#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 5.42 0.23 1.61 1.04 -1.26 -5.13 113.70 115.60 2cr5 s SER 2 Ca 0.00 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.26 2cr5 s SER 2 Cb 0.00 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.69 2cr5 s SER 2 CO 0.00 0.04 -0.00 -0.55 0.98 0.00 0.00 173.24 173.71 2cr5 s SER 3 N -3.29 1.79 -0.33 7.02 0.15 -1.26 -4.95 113.70 112.82 2cr5 s SER 3 Ca 0.31 -1.22 -0.30 0.00 0.70 0.00 0.00 55.95 55.45 2cr5 s SER 3 Cb -0.09 0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2cr5 s SER 3 CO 0.23 -0.52 0.50 0.61 1.20 0.00 0.00 173.24 175.26 2cr5 n GLY 4 N -0.41 0.15 0.13 9.45 0.00 -1.26 -4.89 105.19 108.36 2cr5 n GLY 4 Ca -0.05 0.87 -0.16 0.00 0.00 0.00 0.00 46.02 46.68 2cr5 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cr5 h SER 5 N 2.46 0.45 -3.16 1.61 4.64 -2.03 -3.43 113.55 114.09 2cr5 h SER 5 Ca -0.43 -0.72 -0.51 0.00 -0.47 0.00 0.00 61.79 59.66 2cr5 h SER 5 Cb 1.30 -0.14 -0.40 0.00 -0.31 0.00 0.00 62.40 62.86 2cr5 h SER 5 CO 0.17 1.11 -0.76 -0.44 -0.87 0.00 0.00 176.83 176.04 2cr5 s SER 6 N -6.57 2.99 0.13 4.97 0.01 -1.26 -4.97 113.70 109.00 2cr5 s SER 6 Ca -0.14 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2cr5 s SER 6 Cb 0.03 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2cr5 s SER 6 CO 0.80 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2cr5 n GLY 7 N 5.10 -1.83 3.76 3.44 0.00 -1.26 -5.14 105.19 109.25 2cr5 n GLY 7 Ca -0.07 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cr5 s GLU 8 N -1.26 2.93 0.04 1.61 2.12 -1.26 -4.98 118.70 117.89 2cr5 s GLU 8 Ca 0.00 1.72 -0.30 0.00 0.36 0.00 0.00 54.97 56.75 2cr5 s GLU 8 Cb 0.00 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 2cr5 s GLU 8 CO 0.00 -1.22 0.96 0.54 -0.54 0.00 0.00 175.26 175.00 2cr5 s VAL 9 N -1.77 4.73 1.02 3.70 0.11 -1.26 -5.05 120.40 121.88 2cr5 s VAL 9 Ca 0.75 2.03 -0.13 0.00 -2.93 0.00 0.00 61.98 61.70 2cr5 s VAL 9 Cb -0.28 -4.31 0.20 0.00 -1.53 0.00 0.00 36.38 30.47 2cr5 s VAL 9 CO 0.34 0.23 1.09 -2.16 -3.33 0.00 0.00 175.10 171.28 2cr5 s PRO 10 N 0.57 0.23 0.18 1.54 0.04 -1.26 -5.07 135.00 131.23 2cr5 s PRO 10 Ca 0.49 0.45 0.09 0.00 0.04 0.00 0.00 61.00 62.06 2cr5 s PRO 10 Cb -0.22 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2cr5 s PRO 10 CO 0.28 -2.85 -0.08 0.16 0.04 0.00 0.00 177.00 174.55 2cr5 s ASP 11 N -3.48 4.34 0.10 6.66 -4.77 -1.26 -5.04 116.67 113.21 2cr5 s ASP 11 Ca 0.66 -0.55 0.03 0.00 -3.30 0.00 0.00 52.55 49.39 2cr5 s ASP 11 Cb -0.18 -0.77 -0.04 0.00 -1.09 0.00 0.00 42.92 40.84 2cr5 s ASP 11 CO 0.58 0.10 0.11 -0.76 0.70 0.00 0.00 175.17 175.89 2cr5 s LEU 12 N -2.87 3.86 0.14 2.11 1.43 -1.26 -5.08 118.68 117.01 2cr5 s LEU 12 Ca 0.25 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 2cr5 s LEU 12 Cb -0.09 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 2cr5 s LEU 12 CO 0.16 0.14 1.34 -2.16 0.23 0.00 0.00 176.35 176.07 2cr5 s PRO 13 N -2.59 4.35 -0.11 1.29 0.04 -1.26 -4.91 135.00 131.81 2cr5 s PRO 13 Ca 0.30 2.04 -0.40 0.00 0.04 0.00 0.00 61.00 62.98 2cr5 s PRO 13 Cb -0.12 -3.24 -0.18 0.00 0.04 0.00 0.00 34.50 31.01 2cr5 s PRO 13 CO 0.23 -0.35 1.43 0.39 0.04 0.00 0.00 177.00 178.74 2cr5 n GLU 14 N 3.47 0.77 -1.58 4.56 4.71 -1.26 -4.80 120.64 126.50 2cr5 n GLU 14 Ca 0.09 0.28 -0.46 0.00 -0.01 0.00 0.00 57.16 57.07 2cr5 n GLU 14 Cb 0.43 -1.89 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 2cr5 n GLU 14 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2cr5 n GLU 15 N 3.30 1.27 -2.15 3.49 1.02 -1.26 -4.92 120.64 121.39 2cr5 n GLU 15 Ca 0.23 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.47 2cr5 n GLU 15 Cb 0.12 -1.83 0.01 0.00 -0.02 0.00 0.00 31.44 29.72 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2cr5 s PRO 16 N -1.26 3.24 0.70 3.49 0.04 -1.26 -4.99 135.00 134.95 2cr5 s PRO 16 Ca 0.62 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 2cr5 s PRO 16 Cb -0.74 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 31.82 2cr5 s PRO 16 CO 0.58 -0.93 1.27 0.45 0.04 0.00 0.00 177.00 178.41 2cr5 s SER 17 N -1.95 4.27 0.26 6.66 0.15 -1.26 -4.91 113.70 116.92 2cr5 s SER 17 Ca 0.71 2.55 -0.04 0.00 0.70 0.00 0.00 55.95 59.88 2cr5 s SER 17 Cb -0.23 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.78 2cr5 s SER 17 CO 0.30 -2.22 1.87 1.05 1.20 0.00 0.00 173.24 175.44 2cr5 h GLU 18 N 0.10 1.11 0.00 5.44 4.11 -2.02 -2.12 114.58 121.20 2cr5 h GLU 18 Ca -0.50 -0.14 -0.05 0.00 0.07 0.00 0.00 59.36 58.75 2cr5 h GLU 18 Cb 1.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2cr5 h GLU 18 CO 0.51 0.83 -0.23 1.79 0.07 0.00 0.00 179.01 181.98 2cr5 h THR 19 N 1.11 0.41 -0.95 -1.06 1.35 -2.01 -3.46 112.91 108.30 2cr5 h THR 19 Ca 0.28 -1.53 -0.78 0.00 -0.55 0.00 0.00 66.41 63.82 2cr5 h THR 19 Cb 0.07 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2cr5 h THR 19 CO -0.04 0.23 1.00 0.00 -0.25 0.00 0.00 175.52 176.46 2cr5 n ALA 20 N -2.16 -0.30 -1.03 6.62 0.00 -0.80 -4.89 120.51 117.95 2cr5 n ALA 20 Ca 0.03 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 2cr5 n ALA 20 Cb 0.61 -2.14 0.12 0.00 0.00 0.00 0.00 19.45 18.05 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr5 s GLU 21 N 4.30 1.69 -1.30 0.00 -1.05 -1.26 -3.71 118.70 117.37 2cr5 s GLU 21 Ca 1.07 1.30 -0.04 0.00 -0.15 0.00 0.00 54.97 57.14 2cr5 s GLU 21 Cb -1.28 -1.82 0.01 0.00 -0.44 0.00 0.00 34.13 30.60 2cr5 s GLU 21 CO 0.69 -2.08 1.04 0.39 0.95 0.00 0.00 175.26 176.25 2cr5 n GLU 22 N -3.83 -6.87 -4.16 -4.83 1.02 -1.26 -4.99 120.64 95.71 2cr5 n GLU 22 Ca 0.10 0.80 -0.23 0.00 -0.02 0.00 0.00 57.16 57.81 2cr5 n GLU 22 Cb 0.53 -5.77 -0.17 0.00 -0.02 0.00 0.00 31.44 26.01 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cr5 s VAL 23 N -3.37 0.78 0.26 2.62 1.01 -1.24 -2.96 120.40 117.49 2cr5 s VAL 23 Ca 0.27 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.13 2cr5 s VAL 23 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2cr5 s VAL 23 CO 0.75 0.30 -0.01 0.68 0.00 0.00 0.00 175.10 176.82 2cr5 s VAL 24 N 1.18 3.46 -0.23 2.92 -7.23 -0.46 -4.91 120.40 115.12 2cr5 s VAL 24 Ca -0.06 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 2cr5 s VAL 24 Cb -0.14 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2cr5 s VAL 24 CO -0.02 -0.35 0.14 -0.89 -0.31 0.00 0.00 175.10 173.67 2cr5 s THR 25 N -2.27 5.21 -0.32 5.32 2.01 -1.26 0.15 115.64 124.47 2cr5 s THR 25 Ca 0.31 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.47 2cr5 s THR 25 Cb -0.07 -3.42 0.09 0.00 0.01 0.00 0.00 72.50 69.11 2cr5 s THR 25 CO 0.20 0.36 0.00 -0.69 -0.69 0.00 0.00 174.62 173.80 2cr5 s VAL 26 N 1.03 2.27 -0.02 3.82 1.01 0.39 -2.16 120.40 126.73 2cr5 s VAL 26 Ca 0.07 -2.11 -0.20 0.00 0.00 0.00 0.00 61.98 59.73 2cr5 s VAL 26 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 2cr5 s VAL 26 CO 0.04 -0.42 0.58 0.00 0.00 0.00 0.00 175.10 175.30 2cr5 s ALA 27 N 0.97 3.49 -0.25 5.51 0.00 -1.21 -3.37 121.76 126.90 2cr5 s ALA 27 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2cr5 s ALA 27 Cb -0.19 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2cr5 s ALA 27 CO -0.07 0.15 0.04 -0.51 0.00 0.00 0.00 175.76 175.37 2cr5 s LEU 28 N -0.09 3.36 -0.36 0.00 1.43 0.21 -0.87 118.68 122.36 2cr5 s LEU 28 Ca 0.30 -0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 2cr5 s LEU 28 Cb -0.18 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2cr5 s LEU 28 CO 0.16 -0.05 0.66 -0.13 0.23 0.00 0.00 176.35 177.22 2cr5 s ARG 29 N 1.57 3.67 0.50 1.70 0.52 -0.72 -1.29 118.95 124.89 2cr5 s ARG 29 Ca 0.06 0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 2cr5 s ARG 29 Cb -0.15 -3.82 -0.08 0.00 0.52 0.00 0.00 34.95 31.42 2cr5 s ARG 29 CO 0.02 -0.77 0.98 0.00 0.02 0.00 0.00 175.30 175.54 2cr5 n PRO 31 N -1.43 0.41 0.01 0.00 -0.04 -1.25 -2.21 135.00 130.48 2cr5 n PRO 31 Ca 0.07 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2cr5 n PRO 31 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cr5 n ASN 32 N -1.08 0.69 0.00 3.54 3.02 -1.26 -4.99 115.26 115.18 2cr5 n ASN 32 Ca 0.10 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2cr5 n ASN 32 Cb 0.07 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr5 n GLY 33 N 1.43 0.97 3.85 7.41 0.00 -0.94 -5.12 105.19 112.79 2cr5 n GLY 33 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 3.94 -0.07 1.61 1.81 -1.26 -4.82 118.95 120.16 2cr5 s ARG 34 Ca 0.00 0.87 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 2cr5 s ARG 34 Cb 0.00 -2.20 0.02 0.00 -0.45 0.00 0.00 34.95 32.32 2cr5 s ARG 34 CO 0.00 -0.19 -0.05 0.54 -0.68 0.00 0.00 175.30 174.92 2cr5 s VAL 35 N -2.52 0.67 -0.12 3.52 0.11 -1.26 -0.89 120.40 119.91 2cr5 s VAL 35 Ca 0.57 -0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 2cr5 s VAL 35 Cb -0.10 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2cr5 s VAL 35 CO 0.29 0.28 0.42 -0.76 -3.33 0.00 0.00 175.10 172.00 2cr5 s LEU 36 N 1.27 4.29 -0.09 2.54 1.43 -0.41 -4.88 118.68 122.83 2cr5 s LEU 36 Ca -0.05 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 2cr5 s LEU 36 Cb -0.14 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2cr5 s LEU 36 CO -0.02 0.07 0.07 -0.13 0.23 0.00 0.00 176.35 176.56 2cr5 s ARG 37 N 0.39 3.18 0.09 1.70 0.52 -1.26 -0.62 118.95 122.95 2cr5 s ARG 37 Ca 0.23 -0.30 -0.25 0.00 -0.52 0.00 0.00 55.73 54.89 2cr5 s ARG 37 Cb -0.15 -2.96 0.07 0.00 0.52 0.00 0.00 34.95 32.42 2cr5 s ARG 37 CO 0.09 0.73 0.60 0.50 0.02 0.00 0.00 175.30 177.24 2cr5 s ARG 38 N -1.05 1.19 0.29 3.54 3.52 -1.22 -5.01 118.95 120.22 2cr5 s ARG 38 Ca 0.15 -0.26 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 2cr5 s ARG 38 Cb -0.12 0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 2cr5 s ARG 38 CO 0.04 -0.47 0.50 1.03 -0.81 0.00 0.00 175.30 175.59 2cr5 s ARG 39 N -2.93 3.52 -0.26 5.12 0.52 -1.26 -0.46 118.95 123.20 2cr5 s ARG 39 Ca -0.03 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.78 2cr5 s ARG 39 Cb -0.01 -2.71 0.09 0.00 0.52 0.00 0.00 34.95 32.84 2cr5 s ARG 39 CO -0.06 0.24 0.60 -0.06 0.02 0.00 0.00 175.30 176.04 2cr5 s PHE 40 N -2.14 -1.05 1.31 -0.53 0.08 0.12 -4.71 117.98 111.07 2cr5 s PHE 40 Ca 0.40 1.99 -0.18 0.00 0.12 0.00 0.00 56.93 59.26 2cr5 s PHE 40 Cb -0.10 0.59 0.33 0.00 -0.57 0.00 0.00 43.02 43.27 2cr5 s PHE 40 CO 0.33 -0.54 0.90 1.19 -0.10 0.00 0.00 175.22 177.00 2cr5 n PHE 41 N 4.77 -2.39 0.88 0.36 3.72 -1.26 -1.36 117.46 122.17 2cr5 n PHE 41 Ca -0.17 -0.43 0.11 0.00 -0.05 0.00 0.00 57.45 56.92 2cr5 n PHE 41 Cb 0.54 -1.53 0.07 0.00 -0.94 0.00 0.00 39.48 37.62 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -5.16 0.08 0.03 -1.08 5.02 -1.16 -4.06 118.16 111.83 2cr5 n LYS 42 Ca 0.07 -0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 2cr5 n LYS 42 Cb 0.56 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 0.00 0.00 -3.03 4.39 0.87 -1.92 -3.28 113.55 110.59 2cr5 h SER 43 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2cr5 h SER 43 Cb 0.56 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.60 2cr5 h SER 43 CO 0.00 0.96 0.95 0.79 -0.53 0.00 0.00 176.83 179.00 2cr5 n TRP 44 N -3.19 2.84 -2.91 2.24 8.01 -1.26 -4.70 117.44 118.47 2cr5 n TRP 44 Ca -0.08 0.16 -0.40 0.00 -1.31 0.00 0.00 57.50 55.87 2cr5 n TRP 44 Cb 0.98 -2.64 -0.06 0.00 -2.01 0.00 0.00 31.31 27.58 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N 0.79 7.44 0.34 -0.99 3.84 -1.26 -2.72 114.94 122.38 2cr5 s ASN 45 Ca 0.69 1.71 0.27 0.00 0.21 0.00 0.00 52.86 55.74 2cr5 s ASN 45 Cb -0.49 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 38.79 2cr5 s ASN 45 CO 0.41 0.16 1.11 -1.54 -2.79 0.00 0.00 177.10 174.46 2cr5 n SER 46 N 1.75 0.11 -0.31 -4.21 3.41 -1.26 0.46 113.62 113.56 2cr5 n SER 46 Ca -0.04 0.91 0.03 0.00 -0.26 0.00 0.00 58.87 59.51 2cr5 n SER 46 Cb 0.48 -0.45 0.11 0.00 -0.26 0.00 0.00 64.21 64.09 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.00 -1.08 4.33 1.08 -1.91 0.84 115.11 118.37 2cr5 h GLN 47 Ca 0.64 0.00 0.29 0.00 -1.45 0.00 0.00 58.65 58.13 2cr5 h GLN 47 Cb 2.21 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 29.55 2cr5 h GLN 47 CO -0.24 -0.00 0.70 -0.24 -0.95 0.00 0.00 178.83 178.10 2cr5 h VAL 48 N -0.01 0.46 0.24 -0.54 3.04 -0.37 -0.77 116.25 118.32 2cr5 h VAL 48 Ca 0.41 -0.11 0.01 0.00 -1.01 0.00 0.00 66.70 65.99 2cr5 h VAL 48 Cb 0.63 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 2cr5 h VAL 48 CO -0.90 0.06 -0.33 -0.07 -1.01 0.00 0.00 177.57 175.33 2cr5 h LEU 49 N 0.33 -0.90 -1.90 3.16 3.38 0.56 -0.95 115.31 119.00 2cr5 h LEU 49 Ca 0.63 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.93 2cr5 h LEU 49 Cb 1.68 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 42.71 2cr5 h LEU 49 CO -0.31 -0.44 0.63 -0.07 0.09 0.00 0.00 178.44 178.35 2cr5 h LEU 50 N -0.63 0.08 -0.15 1.67 3.38 -1.15 0.23 115.31 118.74 2cr5 h LEU 50 Ca 0.00 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 2cr5 h LEU 50 Cb 0.60 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2cr5 h LEU 50 CO -0.11 0.03 -0.75 0.44 0.09 0.00 0.00 178.44 178.13 2cr5 h ASP 51 N 0.08 0.93 0.66 -0.43 5.19 -1.09 -2.50 116.42 119.25 2cr5 h ASP 51 Ca 0.44 -0.63 -0.13 0.00 -0.62 0.00 0.00 57.03 56.09 2cr5 h ASP 51 Cb 1.61 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 2cr5 h ASP 51 CO -0.04 1.40 -0.61 -0.25 -3.12 0.00 0.00 179.24 176.62 2cr5 h TRP 52 N 0.51 0.00 -0.04 4.55 7.01 0.52 -2.76 115.95 125.74 2cr5 h TRP 52 Ca -0.05 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.78 2cr5 h TRP 52 Cb 1.38 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.43 2cr5 h TRP 52 CO 0.09 0.61 -0.71 1.98 -2.79 0.00 0.00 178.44 177.63 2cr5 h MET 53 N 0.00 0.22 0.00 2.65 4.05 -0.80 -2.81 114.93 118.24 2cr5 h MET 53 Ca -0.01 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.13 2cr5 h MET 53 Cb 1.10 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2cr5 h MET 53 CO 0.08 0.84 -0.46 0.52 0.23 0.00 0.00 176.91 178.11 2cr5 h MET 54 N 0.15 0.00 -0.05 0.39 2.86 -0.92 -1.37 114.93 116.00 2cr5 h MET 54 Ca -0.02 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.37 2cr5 h MET 54 Cb 1.26 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.93 2cr5 h MET 54 CO 0.11 0.46 -0.94 0.87 1.06 0.00 0.00 176.91 178.47 2cr5 h LYS 55 N 0.00 0.69 0.00 1.72 1.79 -1.39 -3.18 116.57 116.20 2cr5 h LYS 55 Ca -0.00 -0.67 -0.05 0.00 -2.18 0.00 0.00 60.65 57.75 2cr5 h LYS 55 Cb 1.12 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 2cr5 h LYS 55 CO 0.06 1.27 -0.23 -0.39 -1.08 0.00 0.00 179.45 179.07 2cr5 h VAL 56 N 0.42 1.02 0.00 0.50 -1.51 -1.50 -3.46 116.25 111.73 2cr5 h VAL 56 Ca -0.10 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2cr5 h VAL 56 Cb 1.58 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2cr5 h VAL 56 CO 0.18 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 2cr5 n GLY 57 N -0.71 0.84 3.44 5.19 0.00 -1.18 -5.13 105.19 107.64 2cr5 n GLY 57 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.63 -1.00 0.74 1.61 2.02 -0.52 -5.02 117.35 113.54 2cr5 s TYR 58 Ca 0.00 1.85 -0.12 0.00 -0.37 0.00 0.00 57.07 58.43 2cr5 s TYR 58 Cb 0.00 0.51 0.03 0.00 -0.40 0.00 0.00 41.96 42.10 2cr5 s TYR 58 CO 0.00 -0.54 1.11 -1.58 -1.57 0.00 0.00 175.55 172.97 2cr5 s HIS 59 N 2.50 3.17 -0.05 2.71 2.46 -1.26 -1.94 115.29 122.89 2cr5 s HIS 59 Ca -0.05 1.03 -0.17 0.00 0.47 0.00 0.00 55.06 56.34 2cr5 s HIS 59 Cb -0.11 -3.14 -0.31 0.00 -0.13 0.00 0.00 32.58 28.89 2cr5 s HIS 59 CO -0.16 -1.38 0.78 1.57 -2.47 0.00 0.00 174.74 173.08 2cr5 h LYS 60 N -0.80 0.35 0.00 2.88 2.10 -1.86 -2.45 116.57 116.79 2cr5 h LYS 60 Ca -0.46 -0.59 -0.01 0.00 -2.00 0.00 0.00 60.65 57.59 2cr5 h LYS 60 Cb 1.27 0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2cr5 h LYS 60 CO 0.63 1.28 -0.04 1.03 -2.00 0.00 0.00 179.45 180.36 2cr5 h SER 61 N -0.18 0.00 0.00 7.07 0.87 -2.00 -3.23 113.55 116.09 2cr5 h SER 61 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2cr5 h SER 61 Cb 1.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2cr5 h SER 61 CO 0.15 0.04 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.25 2cr5 h LEU 62 N 0.00 0.00-10.03 2.23 4.07 -1.97 -3.47 115.31 106.14 2cr5 h LEU 62 Ca -0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 2cr5 h LEU 62 Cb 0.08 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2cr5 h LEU 62 CO 0.00 0.37 -0.44 -0.31 -1.08 0.00 0.00 178.44 176.98 2cr5 s TYR 63 N -1.55 3.49 0.43 1.13 1.51 -0.92 -1.36 117.35 120.08 2cr5 s TYR 63 Ca -0.05 0.18 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 2cr5 s TYR 63 Cb 0.01 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2cr5 s TYR 63 CO 0.07 0.50 0.03 -0.98 -1.11 0.00 0.00 175.55 174.06 2cr5 s ARG 64 N -3.17 2.04 -0.14 -0.62 1.70 -0.46 -4.29 118.95 114.02 2cr5 s ARG 64 Ca 0.35 -2.14 -0.01 0.00 -0.47 0.00 0.00 55.73 53.47 2cr5 s ARG 64 Cb -0.11 -1.66 -0.01 0.00 -0.57 0.00 0.00 34.95 32.59 2cr5 s ARG 64 CO 0.28 -0.13 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.75 2cr5 s LEU 65 N -3.78 2.75 0.26 -1.89 1.43 -1.26 -2.98 118.68 113.20 2cr5 s LEU 65 Ca 0.30 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2cr5 s LEU 65 Cb 0.07 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2cr5 s LEU 65 CO 0.16 0.14 -0.03 -0.55 0.23 0.00 0.00 176.35 176.30 2cr5 s SER 66 N 0.49 2.27 0.55 2.29 0.15 -1.06 -1.33 113.70 117.06 2cr5 s SER 66 Ca -0.09 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.30 2cr5 s SER 66 Cb -0.16 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2cr5 s SER 66 CO 0.04 -0.44 0.86 0.42 1.20 0.00 0.00 173.24 175.32 2cr5 s THR 67 N -3.23 4.00 -0.08 6.45 -4.23 -1.17 -1.71 115.64 115.67 2cr5 s THR 67 Ca 0.29 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 2cr5 s THR 67 Cb 0.05 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 2cr5 s THR 67 CO 0.10 -0.56 0.17 -1.28 -0.54 0.00 0.00 174.62 172.50 2cr5 h SER 68 N -0.04 -0.12 -2.80 3.99 0.87 -1.94 -3.40 113.55 110.12 2cr5 h SER 68 Ca -0.46 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.92 2cr5 h SER 68 Cb 1.24 0.03 -0.31 0.00 -0.44 0.00 0.00 62.40 62.92 2cr5 h SER 68 CO 0.61 0.35 -0.49 0.12 -0.53 0.00 0.00 176.83 176.88 2cr5 s PHE 69 N -2.00 -0.51 0.00 2.24 5.36 -1.26 -4.07 117.98 117.74 2cr5 s PHE 69 Ca -0.02 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2cr5 s PHE 69 Cb 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 2cr5 s PHE 69 CO 0.06 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 173.09 2cr5 n PRO 70 N 5.33 -0.99 -3.87 10.12 -0.04 -1.26 -5.12 135.00 139.16 2cr5 n PRO 70 Ca -0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 2cr5 n PRO 70 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 2cr5 n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cr5 s ARG 71 N -2.94 3.34 -0.27 0.54 3.52 -1.26 -4.55 118.95 117.33 2cr5 s ARG 71 Ca 0.00 -0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.70 2cr5 s ARG 71 Cb 0.00 -3.09 0.07 0.00 -1.56 0.00 0.00 34.95 30.37 2cr5 s ARG 71 CO 0.00 -0.24 0.73 0.50 -0.81 0.00 0.00 175.30 175.48 2cr5 s ARG 72 N 1.49 0.82 -0.11 5.12 6.06 -1.26 -4.99 118.95 126.07 2cr5 s ARG 72 Ca 0.05 0.99 -0.29 0.00 -2.50 0.00 0.00 55.73 53.98 2cr5 s ARG 72 Cb -0.15 0.39 -0.06 0.00 0.06 0.00 0.00 34.95 35.20 2cr5 s ARG 72 CO -0.02 -0.10 1.84 0.00 -2.50 0.00 0.00 175.30 174.52 2cr5 s ALA 73 N 0.44 3.33 0.33 6.12 0.00 -1.26 -3.05 121.76 127.67 2cr5 s ALA 73 Ca -0.00 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 2cr5 s ALA 73 Cb -0.05 -3.87 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 2cr5 s ALA 73 CO -0.00 -1.88 0.84 -0.51 0.00 0.00 0.00 175.76 174.21 2cr5 s LEU 74 N 5.32 4.15 -0.50 0.00 1.43 -0.44 -5.01 118.68 123.63 2cr5 s LEU 74 Ca 0.82 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 55.51 2cr5 s LEU 74 Cb -0.33 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 41.93 2cr5 s LEU 74 CO 0.34 -0.16 0.24 -1.83 0.23 0.00 0.00 176.35 175.17 2cr5 s GLU 75 N -2.60 1.95 0.00 1.70 -1.05 -1.26 -4.61 118.70 112.83 2cr5 s GLU 75 Ca 0.53 -2.53 -0.37 0.00 -0.15 0.00 0.00 54.97 52.45 2cr5 s GLU 75 Cb -0.13 -3.33 -0.18 0.00 -0.44 0.00 0.00 34.13 30.04 2cr5 s GLU 75 CO 0.18 -1.09 0.98 1.33 0.95 0.00 0.00 175.26 177.61 2cr5 n VAL 76 N 3.27 0.04 -4.13 1.83 0.24 -1.26 -4.92 118.33 113.40 2cr5 n VAL 76 Ca 0.05 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 2cr5 n VAL 76 Cb 0.34 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.62 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2cr5 s GLU 77 N -0.02 3.48 0.08 7.34 2.12 -1.26 -5.01 118.70 125.43 2cr5 s GLU 77 Ca 0.84 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 55.77 2cr5 s GLU 77 Cb -1.17 -3.04 -0.27 0.00 0.26 0.00 0.00 34.13 29.91 2cr5 s GLU 77 CO 0.53 0.54 1.14 0.78 -0.54 0.00 0.00 175.26 177.71 2cr5 h GLY 78 N 5.75 0.40 0.26 -1.50 0.00 -2.00 -3.38 103.07 102.60 2cr5 h GLY 78 Ca -0.46 -0.95 -0.18 0.00 0.00 0.00 0.00 47.33 45.74 2cr5 h GLY 78 CO 0.62 0.84 -0.94 -1.33 0.00 0.00 0.00 176.54 175.72 2cr5 h GLY 79 N 1.26 0.13 -4.63 4.60 0.00 -2.02 -3.46 103.07 98.95 2cr5 h GLY 79 Ca -0.15 -0.33 -0.54 0.00 0.00 0.00 0.00 47.33 46.31 2cr5 h GLY 79 CO 0.21 0.29 0.64 -0.56 0.00 0.00 0.00 176.54 177.12 2cr5 s SER 80 N -6.76 7.03 1.09 0.19 0.01 -1.26 -5.03 113.70 108.99 2cr5 s SER 80 Ca -0.22 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 58.88 2cr5 s SER 80 Cb 0.03 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.87 2cr5 s SER 80 CO 0.70 -0.54 0.85 -1.54 0.41 0.00 0.00 173.24 173.12 2cr5 n SER 81 N 4.53 -0.92 -0.25 2.44 3.41 -1.26 -4.51 113.62 117.05 2cr5 n SER 81 Ca 0.10 -1.14 -0.03 0.00 -0.26 0.00 0.00 58.87 57.55 2cr5 n SER 81 Cb 0.46 -0.71 0.09 0.00 -0.26 0.00 0.00 64.21 63.79 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 0.70 -0.76 1.04 3.38 -1.63 -0.15 115.31 117.89 2cr5 h LEU 82 Ca -0.30 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 2cr5 h LEU 82 Cb 0.86 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2cr5 h LEU 82 CO 0.20 0.48 -0.57 -0.08 0.09 0.00 0.00 178.44 178.56 2cr5 h GLU 83 N 0.84 0.00 -0.34 1.13 4.81 -1.73 0.39 114.58 119.68 2cr5 h GLU 83 Ca 0.30 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.36 2cr5 h GLU 83 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2cr5 h GLU 83 CO -0.13 0.57 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.83 2cr5 h ASP 84 N 0.00 0.98 1.13 1.04 5.19 -1.63 -3.06 116.42 120.08 2cr5 h ASP 84 Ca -0.01 -0.49 -0.08 0.00 -0.62 0.00 0.00 57.03 55.83 2cr5 h ASP 84 Cb 1.08 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 2cr5 h ASP 84 CO 0.07 1.28 -0.38 0.16 -3.12 0.00 0.00 179.24 177.25 2cr5 h ILE 85 N 0.71 0.78 0.00 0.35 3.07 -1.02 -3.47 117.51 117.93 2cr5 h ILE 85 Ca 0.04 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.77 2cr5 h ILE 85 Cb 1.05 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 2cr5 h ILE 85 CO 0.11 0.37 0.00 0.61 -1.05 0.00 0.00 178.15 178.19 2cr5 n GLY 86 N 0.60 0.77 2.42 0.16 0.00 -0.91 -5.09 105.19 103.15 2cr5 n GLY 86 Ca 0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.84 -0.08 -0.61 2.08 0.13 -4.86 119.36 116.86 2cr5 n ILE 87 Ca 0.00 -4.82 -0.11 0.00 0.56 0.00 0.00 62.75 58.38 2cr5 n ILE 87 Cb 0.00 -0.57 -0.15 0.00 -0.75 0.00 0.00 39.64 38.17 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.11 1.46 -4.31 1.39 -2.24 -1.26 -4.20 114.28 105.23 2cr5 n THR 88 Ca 0.26 -0.80 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 2cr5 n THR 88 Cb 0.59 -0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -2.52 3.21 -0.45 2.28 -7.23 -1.26 -4.82 120.40 109.60 2cr5 s VAL 89 Ca -0.12 -1.83 -0.35 0.00 -1.81 0.00 0.00 61.98 57.86 2cr5 s VAL 89 Cb 0.07 -2.65 -0.16 0.00 0.56 0.00 0.00 36.38 34.20 2cr5 s VAL 89 CO 0.80 -0.24 1.81 -0.90 -0.31 0.00 0.00 175.10 176.26 2cr5 n ASP 90 N -0.38 0.58 -4.52 4.85 5.75 -1.26 -4.83 116.55 116.74 2cr5 n ASP 90 Ca -0.09 0.52 -0.26 0.00 -0.01 0.00 0.00 54.79 54.95 2cr5 n ASP 90 Cb 0.57 -0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 5.18 2.90 -0.07 2.12 2.01 -0.92 -4.97 115.64 121.90 2cr5 s THR 91 Ca 1.00 -1.85 0.03 0.00 0.31 0.00 0.00 61.69 61.18 2cr5 s THR 91 Cb -1.21 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2cr5 s THR 91 CO 0.53 -0.15 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.45 2cr5 s VAL 92 N -1.80 1.44 0.19 3.82 1.01 -1.26 -3.35 120.40 120.45 2cr5 s VAL 92 Ca 0.24 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.64 2cr5 s VAL 92 Cb -0.08 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2cr5 s VAL 92 CO 0.14 0.42 -0.08 -0.76 0.00 0.00 0.00 175.10 174.82 2cr5 s LEU 93 N 0.47 3.03 0.05 3.92 1.43 -0.05 -3.30 118.68 124.23 2cr5 s LEU 93 Ca -0.14 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2cr5 s LEU 93 Cb -0.16 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2cr5 s LEU 93 CO 0.05 0.09 -0.23 0.20 0.23 0.00 0.00 176.35 176.70 2cr5 s ASN 94 N -2.90 2.71 -0.47 2.29 0.01 -0.70 -1.75 114.94 114.13 2cr5 s ASN 94 Ca 0.26 -0.56 -0.12 0.00 -0.71 0.00 0.00 52.86 51.73 2cr5 s ASN 94 Cb -0.09 -0.22 0.10 0.00 0.41 0.00 0.00 41.25 41.45 2cr5 s ASN 94 CO 0.16 0.18 0.36 -0.69 -1.51 0.00 0.00 177.10 175.61 2cr5 s VAL 95 N -0.84 4.60 0.10 1.60 1.01 0.23 -2.56 120.40 124.54 2cr5 s VAL 95 Ca 0.09 -1.50 0.09 0.00 0.00 0.00 0.00 61.98 60.65 2cr5 s VAL 95 Cb -0.09 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2cr5 s VAL 95 CO 0.02 -0.69 -0.20 -1.61 0.00 0.00 0.00 175.10 172.62 2cr5 s GLU 96 N 1.48 1.79 0.28 2.72 0.41 -1.16 -3.96 118.70 120.26 2cr5 s GLU 96 Ca 0.04 -1.16 -0.30 0.00 -0.41 0.00 0.00 54.97 53.15 2cr5 s GLU 96 Cb -0.26 -2.08 -0.10 0.00 -1.78 0.00 0.00 34.13 29.90 2cr5 s GLU 96 CO 0.02 0.49 1.44 -1.21 -0.49 0.00 0.00 175.26 175.51 2cr5 s GLU 97 N -1.89 4.25 0.67 1.61 2.02 -1.26 -1.35 118.70 122.74 2cr5 s GLU 97 Ca 0.16 2.35 -0.11 0.00 0.02 0.00 0.00 54.97 57.38 2cr5 s GLU 97 Cb -0.10 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 2cr5 s GLU 97 CO 0.08 -0.42 1.06 0.15 0.02 0.00 0.00 175.26 176.15 2cr5 s LYS 98 N -0.79 3.19 -0.20 1.61 1.02 -0.46 -4.83 119.74 119.28 2cr5 s LYS 98 Ca 0.57 0.72 -0.16 0.00 0.02 0.00 0.00 55.97 57.12 2cr5 s LYS 98 Cb -0.43 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2cr5 s LYS 98 CO 0.47 -0.86 0.43 -2.00 -0.92 0.00 0.00 175.35 172.47 2cr5 s GLU 99 N -5.19 4.18 0.77 1.68 2.12 -1.26 -5.01 118.70 115.99 2cr5 s GLU 99 Ca 0.57 0.25 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 2cr5 s GLU 99 Cb -0.12 -3.54 0.06 0.00 0.26 0.00 0.00 34.13 30.78 2cr5 s GLU 99 CO 0.54 -0.07 1.08 -0.65 -0.54 0.00 0.00 175.26 175.62 2cr5 s GLN 100 N 1.40 2.27 -0.28 4.30 -1.52 -1.26 -5.07 119.66 119.49 2cr5 s GLN 100 Ca 0.20 0.95 -0.16 0.00 -1.95 0.00 0.00 55.36 54.41 2cr5 s GLN 100 Cb -0.15 -1.91 0.10 0.00 -0.22 0.00 0.00 33.01 30.82 2cr5 s GLN 100 CO 0.08 -1.57 0.75 0.45 -0.25 0.00 0.00 175.29 174.75 2cr5 s SER 101 N -3.61 -0.87 -0.92 5.90 0.15 -1.26 -5.10 113.70 107.99 2cr5 s SER 101 Ca 0.60 1.37 -0.22 0.00 0.70 0.00 0.00 55.95 58.41 2cr5 s SER 101 Cb -0.16 1.40 0.08 0.00 -1.71 0.00 0.00 66.02 65.63 2cr5 s SER 101 CO 0.56 -0.22 1.25 -0.55 1.20 0.00 0.00 173.24 175.48 2cr5 s SER 102 N 1.65 6.48 -0.04 5.45 0.15 -1.26 -4.95 113.70 121.17 2cr5 s SER 102 Ca -0.10 -1.53 -0.15 0.00 0.70 0.00 0.00 55.95 54.87 2cr5 s SER 102 Cb -0.05 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2cr5 s SER 102 CO -0.19 -1.36 0.35 -1.58 1.20 0.00 0.00 173.24 171.66 2cr5 s GLN 103 N 4.05 0.64 -0.04 5.44 -0.44 -1.26 -5.16 119.66 122.88 2cr5 s GLN 103 Ca 0.37 -0.01 0.05 0.00 -2.50 0.00 0.00 55.36 53.27 2cr5 s GLN 103 Cb -0.05 0.29 -0.02 0.00 -1.64 0.00 0.00 33.01 31.59 2cr5 s GLN 103 CO -0.05 -0.16 -0.17 -1.12 0.50 0.00 0.00 175.29 174.28 2cr5 s SER 104 N -0.98 3.79 0.00 6.67 0.01 -1.26 -5.00 113.70 116.93 2cr5 s SER 104 Ca -0.10 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2cr5 s SER 104 Cb -0.04 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.45 2cr5 s SER 104 CO 0.04 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2cr5 n GLY 105 N 2.35 -1.63 3.55 3.44 0.00 -1.26 -5.08 105.19 106.57 2cr5 n GLY 105 Ca -0.17 0.71 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.46 2.59 -0.64 1.61 0.04 -1.26 -4.86 135.00 132.94 2cr5 s PRO 106 Ca 0.00 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.22 2cr5 s PRO 106 Cb 0.00 -4.68 0.08 0.00 0.04 0.00 0.00 34.50 29.94 2cr5 s PRO 106 CO 0.00 -3.01 2.68 0.43 0.04 0.00 0.00 177.00 177.14 2cr5 n SER 107 N 13.28 6.82 -3.87 6.66 7.64 -1.26 -4.80 113.62 138.09 2cr5 n SER 107 Ca 0.29 -3.20 -0.24 0.00 1.01 0.00 0.00 58.87 56.73 2cr5 n SER 107 Cb 0.50 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.37 2cr5 n SER 107 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cr5 n SER 108 N 1.04 0.35 0.00 6.43 3.41 -1.26 -5.33 113.62 118.27 2cr5 n SER 108 Ca 0.52 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2cr5 n SER 108 Cb 0.48 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2cr5 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49