4gsp n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4gsp n GLY 70 N 0.00 3.12 6.49 5.00 0.00 -1.26 -4.67 105.19 113.87 4gsp n GLY 70 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 4gsp n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gsp n GLY 71 N -1.46 -1.58 3.69 -0.02 0.00 -1.26 -4.83 105.19 99.73 4gsp n GLY 71 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 4gsp n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4gsp s SER 72 N -4.00 6.44 0.00 1.61 0.15 -1.26 -4.84 113.70 111.80 4gsp s SER 72 Ca 0.00 2.73 0.29 0.00 0.70 0.00 0.00 55.95 59.67 4gsp s SER 72 Cb 0.00 -2.56 1.32 0.00 -1.71 0.00 0.00 66.02 63.07 4gsp s SER 72 CO 0.00 -1.00 1.91 -0.81 1.20 0.00 0.00 173.24 174.54 4gsp n PRO 73 N 5.93 0.77 0.00 5.44 -0.04 -1.26 -5.05 135.00 140.79 4gsp n PRO 73 Ca 0.18 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 4gsp n PRO 73 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 4gsp n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4gsp n GLY 74 N 1.24 -1.06 0.00 0.55 0.00 -1.26 -4.38 105.19 100.28 4gsp n GLY 74 Ca 0.16 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 45.06 4gsp n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gsp n ALA 75 N 1.39 4.44 -2.86 4.61 0.00 -1.26 -5.00 120.51 121.84 4gsp n ALA 75 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 4gsp n ALA 75 Cb 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 4gsp n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4gsp s ASP 76 N -2.79 6.08 0.01 0.00 1.01 -1.26 -1.07 116.67 118.64 4gsp s ASP 76 Ca 0.07 0.24 -0.04 0.00 0.71 0.00 0.00 52.55 53.54 4gsp s ASP 76 Cb 0.14 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 42.23 4gsp s ASP 76 CO 0.77 0.25 0.05 -0.13 0.21 0.00 0.00 175.17 176.32 4gsp s ARG 77 N -1.98 0.40 -0.12 8.23 1.81 0.00 -2.25 118.95 125.05 4gsp s ARG 77 Ca 0.27 -0.52 -0.03 0.00 -1.72 0.00 0.00 55.73 53.73 4gsp s ARG 77 Cb -0.12 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 4gsp s ARG 77 CO 0.19 -0.08 -0.01 0.08 -0.68 0.00 0.00 175.30 174.79 4gsp s VAL 78 N -1.48 4.15 -0.21 3.52 1.01 0.80 -1.29 120.40 126.91 4gsp s VAL 78 Ca -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 4gsp s VAL 78 Cb -0.09 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 4gsp s VAL 78 CO 0.00 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.88 4gsp s VAL 79 N -0.35 3.07 0.32 2.92 1.01 -0.19 -1.37 120.40 125.80 4gsp s VAL 79 Ca 0.06 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.51 4gsp s VAL 79 Cb -0.12 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 4gsp s VAL 79 CO 0.02 0.45 -0.02 0.72 0.00 0.00 0.00 175.10 176.28 4gsp s PHE 80 N 1.37 2.07 0.13 5.22 -0.12 -0.66 -0.04 117.98 125.96 4gsp s PHE 80 Ca 0.05 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 4gsp s PHE 80 Cb -0.14 -1.28 0.01 0.00 -0.63 0.00 0.00 43.02 40.97 4gsp s PHE 80 CO -0.05 0.25 0.07 0.27 -0.05 0.00 0.00 175.22 175.70 4gsp n ASN 81 N -0.69 1.69 0.04 1.98 0.23 -0.71 -0.58 115.26 117.22 4gsp n ASN 81 Ca -0.04 -1.47 0.14 0.00 -0.53 0.00 0.00 54.58 52.67 4gsp n ASN 81 Cb 0.65 0.02 0.61 0.00 -2.08 0.00 0.00 39.78 38.98 4gsp n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 4gsp h GLU 82 N 0.00 0.14 -0.48 -3.83 4.57 -1.84 -1.20 114.58 111.94 4gsp h GLU 82 Ca -0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 4gsp h GLU 82 Cb 0.30 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 4gsp h GLU 82 CO 0.14 0.09 0.00 0.09 -1.18 0.00 0.00 179.01 178.16 4gsp n ASN 83 N -4.45 2.56 -2.84 1.04 5.03 -1.26 -4.91 115.26 110.43 4gsp n ASN 83 Ca 0.06 -2.06 -0.19 0.00 0.87 0.00 0.00 54.58 53.26 4gsp n ASN 83 Cb 0.38 -0.33 0.05 0.00 -1.02 0.00 0.00 39.78 38.86 4gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 4gsp n ASN 84 N 0.78 -5.52 -4.72 6.41 5.15 -0.45 -5.00 115.26 111.91 4gsp n ASN 84 Ca 0.15 -0.36 -0.35 0.00 -0.60 0.00 0.00 54.58 53.42 4gsp n ASN 84 Cb 0.42 -4.22 -0.08 0.00 -0.53 0.00 0.00 39.78 35.38 4gsp n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 4gsp s GLN 85 N -5.85 3.90 -0.02 1.20 -0.21 -1.26 -4.88 119.66 112.55 4gsp s GLN 85 Ca 0.39 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.21 4gsp s GLN 85 Cb -0.17 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 4gsp s GLN 85 CO 0.48 0.41 1.44 -1.17 -2.12 0.00 0.00 175.29 174.33 4gsp s LEU 86 N 0.02 4.31 -0.11 2.90 2.96 -1.26 -1.74 118.68 125.76 4gsp s LEU 86 Ca 0.08 2.12 -0.04 0.00 -0.22 0.00 0.00 54.13 56.07 4gsp s LEU 86 Cb -0.12 -3.55 -0.26 0.00 0.50 0.00 0.00 46.19 42.76 4gsp s LEU 86 CO 0.00 -0.76 0.40 0.00 -1.32 0.00 0.00 176.35 174.67 4gsp n ALA 87 N 5.75 0.98 0.00 5.97 0.00 0.94 -4.85 120.51 129.31 4gsp n ALA 87 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.96 4gsp n ALA 87 Cb 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.19 4gsp n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4gsp n GLY 88 N 1.94 -0.50 3.14 0.00 0.00 -1.09 -4.68 105.19 104.00 4gsp n GLY 88 Ca -0.30 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 4gsp n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4gsp s VAL 89 N -2.00 1.93 0.26 1.61 1.01 -1.26 -1.02 120.40 120.92 4gsp s VAL 89 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.15 4gsp s VAL 89 Cb 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 4gsp s VAL 89 CO 0.00 0.52 -0.07 0.27 0.00 0.00 0.00 175.10 175.82 4gsp s ILE 90 N 0.87 1.59 0.03 2.22 -4.36 -0.41 -1.22 121.20 119.92 4gsp s ILE 90 Ca -0.06 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.08 4gsp s ILE 90 Cb -0.15 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.22 4gsp s ILE 90 CO -0.02 -0.37 0.23 0.28 0.24 0.00 0.00 174.94 175.30 4gsp s THR 91 N -3.05 0.09 -0.38 8.37 -1.32 -0.05 -0.82 115.64 118.49 4gsp s THR 91 Ca 0.28 -0.77 0.22 0.00 -1.21 0.00 0.00 61.69 60.21 4gsp s THR 91 Cb 0.03 -0.84 0.25 0.00 -1.51 0.00 0.00 72.50 70.43 4gsp s THR 91 CO 0.10 -0.42 1.49 0.45 -2.21 0.00 0.00 174.62 174.03 4gsp h HIS 92 N 3.52 0.00 -2.52 9.09 3.86 -1.31 -0.83 115.15 126.96 4gsp h HIS 92 Ca -0.32 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.36 4gsp h HIS 92 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 4gsp h HIS 92 CO 0.50 0.05 1.12 0.99 0.86 0.00 0.00 177.93 181.46 4gsp s THR 93 N -3.21 2.98 0.00 2.45 2.01 -1.26 -1.96 115.64 116.64 4gsp s THR 93 Ca 0.05 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.29 4gsp s THR 93 Cb 0.06 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.42 4gsp s THR 93 CO 0.70 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 4gsp n GLY 94 N 4.27 0.53 3.24 4.40 0.00 -1.26 -4.79 105.19 111.58 4gsp n GLY 94 Ca 0.18 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 4gsp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gsp s ALA 95 N -2.00 1.69 0.40 4.61 0.00 -0.83 -4.96 121.76 120.67 4gsp s ALA 95 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 4gsp s ALA 95 Cb 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 4gsp s ALA 95 CO 0.00 0.38 1.27 -1.12 0.00 0.00 0.00 175.76 176.29 4gsp s SER 96 N -1.09 6.36 0.84 0.00 0.01 -1.26 -4.72 113.70 113.84 4gsp s SER 96 Ca 0.07 2.58 0.00 0.00 1.31 0.00 0.00 55.95 59.91 4gsp s SER 96 Cb -0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.51 4gsp s SER 96 CO 0.01 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.47 4gsp n GLY 97 N 0.67 2.98 1.15 3.44 0.00 -1.26 -1.16 105.19 111.01 4gsp n GLY 97 Ca 0.04 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.39 4gsp n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4gsp n ASN 98 N 5.08 4.08 -4.74 1.61 3.02 -1.26 -5.01 115.26 118.04 4gsp n ASN 98 Ca 0.00 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 4gsp n ASN 98 Cb 0.00 -0.59 0.12 0.00 -0.61 0.00 0.00 39.78 38.70 4gsp n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 4gsp s ASN 99 N -1.77 3.86 0.20 6.41 0.01 -0.31 -5.03 114.94 118.30 4gsp s ASN 99 Ca 0.45 0.80 0.08 0.00 -0.71 0.00 0.00 52.86 53.48 4gsp s ASN 99 Cb 0.37 -1.27 -0.05 0.00 0.41 0.00 0.00 41.25 40.72 4gsp s ASN 99 CO 0.09 -2.32 -0.16 -0.36 -1.51 0.00 0.00 177.10 172.85 4gsp s PHE 100 N -3.47 1.79 0.06 2.20 0.08 -1.26 -4.41 117.98 112.96 4gsp s PHE 100 Ca 0.64 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.18 4gsp s PHE 100 Cb -0.12 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 4gsp s PHE 100 CO 0.51 0.38 -0.06 0.14 -0.10 0.00 0.00 175.22 176.10 4gsp s VAL 101 N -2.66 0.45 0.41 -0.44 -7.23 -0.32 -4.95 120.40 105.65 4gsp s VAL 101 Ca 0.21 -1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 58.68 4gsp s VAL 101 Cb -0.03 -1.08 -0.10 0.00 0.56 0.00 0.00 36.38 35.74 4gsp s VAL 101 CO 0.07 -0.69 1.00 -1.61 -0.31 0.00 0.00 175.10 173.57 4gsp s GLU 102 N -2.76 4.19 0.17 4.82 2.02 -1.26 -0.87 118.70 125.02 4gsp s GLU 102 Ca -0.01 1.36 -0.29 0.00 0.02 0.00 0.00 54.97 56.05 4gsp s GLU 102 Cb -0.01 -2.42 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 4gsp s GLU 102 CO -0.04 -0.09 0.92 0.00 0.02 0.00 0.00 175.26 176.07